USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 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= -1.32! C(o=-0.86!,f=-3.9!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.467 K(o=-0.86,f=-1.8) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -158:sc= 0.795 (180deg=0.273) USER MOD Set 2.2: A 63 THR OG1 : rot -154:sc= -0.261 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.0244 K(o=0.19,f=-0.79) USER MOD Set 3.2: A 48 TYR OH : rot 86:sc= 0.167 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0717 (180deg=-0.465) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.144 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -140:sc= 0.324 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.21) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.0147 (180deg=-0.104) USER MOD Single : A 20 ASN : amide:sc= 0.627 K(o=0.63,f=-6.1!) USER MOD Single : A 21 ASN : amide:sc= -0.0171 K(o=-0.017,f=-2.1!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 160:sc= 0.815 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.149 USER MOD Single : A 53 TYR OH : rot -100:sc= 1.57 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.07) USER MOD Single : A 73 ASN : amide:sc= 0.201 X(o=0.2,f=-0.062) USER MOD Single : A 78 GLN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.9!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.282 -19.862 -12.525 1.00 24.00 N ATOM 2 CA MET A 1 6.604 -20.712 -13.669 1.00 41.00 C ATOM 3 C MET A 1 7.486 -19.956 -14.644 1.00 25.00 C ATOM 4 O MET A 1 8.036 -18.908 -14.307 1.00 23.00 O ATOM 5 CB MET A 1 5.327 -21.217 -14.371 1.00 20.00 C ATOM 6 CG MET A 1 4.563 -22.281 -13.595 1.00 51.00 C ATOM 7 SD MET A 1 3.119 -22.901 -14.489 1.00 44.00 S ATOM 8 CE MET A 1 3.901 -23.740 -15.876 1.00 4.00 C ATOM 0 H1 MET A 1 6.461 -20.384 -11.643 1.00 24.00 H new ATOM 0 H2 MET A 1 6.876 -19.009 -12.549 1.00 24.00 H new ATOM 0 H3 MET A 1 5.280 -19.588 -12.568 1.00 24.00 H new ATOM 0 HA MET A 1 7.145 -21.585 -13.304 1.00 41.00 H new ATOM 0 HB2 MET A 1 4.665 -20.369 -14.549 1.00 20.00 H new ATOM 0 HB3 MET A 1 5.598 -21.620 -15.347 1.00 20.00 H new ATOM 0 HG2 MET A 1 5.232 -23.113 -13.374 1.00 51.00 H new ATOM 0 HG3 MET A 1 4.242 -21.867 -12.639 1.00 51.00 H new ATOM 0 HE1 MET A 1 3.191 -24.430 -16.331 1.00 4.00 H new ATOM 0 HE2 MET A 1 4.217 -23.004 -16.615 1.00 4.00 H new ATOM 0 HE3 MET A 1 4.770 -24.295 -15.522 1.00 4.00 H new ATOM 18 N GLN A 2 7.654 -20.502 -15.830 1.00 13.00 N ATOM 19 CA GLN A 2 8.448 -19.881 -16.873 1.00 22.00 C ATOM 20 C GLN A 2 7.541 -19.349 -17.959 1.00 1.00 C ATOM 21 O GLN A 2 7.900 -19.313 -19.136 1.00 23.00 O ATOM 22 CB GLN A 2 9.438 -20.883 -17.456 1.00 53.00 C ATOM 23 CG GLN A 2 10.451 -21.372 -16.455 1.00 40.00 C ATOM 24 CD GLN A 2 11.525 -22.213 -17.084 1.00 41.00 C ATOM 25 OE1 GLN A 2 11.423 -23.440 -17.166 1.00 33.00 O ATOM 26 NE2 GLN A 2 12.553 -21.570 -17.548 1.00 74.00 N ATOM 0 H GLN A 2 7.242 -21.395 -16.101 1.00 13.00 H new ATOM 0 HA GLN A 2 9.010 -19.053 -16.442 1.00 22.00 H new ATOM 0 HB2 GLN A 2 8.889 -21.737 -17.853 1.00 53.00 H new ATOM 0 HB3 GLN A 2 9.960 -20.422 -18.295 1.00 53.00 H new ATOM 0 HG2 GLN A 2 10.909 -20.516 -15.959 1.00 40.00 H new ATOM 0 HG3 GLN A 2 9.944 -21.953 -15.685 1.00 40.00 H new ATOM 0 HE21 GLN A 2 12.601 -20.555 -17.461 1.00 74.00 H new ATOM 0 HE22 GLN A 2 13.312 -22.080 -17.999 1.00 74.00 H new ATOM 35 N THR A 3 6.380 -18.936 -17.562 1.00 12.00 N ATOM 36 CA THR A 3 5.417 -18.389 -18.468 1.00 61.00 C ATOM 37 C THR A 3 4.655 -17.271 -17.835 1.00 43.00 C ATOM 38 O THR A 3 4.390 -17.295 -16.619 1.00 4.00 O ATOM 39 CB THR A 3 4.436 -19.453 -18.955 1.00 11.00 C ATOM 40 OG1 THR A 3 4.511 -20.640 -18.124 1.00 32.00 O ATOM 41 CG2 THR A 3 4.708 -19.780 -20.391 1.00 24.00 C ATOM 0 H THR A 3 6.069 -18.969 -16.591 1.00 12.00 H new ATOM 0 HA THR A 3 5.973 -18.006 -19.324 1.00 61.00 H new ATOM 0 HB THR A 3 3.422 -19.060 -18.877 1.00 11.00 H new ATOM 0 HG1 THR A 3 3.874 -21.309 -18.451 1.00 32.00 H new ATOM 0 HG21 THR A 3 4.004 -20.540 -20.731 1.00 24.00 H new ATOM 0 HG22 THR A 3 4.593 -18.881 -20.997 1.00 24.00 H new ATOM 0 HG23 THR A 3 5.726 -20.157 -20.492 1.00 24.00 H new ATOM 49 N ASP A 4 4.332 -16.286 -18.623 1.00 14.00 N ATOM 50 CA ASP A 4 3.514 -15.199 -18.149 1.00 54.00 C ATOM 51 C ASP A 4 2.072 -15.525 -18.470 1.00 74.00 C ATOM 52 O ASP A 4 1.816 -16.473 -19.204 1.00 31.00 O ATOM 53 CB ASP A 4 3.913 -13.838 -18.758 1.00 71.00 C ATOM 54 CG ASP A 4 5.291 -13.355 -18.369 1.00 44.00 C ATOM 55 OD1 ASP A 4 6.290 -13.770 -19.003 1.00 33.00 O ATOM 56 OD2 ASP A 4 5.410 -12.502 -17.486 1.00 14.00 O ATOM 0 H ASP A 4 4.621 -16.210 -19.598 1.00 14.00 H new ATOM 0 HA ASP A 4 3.660 -15.098 -17.074 1.00 54.00 H new ATOM 0 HB2 ASP A 4 3.861 -13.912 -19.844 1.00 71.00 H new ATOM 0 HB3 ASP A 4 3.181 -13.090 -18.454 1.00 71.00 H new ATOM 61 N THR A 5 1.140 -14.774 -17.955 1.00 24.00 N ATOM 62 CA THR A 5 -0.254 -15.061 -18.207 1.00 63.00 C ATOM 63 C THR A 5 -1.067 -13.798 -18.158 1.00 55.00 C ATOM 64 O THR A 5 -0.660 -12.829 -17.562 1.00 63.00 O ATOM 65 CB THR A 5 -0.830 -16.109 -17.191 1.00 5.00 C ATOM 66 OG1 THR A 5 -2.239 -16.337 -17.440 1.00 42.00 O ATOM 67 CG2 THR A 5 -0.638 -15.653 -15.741 1.00 3.00 C ATOM 0 H THR A 5 1.312 -13.963 -17.361 1.00 24.00 H new ATOM 0 HA THR A 5 -0.320 -15.494 -19.205 1.00 63.00 H new ATOM 0 HB THR A 5 -0.278 -17.038 -17.337 1.00 5.00 H new ATOM 0 HG1 THR A 5 -2.714 -16.414 -16.586 1.00 42.00 H new ATOM 0 HG21 THR A 5 -1.049 -16.404 -15.066 1.00 3.00 H new ATOM 0 HG22 THR A 5 0.425 -15.525 -15.538 1.00 3.00 H new ATOM 0 HG23 THR A 5 -1.153 -14.705 -15.586 1.00 3.00 H new ATOM 75 N LEU A 6 -2.207 -13.799 -18.809 1.00 1.00 N ATOM 76 CA LEU A 6 -3.088 -12.715 -18.758 1.00 72.00 C ATOM 77 C LEU A 6 -3.813 -12.632 -17.422 1.00 61.00 C ATOM 78 O LEU A 6 -3.446 -13.329 -16.475 1.00 71.00 O ATOM 79 CB LEU A 6 -4.007 -12.727 -19.966 1.00 72.00 C ATOM 80 CG LEU A 6 -3.439 -11.959 -21.152 1.00 30.00 C ATOM 81 CD1 LEU A 6 -2.145 -12.522 -21.717 1.00 22.00 C ATOM 82 CD2 LEU A 6 -4.467 -11.621 -22.206 1.00 3.00 C ATOM 0 H LEU A 6 -2.529 -14.574 -19.389 1.00 1.00 H new ATOM 0 HA LEU A 6 -2.515 -11.790 -18.815 1.00 72.00 H new ATOM 0 HB2 LEU A 6 -4.193 -13.759 -20.264 1.00 72.00 H new ATOM 0 HB3 LEU A 6 -4.969 -12.297 -19.688 1.00 72.00 H new ATOM 0 HG LEU A 6 -3.142 -11.001 -20.725 1.00 30.00 H new ATOM 0 HD11 LEU A 6 -1.818 -11.910 -22.557 1.00 22.00 H new ATOM 0 HD12 LEU A 6 -1.377 -12.516 -20.943 1.00 22.00 H new ATOM 0 HD13 LEU A 6 -2.311 -13.545 -22.056 1.00 22.00 H new ATOM 0 HD21 LEU A 6 -3.989 -11.075 -23.019 1.00 3.00 H new ATOM 0 HD22 LEU A 6 -4.905 -12.540 -22.595 1.00 3.00 H new ATOM 0 HD23 LEU A 6 -5.250 -11.004 -21.766 1.00 3.00 H new ATOM 94 N GLU A 7 -4.877 -11.826 -17.356 1.00 72.00 N ATOM 95 CA GLU A 7 -5.510 -11.525 -16.113 1.00 54.00 C ATOM 96 C GLU A 7 -6.240 -12.773 -15.599 1.00 73.00 C ATOM 97 O GLU A 7 -6.601 -12.877 -14.427 1.00 35.00 O ATOM 98 CB GLU A 7 -6.528 -10.401 -16.304 1.00 50.00 C ATOM 99 CG GLU A 7 -7.082 -9.931 -14.984 1.00 20.00 C ATOM 100 CD GLU A 7 -8.067 -8.824 -15.095 1.00 71.00 C ATOM 101 OE1 GLU A 7 -7.658 -7.693 -15.301 1.00 61.00 O ATOM 102 OE2 GLU A 7 -9.263 -9.063 -14.942 1.00 65.00 O ATOM 0 H GLU A 7 -5.304 -11.378 -18.167 1.00 72.00 H new ATOM 0 HA GLU A 7 -4.752 -11.211 -15.395 1.00 54.00 H new ATOM 0 HB2 GLU A 7 -6.057 -9.565 -16.821 1.00 50.00 H new ATOM 0 HB3 GLU A 7 -7.343 -10.750 -16.939 1.00 50.00 H new ATOM 0 HG2 GLU A 7 -7.555 -10.774 -14.481 1.00 20.00 H new ATOM 0 HG3 GLU A 7 -6.256 -9.605 -14.352 1.00 20.00 H new ATOM 109 N TYR A 8 -6.428 -13.729 -16.533 1.00 1.00 N ATOM 110 CA TYR A 8 -7.179 -14.948 -16.372 1.00 10.00 C ATOM 111 C TYR A 8 -8.600 -14.749 -15.907 1.00 55.00 C ATOM 112 O TYR A 8 -9.282 -15.679 -15.509 1.00 50.00 O ATOM 113 CB TYR A 8 -6.427 -16.112 -15.695 1.00 41.00 C ATOM 114 CG TYR A 8 -5.811 -15.851 -14.335 1.00 50.00 C ATOM 115 CD1 TYR A 8 -6.573 -15.900 -13.178 1.00 13.00 C ATOM 116 CD2 TYR A 8 -4.452 -15.575 -14.215 1.00 60.00 C ATOM 117 CE1 TYR A 8 -6.002 -15.679 -11.942 1.00 32.00 C ATOM 118 CE2 TYR A 8 -3.874 -15.350 -12.984 1.00 41.00 C ATOM 119 CZ TYR A 8 -4.651 -15.404 -11.851 1.00 60.00 C ATOM 120 OH TYR A 8 -4.075 -15.197 -10.613 1.00 73.00 O ATOM 0 H TYR A 8 -6.028 -13.646 -17.467 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.286 -15.308 -17.395 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -7.120 -16.947 -15.595 1.00 41.00 H new ATOM 0 HB3 TYR A 8 -5.632 -16.435 -16.368 1.00 41.00 H new ATOM 0 HD1 TYR A 8 -7.629 -16.114 -13.245 1.00 13.00 H new ATOM 0 HD2 TYR A 8 -3.839 -15.536 -15.103 1.00 60.00 H new ATOM 0 HE1 TYR A 8 -6.608 -15.721 -11.049 1.00 32.00 H new ATOM 0 HE2 TYR A 8 -2.819 -15.133 -12.910 1.00 41.00 H new ATOM 0 HH TYR A 8 -3.118 -15.017 -10.723 1.00 73.00 H new ATOM 130 N GLN A 9 -9.069 -13.564 -16.136 1.00 71.00 N ATOM 131 CA GLN A 9 -10.347 -13.114 -15.774 1.00 12.00 C ATOM 132 C GLN A 9 -10.678 -12.097 -16.766 1.00 20.00 C ATOM 133 O GLN A 9 -9.984 -11.102 -16.903 1.00 10.00 O ATOM 134 CB GLN A 9 -10.389 -12.498 -14.376 1.00 22.00 C ATOM 135 CG GLN A 9 -10.207 -13.490 -13.263 1.00 43.00 C ATOM 136 CD GLN A 9 -10.363 -12.856 -11.904 1.00 52.00 C ATOM 137 OE1 GLN A 9 -11.468 -12.805 -11.357 1.00 10.00 O ATOM 138 NE2 GLN A 9 -9.282 -12.368 -11.348 1.00 43.00 N ATOM 0 H GLN A 9 -8.521 -12.848 -16.614 1.00 71.00 H new ATOM 0 HA GLN A 9 -11.049 -13.947 -15.749 1.00 12.00 H new ATOM 0 HB2 GLN A 9 -9.611 -11.738 -14.302 1.00 22.00 H new ATOM 0 HB3 GLN A 9 -11.344 -11.990 -14.243 1.00 22.00 H new ATOM 0 HG2 GLN A 9 -10.935 -14.294 -13.373 1.00 43.00 H new ATOM 0 HG3 GLN A 9 -9.218 -13.942 -13.340 1.00 43.00 H new ATOM 0 HE21 GLN A 9 -8.387 -12.430 -11.833 1.00 43.00 H new ATOM 0 HE22 GLN A 9 -9.336 -11.926 -10.430 1.00 43.00 H new ATOM 147 N CYS A 10 -11.618 -12.385 -17.518 1.00 73.00 N ATOM 148 CA CYS A 10 -12.057 -11.494 -18.527 1.00 43.00 C ATOM 149 C CYS A 10 -13.535 -11.320 -18.382 1.00 23.00 C ATOM 150 O CYS A 10 -14.182 -12.105 -17.692 1.00 73.00 O ATOM 151 CB CYS A 10 -11.712 -12.053 -19.895 1.00 34.00 C ATOM 152 SG CYS A 10 -9.956 -12.191 -20.293 1.00 62.00 S ATOM 0 H CYS A 10 -12.137 -13.262 -17.473 1.00 73.00 H new ATOM 0 HA CYS A 10 -11.563 -10.528 -18.426 1.00 43.00 H new ATOM 0 HB2 CYS A 10 -12.160 -13.043 -19.981 1.00 34.00 H new ATOM 0 HB3 CYS A 10 -12.184 -11.423 -20.649 1.00 34.00 H new ATOM 157 N ASP A 11 -14.080 -10.325 -19.027 1.00 54.00 N ATOM 158 CA ASP A 11 -15.507 -10.037 -18.923 1.00 65.00 C ATOM 159 C ASP A 11 -16.333 -11.124 -19.581 1.00 51.00 C ATOM 160 O ASP A 11 -17.438 -11.443 -19.133 1.00 3.00 O ATOM 161 CB ASP A 11 -15.813 -8.675 -19.552 1.00 42.00 C ATOM 162 CG ASP A 11 -17.291 -8.328 -19.607 1.00 33.00 C ATOM 163 OD1 ASP A 11 -17.805 -7.721 -18.652 1.00 31.00 O ATOM 164 OD2 ASP A 11 -17.950 -8.617 -20.631 1.00 14.00 O ATOM 0 H ASP A 11 -13.565 -9.690 -19.636 1.00 54.00 H new ATOM 0 HA ASP A 11 -15.775 -10.008 -17.867 1.00 65.00 H new ATOM 0 HB2 ASP A 11 -15.291 -7.902 -18.988 1.00 42.00 H new ATOM 0 HB3 ASP A 11 -15.410 -8.657 -20.565 1.00 42.00 H new ATOM 169 N GLU A 12 -15.763 -11.743 -20.584 1.00 73.00 N ATOM 170 CA GLU A 12 -16.471 -12.700 -21.364 1.00 3.00 C ATOM 171 C GLU A 12 -16.253 -14.138 -20.880 1.00 30.00 C ATOM 172 O GLU A 12 -17.207 -14.932 -20.809 1.00 71.00 O ATOM 173 CB GLU A 12 -16.109 -12.483 -22.835 1.00 72.00 C ATOM 174 CG GLU A 12 -16.802 -13.381 -23.830 1.00 11.00 C ATOM 175 CD GLU A 12 -16.902 -12.723 -25.180 1.00 13.00 C ATOM 176 OE1 GLU A 12 -15.866 -12.341 -25.749 1.00 22.00 O ATOM 177 OE2 GLU A 12 -18.047 -12.517 -25.661 1.00 10.00 O ATOM 0 H GLU A 12 -14.797 -11.591 -20.874 1.00 73.00 H new ATOM 0 HA GLU A 12 -17.544 -12.548 -21.245 1.00 3.00 H new ATOM 0 HB2 GLU A 12 -16.332 -11.448 -23.094 1.00 72.00 H new ATOM 0 HB3 GLU A 12 -15.033 -12.614 -22.946 1.00 72.00 H new ATOM 0 HG2 GLU A 12 -16.255 -14.319 -23.920 1.00 11.00 H new ATOM 0 HG3 GLU A 12 -17.800 -13.627 -23.468 1.00 11.00 H new ATOM 184 N LYS A 13 -15.031 -14.460 -20.502 1.00 74.00 N ATOM 185 CA LYS A 13 -14.653 -15.825 -20.104 1.00 60.00 C ATOM 186 C LYS A 13 -13.401 -15.680 -19.270 1.00 63.00 C ATOM 187 O LYS A 13 -12.837 -14.610 -19.261 1.00 30.00 O ATOM 188 CB LYS A 13 -14.260 -16.699 -21.338 1.00 14.00 C ATOM 189 CG LYS A 13 -15.085 -16.505 -22.600 1.00 23.00 C ATOM 190 CD LYS A 13 -14.821 -17.594 -23.639 1.00 61.00 C ATOM 191 CE LYS A 13 -15.313 -18.961 -23.187 1.00 33.00 C ATOM 192 NZ LYS A 13 -15.116 -19.994 -24.223 1.00 24.00 N ATOM 0 H LYS A 13 -14.263 -13.790 -20.458 1.00 74.00 H new ATOM 0 HA LYS A 13 -15.489 -16.297 -19.587 1.00 60.00 H new ATOM 0 HB2 LYS A 13 -13.216 -16.498 -21.579 1.00 14.00 H new ATOM 0 HB3 LYS A 13 -14.324 -17.748 -21.047 1.00 14.00 H new ATOM 0 HG2 LYS A 13 -16.144 -16.501 -22.342 1.00 23.00 H new ATOM 0 HG3 LYS A 13 -14.859 -15.531 -23.033 1.00 23.00 H new ATOM 0 HD2 LYS A 13 -15.312 -17.326 -24.575 1.00 61.00 H new ATOM 0 HD3 LYS A 13 -13.752 -17.645 -23.843 1.00 61.00 H new ATOM 0 HE2 LYS A 13 -14.785 -19.254 -22.279 1.00 33.00 H new ATOM 0 HE3 LYS A 13 -16.371 -18.899 -22.934 1.00 33.00 H new ATOM 0 HZ1 LYS A 13 -15.707 -20.821 -24.005 1.00 24.00 H new ATOM 0 HZ2 LYS A 13 -15.385 -19.610 -25.151 1.00 24.00 H new ATOM 0 HZ3 LYS A 13 -14.116 -20.279 -24.243 1.00 24.00 H new ATOM 206 N PRO A 14 -12.956 -16.691 -18.538 1.00 11.00 N ATOM 207 CA PRO A 14 -11.646 -16.633 -17.912 1.00 64.00 C ATOM 208 C PRO A 14 -10.566 -16.922 -18.984 1.00 34.00 C ATOM 209 O PRO A 14 -10.810 -17.721 -19.908 1.00 13.00 O ATOM 210 CB PRO A 14 -11.684 -17.746 -16.848 1.00 0.00 C ATOM 211 CG PRO A 14 -13.098 -18.257 -16.845 1.00 12.00 C ATOM 212 CD PRO A 14 -13.672 -17.923 -18.192 1.00 52.00 C ATOM 0 HA PRO A 14 -11.412 -15.664 -17.471 1.00 64.00 H new ATOM 0 HB2 PRO A 14 -10.980 -18.543 -17.089 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.405 -17.360 -15.868 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.122 -19.332 -16.668 1.00 12.00 H new ATOM 0 HG3 PRO A 14 -13.678 -17.790 -16.049 1.00 12.00 H new ATOM 0 HD2 PRO A 14 -13.493 -18.716 -18.919 1.00 52.00 H new ATOM 0 HD3 PRO A 14 -14.750 -17.769 -18.148 1.00 52.00 H new ATOM 220 N LEU A 15 -9.393 -16.304 -18.879 1.00 24.00 N ATOM 221 CA LEU A 15 -8.397 -16.454 -19.919 1.00 60.00 C ATOM 222 C LEU A 15 -7.013 -16.574 -19.359 1.00 71.00 C ATOM 223 O LEU A 15 -6.346 -15.558 -19.083 1.00 72.00 O ATOM 224 CB LEU A 15 -8.417 -15.273 -20.865 1.00 45.00 C ATOM 225 CG LEU A 15 -7.377 -15.319 -21.992 1.00 63.00 C ATOM 226 CD1 LEU A 15 -7.628 -16.488 -22.928 1.00 33.00 C ATOM 227 CD2 LEU A 15 -7.329 -14.018 -22.757 1.00 64.00 C ATOM 0 H LEU A 15 -9.118 -15.708 -18.099 1.00 24.00 H new ATOM 0 HA LEU A 15 -8.651 -17.371 -20.452 1.00 60.00 H new ATOM 0 HB2 LEU A 15 -9.409 -15.202 -21.311 1.00 45.00 H new ATOM 0 HB3 LEU A 15 -8.262 -14.362 -20.287 1.00 45.00 H new ATOM 0 HG LEU A 15 -6.403 -15.465 -21.526 1.00 63.00 H new ATOM 0 HD11 LEU A 15 -6.874 -16.492 -23.715 1.00 33.00 H new ATOM 0 HD12 LEU A 15 -7.573 -17.421 -22.368 1.00 33.00 H new ATOM 0 HD13 LEU A 15 -8.618 -16.391 -23.374 1.00 33.00 H new ATOM 0 HD21 LEU A 15 -6.581 -14.088 -23.547 1.00 64.00 H new ATOM 0 HD22 LEU A 15 -8.306 -13.819 -23.198 1.00 64.00 H new ATOM 0 HD23 LEU A 15 -7.065 -13.207 -22.079 1.00 64.00 H new ATOM 239 N THR A 16 -6.586 -17.754 -19.154 1.00 40.00 N ATOM 240 CA THR A 16 -5.263 -17.951 -18.719 1.00 40.00 C ATOM 241 C THR A 16 -4.417 -18.192 -19.969 1.00 44.00 C ATOM 242 O THR A 16 -4.846 -18.919 -20.885 1.00 34.00 O ATOM 243 CB THR A 16 -5.177 -19.143 -17.761 1.00 22.00 C ATOM 244 OG1 THR A 16 -6.360 -19.162 -16.937 1.00 4.00 O ATOM 245 CG2 THR A 16 -3.974 -18.980 -16.856 1.00 44.00 C ATOM 0 H THR A 16 -7.135 -18.604 -19.281 1.00 40.00 H new ATOM 0 HA THR A 16 -4.901 -17.081 -18.171 1.00 40.00 H new ATOM 0 HB THR A 16 -5.090 -20.065 -18.336 1.00 22.00 H new ATOM 0 HG1 THR A 16 -6.317 -19.922 -16.320 1.00 4.00 H new ATOM 0 HG21 THR A 16 -3.914 -19.829 -16.175 1.00 44.00 H new ATOM 0 HG22 THR A 16 -3.068 -18.934 -17.460 1.00 44.00 H new ATOM 0 HG23 THR A 16 -4.073 -18.059 -16.281 1.00 44.00 H new ATOM 253 N VAL A 17 -3.264 -17.576 -20.030 1.00 11.00 N ATOM 254 CA VAL A 17 -2.422 -17.641 -21.207 1.00 60.00 C ATOM 255 C VAL A 17 -1.046 -18.070 -20.800 1.00 53.00 C ATOM 256 O VAL A 17 -0.641 -17.842 -19.687 1.00 43.00 O ATOM 257 CB VAL A 17 -2.337 -16.243 -21.929 1.00 61.00 C ATOM 258 CG1 VAL A 17 -1.392 -16.261 -23.146 1.00 50.00 C ATOM 259 CG2 VAL A 17 -3.720 -15.780 -22.356 1.00 10.00 C ATOM 0 H VAL A 17 -2.879 -17.015 -19.270 1.00 11.00 H new ATOM 0 HA VAL A 17 -2.857 -18.359 -21.903 1.00 60.00 H new ATOM 0 HB VAL A 17 -1.923 -15.541 -21.205 1.00 61.00 H new ATOM 0 HG11 VAL A 17 -1.371 -15.273 -23.605 1.00 50.00 H new ATOM 0 HG12 VAL A 17 -0.387 -16.532 -22.822 1.00 50.00 H new ATOM 0 HG13 VAL A 17 -1.748 -16.991 -23.873 1.00 50.00 H new ATOM 0 HG21 VAL A 17 -3.643 -14.813 -22.853 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -4.151 -16.508 -23.043 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -4.360 -15.687 -21.478 1.00 10.00 H new ATOM 269 N LYS A 18 -0.371 -18.742 -21.669 1.00 11.00 N ATOM 270 CA LYS A 18 0.972 -19.076 -21.458 1.00 60.00 C ATOM 271 C LYS A 18 1.783 -18.191 -22.339 1.00 20.00 C ATOM 272 O LYS A 18 2.026 -18.508 -23.502 1.00 11.00 O ATOM 273 CB LYS A 18 1.275 -20.567 -21.721 1.00 33.00 C ATOM 274 CG LYS A 18 0.776 -21.561 -20.649 1.00 51.00 C ATOM 275 CD LYS A 18 -0.739 -21.554 -20.463 1.00 22.00 C ATOM 276 CE LYS A 18 -1.197 -22.566 -19.420 1.00 12.00 C ATOM 277 NZ LYS A 18 -0.609 -22.326 -18.073 1.00 64.00 N ATOM 0 H LYS A 18 -0.754 -19.074 -22.554 1.00 11.00 H new ATOM 0 HA LYS A 18 1.223 -18.923 -20.408 1.00 60.00 H new ATOM 0 HB2 LYS A 18 0.832 -20.844 -22.678 1.00 33.00 H new ATOM 0 HB3 LYS A 18 2.354 -20.685 -21.823 1.00 33.00 H new ATOM 0 HG2 LYS A 18 1.095 -22.567 -20.922 1.00 51.00 H new ATOM 0 HG3 LYS A 18 1.251 -21.324 -19.697 1.00 51.00 H new ATOM 0 HD2 LYS A 18 -1.062 -20.557 -20.165 1.00 22.00 H new ATOM 0 HD3 LYS A 18 -1.221 -21.774 -21.416 1.00 22.00 H new ATOM 0 HE2 LYS A 18 -2.284 -22.535 -19.346 1.00 12.00 H new ATOM 0 HE3 LYS A 18 -0.929 -23.569 -19.753 1.00 12.00 H new ATOM 0 HZ1 LYS A 18 -1.059 -22.958 -17.380 1.00 64.00 H new ATOM 0 HZ2 LYS A 18 0.413 -22.515 -18.102 1.00 64.00 H new ATOM 0 HZ3 LYS A 18 -0.770 -21.337 -17.795 1.00 64.00 H new ATOM 291 N LEU A 19 2.064 -17.023 -21.835 1.00 32.00 N ATOM 292 CA LEU A 19 2.887 -16.089 -22.519 1.00 25.00 C ATOM 293 C LEU A 19 4.277 -16.517 -22.372 1.00 34.00 C ATOM 294 O LEU A 19 4.883 -16.394 -21.305 1.00 45.00 O ATOM 295 CB LEU A 19 2.718 -14.671 -22.012 1.00 54.00 C ATOM 296 CG LEU A 19 1.645 -13.825 -22.678 1.00 60.00 C ATOM 297 CD1 LEU A 19 1.482 -12.537 -21.913 1.00 32.00 C ATOM 298 CD2 LEU A 19 2.053 -13.505 -24.108 1.00 22.00 C ATOM 0 H LEU A 19 1.722 -16.698 -20.931 1.00 32.00 H new ATOM 0 HA LEU A 19 2.590 -16.072 -23.568 1.00 25.00 H new ATOM 0 HB2 LEU A 19 2.500 -14.716 -20.945 1.00 54.00 H new ATOM 0 HB3 LEU A 19 3.672 -14.156 -22.121 1.00 54.00 H new ATOM 0 HG LEU A 19 0.705 -14.377 -22.684 1.00 60.00 H new ATOM 0 HD11 LEU A 19 0.713 -11.927 -22.387 1.00 32.00 H new ATOM 0 HD12 LEU A 19 1.188 -12.758 -20.887 1.00 32.00 H new ATOM 0 HD13 LEU A 19 2.427 -11.993 -21.911 1.00 32.00 H new ATOM 0 HD21 LEU A 19 1.280 -12.899 -24.580 1.00 22.00 H new ATOM 0 HD22 LEU A 19 2.994 -12.954 -24.103 1.00 22.00 H new ATOM 0 HD23 LEU A 19 2.178 -14.432 -24.667 1.00 22.00 H new ATOM 310 N ASN A 20 4.769 -17.048 -23.405 1.00 13.00 N ATOM 311 CA ASN A 20 6.100 -17.567 -23.401 1.00 62.00 C ATOM 312 C ASN A 20 7.069 -16.377 -23.396 1.00 13.00 C ATOM 313 O ASN A 20 6.743 -15.331 -23.945 1.00 1.00 O ATOM 314 CB ASN A 20 6.292 -18.440 -24.639 1.00 45.00 C ATOM 315 CG ASN A 20 7.443 -19.424 -24.525 1.00 65.00 C ATOM 316 OD1 ASN A 20 8.433 -19.169 -23.841 1.00 53.00 O ATOM 317 ND2 ASN A 20 7.312 -20.566 -25.160 1.00 75.00 N ATOM 0 H ASN A 20 4.275 -17.146 -24.292 1.00 13.00 H new ATOM 0 HA ASN A 20 6.289 -18.182 -22.522 1.00 62.00 H new ATOM 0 HB2 ASN A 20 5.372 -18.993 -24.828 1.00 45.00 H new ATOM 0 HB3 ASN A 20 6.461 -17.797 -25.503 1.00 45.00 H new ATOM 0 HD21 ASN A 20 8.044 -21.273 -25.094 1.00 75.00 H new ATOM 0 HD22 ASN A 20 6.478 -20.746 -25.719 1.00 75.00 H new ATOM 324 N ASN A 21 8.225 -16.538 -22.763 1.00 32.00 N ATOM 325 CA ASN A 21 9.224 -15.455 -22.580 1.00 73.00 C ATOM 326 C ASN A 21 9.573 -14.681 -23.856 1.00 13.00 C ATOM 327 O ASN A 21 9.505 -13.454 -23.846 1.00 21.00 O ATOM 328 CB ASN A 21 10.506 -15.929 -21.864 1.00 1.00 C ATOM 329 CG ASN A 21 10.286 -16.323 -20.421 1.00 52.00 C ATOM 330 OD1 ASN A 21 9.226 -16.813 -20.056 1.00 30.00 O ATOM 331 ND2 ASN A 21 11.272 -16.091 -19.591 1.00 31.00 N ATOM 0 H ASN A 21 8.512 -17.427 -22.353 1.00 32.00 H new ATOM 0 HA ASN A 21 8.712 -14.749 -21.927 1.00 73.00 H new ATOM 0 HB2 ASN A 21 10.920 -16.780 -22.405 1.00 1.00 H new ATOM 0 HB3 ASN A 21 11.250 -15.133 -21.905 1.00 1.00 H new ATOM 0 HD21 ASN A 21 11.171 -16.320 -18.602 1.00 31.00 H new ATOM 0 HD22 ASN A 21 12.141 -15.681 -19.933 1.00 31.00 H new ATOM 338 N PRO A 22 9.931 -15.358 -25.001 1.00 20.00 N ATOM 339 CA PRO A 22 10.230 -14.650 -26.264 1.00 53.00 C ATOM 340 C PRO A 22 8.990 -13.958 -26.836 1.00 31.00 C ATOM 341 O PRO A 22 9.091 -13.100 -27.707 1.00 3.00 O ATOM 342 CB PRO A 22 10.664 -15.780 -27.214 1.00 2.00 C ATOM 343 CG PRO A 22 11.047 -16.904 -26.330 1.00 62.00 C ATOM 344 CD PRO A 22 10.136 -16.817 -25.156 1.00 22.00 C ATOM 0 HA PRO A 22 10.978 -13.870 -26.124 1.00 53.00 H new ATOM 0 HB2 PRO A 22 9.853 -16.065 -27.884 1.00 2.00 H new ATOM 0 HB3 PRO A 22 11.500 -15.469 -27.840 1.00 2.00 H new ATOM 0 HG2 PRO A 22 10.937 -17.860 -26.842 1.00 62.00 H new ATOM 0 HG3 PRO A 22 12.090 -16.824 -26.024 1.00 62.00 H new ATOM 0 HD2 PRO A 22 9.196 -17.340 -25.335 1.00 22.00 H new ATOM 0 HD3 PRO A 22 10.582 -17.259 -24.265 1.00 22.00 H new ATOM 352 N ARG A 23 7.821 -14.347 -26.310 1.00 33.00 N ATOM 353 CA ARG A 23 6.518 -13.860 -26.748 1.00 13.00 C ATOM 354 C ARG A 23 6.278 -14.077 -28.197 1.00 61.00 C ATOM 355 O ARG A 23 5.765 -13.225 -28.910 1.00 64.00 O ATOM 356 CB ARG A 23 6.247 -12.446 -26.340 1.00 60.00 C ATOM 357 CG ARG A 23 5.910 -12.324 -24.888 1.00 2.00 C ATOM 358 CD ARG A 23 5.463 -10.915 -24.570 1.00 11.00 C ATOM 359 NE ARG A 23 4.333 -10.512 -25.424 1.00 3.00 N ATOM 360 CZ ARG A 23 3.826 -9.278 -25.517 1.00 34.00 C ATOM 361 NH1 ARG A 23 4.303 -8.284 -24.767 1.00 73.00 N ATOM 362 NH2 ARG A 23 2.846 -9.049 -26.379 1.00 15.00 N ATOM 0 H ARG A 23 7.760 -15.025 -25.551 1.00 33.00 H new ATOM 0 HA ARG A 23 5.791 -14.474 -26.216 1.00 13.00 H new ATOM 0 HB2 ARG A 23 7.122 -11.834 -26.559 1.00 60.00 H new ATOM 0 HB3 ARG A 23 5.424 -12.051 -26.935 1.00 60.00 H new ATOM 0 HG2 ARG A 23 5.121 -13.030 -24.630 1.00 2.00 H new ATOM 0 HG3 ARG A 23 6.779 -12.582 -24.283 1.00 2.00 H new ATOM 0 HD2 ARG A 23 5.172 -10.850 -23.522 1.00 11.00 H new ATOM 0 HD3 ARG A 23 6.295 -10.225 -24.713 1.00 11.00 H new ATOM 0 HE ARG A 23 3.899 -11.238 -25.995 1.00 3.00 H new ATOM 0 HH11 ARG A 23 5.065 -8.460 -24.112 1.00 73.00 H new ATOM 0 HH12 ARG A 23 3.906 -7.348 -24.849 1.00 73.00 H new ATOM 0 HH21 ARG A 23 2.489 -9.808 -26.959 1.00 15.00 H new ATOM 0 HH22 ARG A 23 2.448 -8.113 -26.462 1.00 15.00 H new ATOM 376 N GLN A 24 6.644 -15.227 -28.612 1.00 32.00 N ATOM 377 CA GLN A 24 6.419 -15.666 -29.928 1.00 55.00 C ATOM 378 C GLN A 24 5.370 -16.757 -29.913 1.00 72.00 C ATOM 379 O GLN A 24 4.994 -17.280 -30.948 1.00 33.00 O ATOM 380 CB GLN A 24 7.716 -16.147 -30.569 1.00 21.00 C ATOM 381 CG GLN A 24 8.750 -15.046 -30.749 1.00 75.00 C ATOM 382 CD GLN A 24 10.050 -15.557 -31.320 1.00 45.00 C ATOM 383 OE1 GLN A 24 10.970 -15.927 -30.589 1.00 4.00 O ATOM 384 NE2 GLN A 24 10.133 -15.609 -32.609 1.00 11.00 N ATOM 0 H GLN A 24 7.124 -15.909 -28.025 1.00 32.00 H new ATOM 0 HA GLN A 24 6.054 -14.835 -30.532 1.00 55.00 H new ATOM 0 HB2 GLN A 24 8.144 -16.939 -29.954 1.00 21.00 H new ATOM 0 HB3 GLN A 24 7.491 -16.585 -31.541 1.00 21.00 H new ATOM 0 HG2 GLN A 24 8.346 -14.277 -31.408 1.00 75.00 H new ATOM 0 HG3 GLN A 24 8.942 -14.572 -29.786 1.00 75.00 H new ATOM 0 HE21 GLN A 24 9.351 -15.294 -33.184 1.00 11.00 H new ATOM 0 HE22 GLN A 24 10.980 -15.965 -33.052 1.00 11.00 H new ATOM 393 N GLU A 25 4.863 -17.049 -28.722 1.00 71.00 N ATOM 394 CA GLU A 25 3.915 -18.119 -28.523 1.00 41.00 C ATOM 395 C GLU A 25 3.036 -17.832 -27.310 1.00 40.00 C ATOM 396 O GLU A 25 3.500 -17.251 -26.310 1.00 42.00 O ATOM 397 CB GLU A 25 4.661 -19.442 -28.302 1.00 60.00 C ATOM 398 CG GLU A 25 3.761 -20.639 -28.034 1.00 51.00 C ATOM 399 CD GLU A 25 4.532 -21.864 -27.638 1.00 1.00 C ATOM 400 OE1 GLU A 25 5.156 -21.862 -26.544 1.00 20.00 O ATOM 401 OE2 GLU A 25 4.516 -22.865 -28.385 1.00 71.00 O ATOM 0 H GLU A 25 5.103 -16.544 -27.869 1.00 71.00 H new ATOM 0 HA GLU A 25 3.287 -18.194 -29.411 1.00 41.00 H new ATOM 0 HB2 GLU A 25 5.270 -19.652 -29.181 1.00 60.00 H new ATOM 0 HB3 GLU A 25 5.345 -19.323 -27.461 1.00 60.00 H new ATOM 0 HG2 GLU A 25 3.054 -20.388 -27.243 1.00 51.00 H new ATOM 0 HG3 GLU A 25 3.176 -20.856 -28.927 1.00 51.00 H new ATOM 408 N VAL A 26 1.787 -18.189 -27.440 1.00 63.00 N ATOM 409 CA VAL A 26 0.796 -18.159 -26.373 1.00 5.00 C ATOM 410 C VAL A 26 0.059 -19.460 -26.382 1.00 23.00 C ATOM 411 O VAL A 26 -0.057 -20.114 -27.411 1.00 35.00 O ATOM 412 CB VAL A 26 -0.262 -17.023 -26.527 1.00 44.00 C ATOM 413 CG1 VAL A 26 0.358 -15.654 -26.414 1.00 70.00 C ATOM 414 CG2 VAL A 26 -1.052 -17.152 -27.822 1.00 23.00 C ATOM 0 H VAL A 26 1.406 -18.524 -28.325 1.00 63.00 H new ATOM 0 HA VAL A 26 1.340 -17.979 -25.446 1.00 5.00 H new ATOM 0 HB VAL A 26 -0.961 -17.140 -25.698 1.00 44.00 H new ATOM 0 HG11 VAL A 26 -0.415 -14.894 -26.527 1.00 70.00 H new ATOM 0 HG12 VAL A 26 0.831 -15.548 -25.438 1.00 70.00 H new ATOM 0 HG13 VAL A 26 1.108 -15.528 -27.195 1.00 70.00 H new ATOM 0 HG21 VAL A 26 -1.777 -16.341 -27.888 1.00 23.00 H new ATOM 0 HG22 VAL A 26 -0.370 -17.099 -28.671 1.00 23.00 H new ATOM 0 HG23 VAL A 26 -1.575 -18.108 -27.835 1.00 23.00 H new ATOM 424 N SER A 27 -0.381 -19.857 -25.264 1.00 35.00 N ATOM 425 CA SER A 27 -1.228 -20.981 -25.151 1.00 15.00 C ATOM 426 C SER A 27 -2.342 -20.570 -24.239 1.00 35.00 C ATOM 427 O SER A 27 -2.091 -20.174 -23.124 1.00 64.00 O ATOM 428 CB SER A 27 -0.468 -22.187 -24.600 1.00 14.00 C ATOM 429 OG SER A 27 0.762 -22.377 -25.314 1.00 43.00 O ATOM 0 H SER A 27 -0.163 -19.406 -24.376 1.00 35.00 H new ATOM 0 HA SER A 27 -1.614 -21.289 -26.123 1.00 15.00 H new ATOM 0 HB2 SER A 27 -0.261 -22.040 -23.540 1.00 14.00 H new ATOM 0 HB3 SER A 27 -1.085 -23.082 -24.683 1.00 14.00 H new ATOM 0 HG SER A 27 1.237 -23.152 -24.947 1.00 43.00 H new ATOM 435 N PHE A 28 -3.538 -20.592 -24.709 1.00 74.00 N ATOM 436 CA PHE A 28 -4.621 -20.116 -23.910 1.00 30.00 C ATOM 437 C PHE A 28 -5.733 -21.115 -23.861 1.00 64.00 C ATOM 438 O PHE A 28 -5.808 -22.043 -24.689 1.00 62.00 O ATOM 439 CB PHE A 28 -5.129 -18.727 -24.362 1.00 55.00 C ATOM 440 CG PHE A 28 -5.860 -18.679 -25.685 1.00 12.00 C ATOM 441 CD1 PHE A 28 -7.223 -18.956 -25.753 1.00 5.00 C ATOM 442 CD2 PHE A 28 -5.201 -18.338 -26.843 1.00 12.00 C ATOM 443 CE1 PHE A 28 -7.900 -18.900 -26.949 1.00 32.00 C ATOM 444 CE2 PHE A 28 -5.880 -18.276 -28.042 1.00 3.00 C ATOM 445 CZ PHE A 28 -7.226 -18.559 -28.096 1.00 53.00 C ATOM 0 H PHE A 28 -3.795 -20.931 -25.636 1.00 74.00 H new ATOM 0 HA PHE A 28 -4.234 -19.989 -22.899 1.00 30.00 H new ATOM 0 HB2 PHE A 28 -5.793 -18.338 -23.590 1.00 55.00 H new ATOM 0 HB3 PHE A 28 -4.275 -18.052 -24.418 1.00 55.00 H new ATOM 0 HD1 PHE A 28 -7.757 -19.219 -24.852 1.00 5.00 H new ATOM 0 HD2 PHE A 28 -4.144 -18.117 -26.813 1.00 12.00 H new ATOM 0 HE1 PHE A 28 -8.956 -19.123 -26.986 1.00 32.00 H new ATOM 0 HE2 PHE A 28 -5.352 -18.004 -28.944 1.00 3.00 H new ATOM 0 HZ PHE A 28 -7.751 -18.513 -29.039 1.00 53.00 H new ATOM 455 N VAL A 29 -6.580 -20.922 -22.920 1.00 75.00 N ATOM 456 CA VAL A 29 -7.675 -21.776 -22.684 1.00 23.00 C ATOM 457 C VAL A 29 -8.926 -21.239 -23.384 1.00 3.00 C ATOM 458 O VAL A 29 -9.481 -20.190 -23.049 1.00 72.00 O ATOM 459 CB VAL A 29 -7.887 -22.048 -21.151 1.00 75.00 C ATOM 460 CG1 VAL A 29 -8.227 -20.795 -20.349 1.00 51.00 C ATOM 461 CG2 VAL A 29 -8.888 -23.166 -20.916 1.00 61.00 C ATOM 0 H VAL A 29 -6.525 -20.136 -22.272 1.00 75.00 H new ATOM 0 HA VAL A 29 -7.458 -22.751 -23.120 1.00 23.00 H new ATOM 0 HB VAL A 29 -6.922 -22.382 -20.769 1.00 75.00 H new ATOM 0 HG11 VAL A 29 -8.359 -21.059 -19.300 1.00 51.00 H new ATOM 0 HG12 VAL A 29 -7.416 -20.072 -20.442 1.00 51.00 H new ATOM 0 HG13 VAL A 29 -9.149 -20.357 -20.732 1.00 51.00 H new ATOM 0 HG21 VAL A 29 -9.009 -23.326 -19.845 1.00 61.00 H new ATOM 0 HG22 VAL A 29 -9.848 -22.892 -21.353 1.00 61.00 H new ATOM 0 HG23 VAL A 29 -8.526 -24.083 -21.381 1.00 61.00 H new ATOM 471 N TYR A 30 -9.305 -21.963 -24.385 1.00 42.00 N ATOM 472 CA TYR A 30 -10.466 -21.677 -25.228 1.00 52.00 C ATOM 473 C TYR A 30 -11.729 -21.794 -24.439 1.00 2.00 C ATOM 474 O TYR A 30 -12.620 -20.950 -24.534 1.00 41.00 O ATOM 475 CB TYR A 30 -10.445 -22.646 -26.421 1.00 15.00 C ATOM 476 CG TYR A 30 -11.768 -22.964 -27.099 1.00 54.00 C ATOM 477 CD1 TYR A 30 -12.473 -22.016 -27.820 1.00 5.00 C ATOM 478 CD2 TYR A 30 -12.289 -24.247 -27.028 1.00 3.00 C ATOM 479 CE1 TYR A 30 -13.664 -22.346 -28.446 1.00 53.00 C ATOM 480 CE2 TYR A 30 -13.462 -24.581 -27.654 1.00 75.00 C ATOM 481 CZ TYR A 30 -14.146 -23.628 -28.361 1.00 62.00 C ATOM 482 OH TYR A 30 -15.313 -23.969 -29.011 1.00 3.00 O ATOM 0 H TYR A 30 -8.808 -22.808 -24.666 1.00 42.00 H new ATOM 0 HA TYR A 30 -10.423 -20.653 -25.600 1.00 52.00 H new ATOM 0 HB2 TYR A 30 -9.773 -22.235 -27.174 1.00 15.00 H new ATOM 0 HB3 TYR A 30 -10.008 -23.585 -26.082 1.00 15.00 H new ATOM 0 HD1 TYR A 30 -12.091 -21.009 -27.895 1.00 5.00 H new ATOM 0 HD2 TYR A 30 -11.758 -25.001 -26.466 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -14.211 -21.597 -28.999 1.00 53.00 H new ATOM 0 HE2 TYR A 30 -13.844 -25.589 -27.590 1.00 75.00 H new ATOM 0 HH TYR A 30 -15.513 -24.915 -28.849 1.00 3.00 H new ATOM 492 N ASP A 31 -11.788 -22.818 -23.652 1.00 1.00 N ATOM 493 CA ASP A 31 -12.927 -23.078 -22.827 1.00 11.00 C ATOM 494 C ASP A 31 -12.522 -24.013 -21.728 1.00 12.00 C ATOM 495 O ASP A 31 -12.535 -23.646 -20.553 1.00 3.00 O ATOM 496 CB ASP A 31 -14.078 -23.644 -23.651 1.00 53.00 C ATOM 497 CG ASP A 31 -15.295 -23.971 -22.823 1.00 53.00 C ATOM 498 OD1 ASP A 31 -15.991 -23.047 -22.387 1.00 13.00 O ATOM 499 OD2 ASP A 31 -15.573 -25.162 -22.617 1.00 73.00 O ATOM 0 H ASP A 31 -11.040 -23.506 -23.561 1.00 1.00 H new ATOM 0 HA ASP A 31 -13.284 -22.147 -22.387 1.00 11.00 H new ATOM 0 HB2 ASP A 31 -14.353 -22.924 -24.422 1.00 53.00 H new ATOM 0 HB3 ASP A 31 -13.741 -24.546 -24.163 1.00 53.00 H new ATOM 504 N ASN A 32 -12.128 -25.210 -22.106 1.00 4.00 N ATOM 505 CA ASN A 32 -11.597 -26.166 -21.153 1.00 52.00 C ATOM 506 C ASN A 32 -10.547 -27.023 -21.866 1.00 41.00 C ATOM 507 O ASN A 32 -10.413 -28.217 -21.629 1.00 73.00 O ATOM 508 CB ASN A 32 -12.727 -27.035 -20.557 1.00 54.00 C ATOM 509 CG ASN A 32 -12.270 -27.828 -19.331 1.00 61.00 C ATOM 510 OD1 ASN A 32 -11.379 -27.397 -18.592 1.00 31.00 O ATOM 511 ND2 ASN A 32 -12.874 -28.966 -19.094 1.00 45.00 N ATOM 0 H ASN A 32 -12.165 -25.547 -23.068 1.00 4.00 H new ATOM 0 HA ASN A 32 -11.131 -25.642 -20.319 1.00 52.00 H new ATOM 0 HB2 ASN A 32 -13.566 -26.396 -20.281 1.00 54.00 H new ATOM 0 HB3 ASN A 32 -13.090 -27.726 -21.318 1.00 54.00 H new ATOM 0 HD21 ASN A 32 -12.612 -29.523 -18.280 1.00 45.00 H new ATOM 0 HD22 ASN A 32 -13.606 -29.295 -19.723 1.00 45.00 H new ATOM 518 N GLN A 33 -9.783 -26.376 -22.736 1.00 54.00 N ATOM 519 CA GLN A 33 -8.730 -27.007 -23.476 1.00 4.00 C ATOM 520 C GLN A 33 -7.782 -25.910 -23.832 1.00 60.00 C ATOM 521 O GLN A 33 -8.194 -24.724 -23.902 1.00 4.00 O ATOM 522 CB GLN A 33 -9.240 -27.709 -24.745 1.00 52.00 C ATOM 523 CG GLN A 33 -9.755 -26.766 -25.792 1.00 1.00 C ATOM 524 CD GLN A 33 -10.214 -27.467 -27.045 1.00 73.00 C ATOM 525 OE1 GLN A 33 -9.431 -27.686 -27.974 1.00 71.00 O ATOM 526 NE2 GLN A 33 -11.463 -27.818 -27.090 1.00 54.00 N ATOM 0 H GLN A 33 -9.890 -25.383 -22.941 1.00 54.00 H new ATOM 0 HA GLN A 33 -8.260 -27.789 -22.880 1.00 4.00 H new ATOM 0 HB2 GLN A 33 -8.431 -28.303 -25.170 1.00 52.00 H new ATOM 0 HB3 GLN A 33 -10.035 -28.403 -24.471 1.00 52.00 H new ATOM 0 HG2 GLN A 33 -10.585 -26.192 -25.379 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -8.971 -26.053 -26.048 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -12.078 -27.619 -26.301 1.00 54.00 H new ATOM 0 HE22 GLN A 33 -11.830 -28.293 -27.915 1.00 54.00 H new ATOM 535 N LEU A 34 -6.565 -26.249 -24.024 1.00 64.00 N ATOM 536 CA LEU A 34 -5.550 -25.272 -24.278 1.00 73.00 C ATOM 537 C LEU A 34 -5.087 -25.330 -25.725 1.00 5.00 C ATOM 538 O LEU A 34 -4.761 -26.401 -26.256 1.00 3.00 O ATOM 539 CB LEU A 34 -4.346 -25.464 -23.331 1.00 14.00 C ATOM 540 CG LEU A 34 -4.476 -25.034 -21.836 1.00 50.00 C ATOM 541 CD1 LEU A 34 -4.647 -23.547 -21.693 1.00 74.00 C ATOM 542 CD2 LEU A 34 -5.583 -25.779 -21.100 1.00 25.00 C ATOM 0 H LEU A 34 -6.231 -27.213 -24.012 1.00 64.00 H new ATOM 0 HA LEU A 34 -5.986 -24.291 -24.091 1.00 73.00 H new ATOM 0 HB2 LEU A 34 -4.082 -26.521 -23.346 1.00 14.00 H new ATOM 0 HB3 LEU A 34 -3.504 -24.919 -23.757 1.00 14.00 H new ATOM 0 HG LEU A 34 -3.534 -25.313 -21.364 1.00 50.00 H new ATOM 0 HD11 LEU A 34 -4.734 -23.291 -20.637 1.00 74.00 H new ATOM 0 HD12 LEU A 34 -3.783 -23.039 -22.120 1.00 74.00 H new ATOM 0 HD13 LEU A 34 -5.549 -23.232 -22.218 1.00 74.00 H new ATOM 0 HD21 LEU A 34 -5.626 -25.438 -20.066 1.00 25.00 H new ATOM 0 HD22 LEU A 34 -6.539 -25.583 -21.586 1.00 25.00 H new ATOM 0 HD23 LEU A 34 -5.378 -26.849 -21.121 1.00 25.00 H new ATOM 554 N LEU A 35 -5.081 -24.207 -26.358 1.00 71.00 N ATOM 555 CA LEU A 35 -4.584 -24.090 -27.709 1.00 3.00 C ATOM 556 C LEU A 35 -3.323 -23.298 -27.678 1.00 62.00 C ATOM 557 O LEU A 35 -3.017 -22.690 -26.663 1.00 5.00 O ATOM 558 CB LEU A 35 -5.576 -23.409 -28.645 1.00 51.00 C ATOM 559 CG LEU A 35 -6.831 -24.184 -29.058 1.00 11.00 C ATOM 560 CD1 LEU A 35 -6.511 -25.572 -29.594 1.00 42.00 C ATOM 561 CD2 LEU A 35 -7.860 -24.237 -27.963 1.00 44.00 C ATOM 0 H LEU A 35 -5.421 -23.331 -25.960 1.00 71.00 H new ATOM 0 HA LEU A 35 -4.418 -25.097 -28.093 1.00 3.00 H new ATOM 0 HB2 LEU A 35 -5.898 -22.482 -28.171 1.00 51.00 H new ATOM 0 HB3 LEU A 35 -5.041 -23.133 -29.554 1.00 51.00 H new ATOM 0 HG LEU A 35 -7.271 -23.621 -29.881 1.00 11.00 H new ATOM 0 HD11 LEU A 35 -7.436 -26.077 -29.872 1.00 42.00 H new ATOM 0 HD12 LEU A 35 -5.868 -25.484 -30.470 1.00 42.00 H new ATOM 0 HD13 LEU A 35 -5.999 -26.150 -28.825 1.00 42.00 H new ATOM 0 HD21 LEU A 35 -8.729 -24.797 -28.307 1.00 44.00 H new ATOM 0 HD22 LEU A 35 -7.435 -24.728 -27.088 1.00 44.00 H new ATOM 0 HD23 LEU A 35 -8.163 -23.224 -27.699 1.00 44.00 H new ATOM 573 N HIS A 36 -2.619 -23.256 -28.769 1.00 24.00 N ATOM 574 CA HIS A 36 -1.362 -22.534 -28.804 1.00 31.00 C ATOM 575 C HIS A 36 -1.169 -21.824 -30.121 1.00 55.00 C ATOM 576 O HIS A 36 -1.270 -22.419 -31.195 1.00 1.00 O ATOM 577 CB HIS A 36 -0.147 -23.399 -28.407 1.00 53.00 C ATOM 578 CG HIS A 36 0.179 -24.541 -29.315 1.00 74.00 C ATOM 579 ND1 HIS A 36 1.274 -24.501 -30.141 1.00 22.00 N ATOM 580 CD2 HIS A 36 -0.440 -25.729 -29.458 1.00 14.00 C ATOM 581 CE1 HIS A 36 1.292 -25.665 -30.760 1.00 15.00 C ATOM 582 NE2 HIS A 36 0.281 -26.432 -30.378 1.00 30.00 N ATOM 0 H HIS A 36 -2.882 -23.706 -29.646 1.00 24.00 H new ATOM 0 HA HIS A 36 -1.425 -21.767 -28.032 1.00 31.00 H new ATOM 0 HB2 HIS A 36 0.728 -22.752 -28.344 1.00 53.00 H new ATOM 0 HB3 HIS A 36 -0.322 -23.796 -27.407 1.00 53.00 H new ATOM 0 HD2 HIS A 36 -1.331 -26.060 -28.945 1.00 14.00 H new ATOM 0 HE1 HIS A 36 2.036 -25.956 -31.486 1.00 15.00 H new ATOM 0 HE2 HIS A 36 0.079 -27.375 -30.711 1.00 30.00 H new ATOM 590 N LEU A 37 -0.952 -20.546 -30.017 1.00 23.00 N ATOM 591 CA LEU A 37 -0.848 -19.666 -31.157 1.00 71.00 C ATOM 592 C LEU A 37 0.464 -18.985 -31.126 1.00 25.00 C ATOM 593 O LEU A 37 1.025 -18.756 -30.052 1.00 24.00 O ATOM 594 CB LEU A 37 -1.981 -18.616 -31.168 1.00 72.00 C ATOM 595 CG LEU A 37 -3.455 -19.153 -31.277 1.00 15.00 C ATOM 596 CD1 LEU A 37 -3.884 -19.966 -30.064 1.00 51.00 C ATOM 597 CD2 LEU A 37 -4.436 -18.039 -31.498 1.00 15.00 C ATOM 0 H LEU A 37 -0.839 -20.071 -29.122 1.00 23.00 H new ATOM 0 HA LEU A 37 -0.940 -20.265 -32.063 1.00 71.00 H new ATOM 0 HB2 LEU A 37 -1.903 -18.025 -30.256 1.00 72.00 H new ATOM 0 HB3 LEU A 37 -1.806 -17.938 -32.003 1.00 72.00 H new ATOM 0 HG LEU A 37 -3.457 -19.815 -32.143 1.00 15.00 H new ATOM 0 HD11 LEU A 37 -4.910 -20.308 -30.200 1.00 51.00 H new ATOM 0 HD12 LEU A 37 -3.226 -20.828 -29.952 1.00 51.00 H new ATOM 0 HD13 LEU A 37 -3.824 -19.345 -29.170 1.00 51.00 H new ATOM 0 HD21 LEU A 37 -5.443 -18.450 -31.568 1.00 15.00 H new ATOM 0 HD22 LEU A 37 -4.387 -17.340 -30.663 1.00 15.00 H new ATOM 0 HD23 LEU A 37 -4.192 -17.517 -32.423 1.00 15.00 H new ATOM 609 N LYS A 38 0.956 -18.641 -32.268 1.00 3.00 N ATOM 610 CA LYS A 38 2.234 -18.052 -32.331 1.00 52.00 C ATOM 611 C LYS A 38 2.188 -16.713 -32.993 1.00 4.00 C ATOM 612 O LYS A 38 1.308 -16.444 -33.810 1.00 11.00 O ATOM 613 CB LYS A 38 3.199 -18.964 -33.025 1.00 33.00 C ATOM 614 CG LYS A 38 2.929 -19.203 -34.498 1.00 74.00 C ATOM 615 CD LYS A 38 4.073 -19.968 -35.104 1.00 73.00 C ATOM 616 CE LYS A 38 3.888 -20.180 -36.592 1.00 21.00 C ATOM 617 NZ LYS A 38 5.034 -20.902 -37.180 1.00 41.00 N ATOM 0 H LYS A 38 0.487 -18.761 -33.166 1.00 3.00 H new ATOM 0 HA LYS A 38 2.582 -17.897 -31.310 1.00 52.00 H new ATOM 0 HB2 LYS A 38 4.202 -18.551 -32.920 1.00 33.00 H new ATOM 0 HB3 LYS A 38 3.195 -19.926 -32.512 1.00 33.00 H new ATOM 0 HG2 LYS A 38 2.000 -19.760 -34.622 1.00 74.00 H new ATOM 0 HG3 LYS A 38 2.801 -18.251 -35.014 1.00 74.00 H new ATOM 0 HD2 LYS A 38 5.004 -19.429 -34.927 1.00 73.00 H new ATOM 0 HD3 LYS A 38 4.166 -20.935 -34.609 1.00 73.00 H new ATOM 0 HE2 LYS A 38 2.972 -20.743 -36.770 1.00 21.00 H new ATOM 0 HE3 LYS A 38 3.771 -19.216 -37.087 1.00 21.00 H new ATOM 0 HZ1 LYS A 38 4.877 -21.031 -38.200 1.00 41.00 H new ATOM 0 HZ2 LYS A 38 5.904 -20.352 -37.031 1.00 41.00 H new ATOM 0 HZ3 LYS A 38 5.130 -21.832 -36.724 1.00 41.00 H new ATOM 631 N GLN A 39 3.126 -15.898 -32.645 1.00 62.00 N ATOM 632 CA GLN A 39 3.204 -14.558 -33.142 1.00 61.00 C ATOM 633 C GLN A 39 3.837 -14.548 -34.505 1.00 21.00 C ATOM 634 O GLN A 39 4.989 -14.964 -34.686 1.00 0.00 O ATOM 635 CB GLN A 39 3.970 -13.659 -32.187 1.00 14.00 C ATOM 636 CG GLN A 39 3.965 -12.197 -32.588 1.00 25.00 C ATOM 637 CD GLN A 39 4.681 -11.315 -31.598 1.00 62.00 C ATOM 638 OE1 GLN A 39 4.081 -10.799 -30.652 1.00 64.00 O ATOM 639 NE2 GLN A 39 5.946 -11.124 -31.805 1.00 43.00 N ATOM 0 H GLN A 39 3.874 -16.144 -31.997 1.00 62.00 H new ATOM 0 HA GLN A 39 2.190 -14.165 -33.222 1.00 61.00 H new ATOM 0 HB2 GLN A 39 3.541 -13.754 -31.190 1.00 14.00 H new ATOM 0 HB3 GLN A 39 5.002 -14.006 -32.125 1.00 14.00 H new ATOM 0 HG2 GLN A 39 4.434 -12.092 -33.566 1.00 25.00 H new ATOM 0 HG3 GLN A 39 2.934 -11.857 -32.691 1.00 25.00 H new ATOM 0 HE21 GLN A 39 6.406 -11.569 -32.599 1.00 43.00 H new ATOM 0 HE22 GLN A 39 6.482 -10.529 -31.174 1.00 43.00 H new ATOM 648 N GLY A 40 3.066 -14.134 -35.441 1.00 71.00 N ATOM 649 CA GLY A 40 3.518 -14.011 -36.796 1.00 12.00 C ATOM 650 C GLY A 40 3.661 -12.565 -37.183 1.00 55.00 C ATOM 651 O GLY A 40 4.339 -11.796 -36.494 1.00 12.00 O ATOM 0 H GLY A 40 2.092 -13.866 -35.298 1.00 71.00 H new ATOM 0 HA2 GLY A 40 4.475 -14.519 -36.912 1.00 12.00 H new ATOM 0 HA3 GLY A 40 2.812 -14.503 -37.465 1.00 12.00 H new ATOM 655 N ILE A 41 3.022 -12.176 -38.260 1.00 60.00 N ATOM 656 CA ILE A 41 3.069 -10.800 -38.689 1.00 12.00 C ATOM 657 C ILE A 41 2.026 -10.020 -37.920 1.00 32.00 C ATOM 658 O ILE A 41 0.816 -10.127 -38.184 1.00 75.00 O ATOM 659 CB ILE A 41 2.847 -10.583 -40.236 1.00 22.00 C ATOM 660 CG1 ILE A 41 3.915 -11.297 -41.106 1.00 24.00 C ATOM 661 CG2 ILE A 41 2.845 -9.089 -40.562 1.00 42.00 C ATOM 662 CD1 ILE A 41 3.792 -12.810 -41.178 1.00 21.00 C ATOM 0 H ILE A 41 2.465 -12.791 -38.853 1.00 60.00 H new ATOM 0 HA ILE A 41 4.080 -10.447 -38.485 1.00 12.00 H new ATOM 0 HB ILE A 41 1.881 -11.026 -40.477 1.00 22.00 H new ATOM 0 HG12 ILE A 41 3.861 -10.897 -42.118 1.00 24.00 H new ATOM 0 HG13 ILE A 41 4.902 -11.048 -40.717 1.00 24.00 H new ATOM 0 HG21 ILE A 41 2.691 -8.950 -41.632 1.00 42.00 H new ATOM 0 HG22 ILE A 41 2.041 -8.598 -40.013 1.00 42.00 H new ATOM 0 HG23 ILE A 41 3.801 -8.652 -40.273 1.00 42.00 H new ATOM 0 HD11 ILE A 41 4.585 -13.210 -41.810 1.00 21.00 H new ATOM 0 HD12 ILE A 41 3.880 -13.230 -40.176 1.00 21.00 H new ATOM 0 HD13 ILE A 41 2.823 -13.077 -41.600 1.00 21.00 H new ATOM 674 N SER A 42 2.466 -9.289 -36.953 1.00 62.00 N ATOM 675 CA SER A 42 1.589 -8.511 -36.165 1.00 72.00 C ATOM 676 C SER A 42 1.310 -7.192 -36.851 1.00 44.00 C ATOM 677 O SER A 42 2.075 -6.236 -36.723 1.00 54.00 O ATOM 678 CB SER A 42 2.174 -8.306 -34.799 1.00 51.00 C ATOM 679 OG SER A 42 2.530 -9.560 -34.217 1.00 24.00 O ATOM 0 H SER A 42 3.449 -9.218 -36.690 1.00 62.00 H new ATOM 0 HA SER A 42 0.641 -9.036 -36.049 1.00 72.00 H new ATOM 0 HB2 SER A 42 3.054 -7.666 -34.865 1.00 51.00 H new ATOM 0 HB3 SER A 42 1.454 -7.793 -34.161 1.00 51.00 H new ATOM 0 HG SER A 42 3.182 -9.415 -33.500 1.00 24.00 H new ATOM 685 N ALA A 43 0.262 -7.199 -37.663 1.00 35.00 N ATOM 686 CA ALA A 43 -0.185 -6.053 -38.408 1.00 51.00 C ATOM 687 C ALA A 43 -0.310 -4.813 -37.530 1.00 72.00 C ATOM 688 O ALA A 43 0.387 -3.828 -37.739 1.00 65.00 O ATOM 689 CB ALA A 43 -1.504 -6.362 -39.074 1.00 21.00 C ATOM 0 H ALA A 43 -0.309 -8.029 -37.819 1.00 35.00 H new ATOM 0 HA ALA A 43 0.565 -5.834 -39.168 1.00 51.00 H new ATOM 0 HB1 ALA A 43 -1.840 -5.492 -39.638 1.00 21.00 H new ATOM 0 HB2 ALA A 43 -1.381 -7.207 -39.751 1.00 21.00 H new ATOM 0 HB3 ALA A 43 -2.245 -6.611 -38.315 1.00 21.00 H new ATOM 695 N SER A 44 -1.187 -4.868 -36.560 1.00 74.00 N ATOM 696 CA SER A 44 -1.381 -3.751 -35.668 1.00 24.00 C ATOM 697 C SER A 44 -0.836 -4.065 -34.261 1.00 35.00 C ATOM 698 O SER A 44 0.073 -3.392 -33.769 1.00 33.00 O ATOM 699 CB SER A 44 -2.870 -3.414 -35.619 1.00 54.00 C ATOM 700 OG SER A 44 -3.395 -3.275 -36.940 1.00 5.00 O ATOM 0 H SER A 44 -1.780 -5.675 -36.367 1.00 74.00 H new ATOM 0 HA SER A 44 -0.827 -2.889 -36.040 1.00 24.00 H new ATOM 0 HB2 SER A 44 -3.409 -4.198 -35.088 1.00 54.00 H new ATOM 0 HB3 SER A 44 -3.022 -2.489 -35.062 1.00 54.00 H new ATOM 0 HG SER A 44 -4.350 -3.061 -36.892 1.00 5.00 H new ATOM 706 N GLY A 45 -1.359 -5.123 -33.647 1.00 11.00 N ATOM 707 CA GLY A 45 -0.975 -5.445 -32.283 1.00 51.00 C ATOM 708 C GLY A 45 0.120 -6.468 -32.205 1.00 61.00 C ATOM 709 O GLY A 45 1.267 -6.203 -32.556 1.00 25.00 O ATOM 0 H GLY A 45 -2.037 -5.759 -34.066 1.00 11.00 H new ATOM 0 HA2 GLY A 45 -0.650 -4.535 -31.779 1.00 51.00 H new ATOM 0 HA3 GLY A 45 -1.848 -5.814 -31.744 1.00 51.00 H new ATOM 713 N ALA A 46 -0.248 -7.637 -31.776 1.00 73.00 N ATOM 714 CA ALA A 46 0.617 -8.737 -31.625 1.00 14.00 C ATOM 715 C ALA A 46 -0.213 -9.881 -32.041 1.00 55.00 C ATOM 716 O ALA A 46 -1.271 -10.138 -31.441 1.00 25.00 O ATOM 717 CB ALA A 46 1.077 -8.863 -30.187 1.00 72.00 C ATOM 0 H ALA A 46 -1.211 -7.846 -31.512 1.00 73.00 H new ATOM 0 HA ALA A 46 1.533 -8.655 -32.211 1.00 14.00 H new ATOM 0 HB1 ALA A 46 1.745 -9.719 -30.092 1.00 72.00 H new ATOM 0 HB2 ALA A 46 1.606 -7.956 -29.893 1.00 72.00 H new ATOM 0 HB3 ALA A 46 0.212 -9.004 -29.539 1.00 72.00 H new ATOM 723 N ARG A 47 0.171 -10.506 -33.098 1.00 44.00 N ATOM 724 CA ARG A 47 -0.658 -11.478 -33.687 1.00 72.00 C ATOM 725 C ARG A 47 -0.229 -12.877 -33.368 1.00 2.00 C ATOM 726 O ARG A 47 0.618 -13.433 -34.055 1.00 54.00 O ATOM 727 CB ARG A 47 -0.743 -11.313 -35.202 1.00 74.00 C ATOM 728 CG ARG A 47 -1.634 -10.194 -35.696 1.00 72.00 C ATOM 729 CD ARG A 47 -3.060 -10.446 -35.280 1.00 1.00 C ATOM 730 NE ARG A 47 -4.017 -9.729 -36.121 1.00 75.00 N ATOM 731 CZ ARG A 47 -4.767 -10.309 -37.079 1.00 25.00 C ATOM 732 NH1 ARG A 47 -4.606 -11.601 -37.375 1.00 40.00 N ATOM 733 NH2 ARG A 47 -5.652 -9.591 -37.745 1.00 23.00 N ATOM 0 H ARG A 47 1.062 -10.355 -33.570 1.00 44.00 H new ATOM 0 HA ARG A 47 -1.645 -11.316 -33.253 1.00 72.00 H new ATOM 0 HB2 ARG A 47 0.263 -11.147 -35.587 1.00 74.00 H new ATOM 0 HB3 ARG A 47 -1.098 -12.250 -35.631 1.00 74.00 H new ATOM 0 HG2 ARG A 47 -1.292 -9.241 -35.292 1.00 72.00 H new ATOM 0 HG3 ARG A 47 -1.571 -10.121 -36.782 1.00 72.00 H new ATOM 0 HD2 ARG A 47 -3.267 -11.515 -35.328 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -3.193 -10.142 -34.242 1.00 1.00 H new ATOM 0 HE ARG A 47 -4.124 -8.725 -35.973 1.00 75.00 H new ATOM 0 HH11 ARG A 47 -3.912 -12.156 -36.875 1.00 40.00 H new ATOM 0 HH12 ARG A 47 -5.177 -12.033 -38.101 1.00 40.00 H new ATOM 0 HH21 ARG A 47 -5.767 -8.600 -37.534 1.00 23.00 H new ATOM 0 HH22 ARG A 47 -6.221 -10.027 -38.470 1.00 23.00 H new ATOM 747 N TYR A 48 -0.793 -13.436 -32.347 1.00 12.00 N ATOM 748 CA TYR A 48 -0.564 -14.791 -32.023 1.00 42.00 C ATOM 749 C TYR A 48 -1.684 -15.517 -32.668 1.00 0.00 C ATOM 750 O TYR A 48 -2.808 -15.364 -32.301 1.00 23.00 O ATOM 751 CB TYR A 48 -0.557 -14.992 -30.513 1.00 31.00 C ATOM 752 CG TYR A 48 0.462 -14.142 -29.775 1.00 33.00 C ATOM 753 CD1 TYR A 48 1.750 -14.600 -29.560 1.00 41.00 C ATOM 754 CD2 TYR A 48 0.127 -12.881 -29.288 1.00 5.00 C ATOM 755 CE1 TYR A 48 2.675 -13.828 -28.885 1.00 70.00 C ATOM 756 CE2 TYR A 48 1.047 -12.107 -28.616 1.00 43.00 C ATOM 757 CZ TYR A 48 2.316 -12.581 -28.415 1.00 14.00 C ATOM 758 OH TYR A 48 3.245 -11.798 -27.757 1.00 13.00 O ATOM 0 H TYR A 48 -1.430 -12.953 -31.714 1.00 12.00 H new ATOM 0 HA TYR A 48 0.405 -15.150 -32.370 1.00 42.00 H new ATOM 0 HB2 TYR A 48 -1.550 -14.768 -30.124 1.00 31.00 H new ATOM 0 HB3 TYR A 48 -0.360 -16.042 -30.299 1.00 31.00 H new ATOM 0 HD1 TYR A 48 2.036 -15.575 -29.925 1.00 41.00 H new ATOM 0 HD2 TYR A 48 -0.873 -12.503 -29.440 1.00 5.00 H new ATOM 0 HE1 TYR A 48 3.677 -14.199 -28.725 1.00 70.00 H new ATOM 0 HE2 TYR A 48 0.769 -11.130 -28.249 1.00 43.00 H new ATOM 0 HH TYR A 48 3.759 -11.280 -28.412 1.00 13.00 H new ATOM 768 N THR A 49 -1.403 -16.213 -33.682 1.00 52.00 N ATOM 769 CA THR A 49 -2.419 -16.824 -34.462 1.00 1.00 C ATOM 770 C THR A 49 -1.892 -18.126 -34.967 1.00 34.00 C ATOM 771 O THR A 49 -0.715 -18.212 -35.326 1.00 75.00 O ATOM 772 CB THR A 49 -2.795 -15.892 -35.633 1.00 14.00 C ATOM 773 OG1 THR A 49 -3.278 -14.629 -35.123 1.00 63.00 O ATOM 774 CG2 THR A 49 -3.821 -16.512 -36.563 1.00 11.00 C ATOM 0 H THR A 49 -0.453 -16.387 -34.012 1.00 52.00 H new ATOM 0 HA THR A 49 -3.315 -17.000 -33.867 1.00 1.00 H new ATOM 0 HB THR A 49 -1.892 -15.729 -36.221 1.00 14.00 H new ATOM 0 HG1 THR A 49 -3.362 -13.989 -35.860 1.00 63.00 H new ATOM 0 HG21 THR A 49 -4.050 -15.815 -37.369 1.00 11.00 H new ATOM 0 HG22 THR A 49 -3.420 -17.434 -36.984 1.00 11.00 H new ATOM 0 HG23 THR A 49 -4.731 -16.733 -36.005 1.00 11.00 H new ATOM 782 N ASP A 50 -2.690 -19.149 -34.943 1.00 62.00 N ATOM 783 CA ASP A 50 -2.194 -20.415 -35.394 1.00 54.00 C ATOM 784 C ASP A 50 -2.953 -20.896 -36.616 1.00 32.00 C ATOM 785 O ASP A 50 -2.523 -21.829 -37.301 1.00 2.00 O ATOM 786 CB ASP A 50 -2.270 -21.443 -34.292 1.00 54.00 C ATOM 787 CG ASP A 50 -3.608 -22.112 -34.174 1.00 42.00 C ATOM 788 OD1 ASP A 50 -4.660 -21.412 -34.109 1.00 71.00 O ATOM 789 OD2 ASP A 50 -3.622 -23.364 -34.133 1.00 3.00 O ATOM 0 H ASP A 50 -3.660 -19.138 -34.626 1.00 62.00 H new ATOM 0 HA ASP A 50 -1.149 -20.281 -35.673 1.00 54.00 H new ATOM 0 HB2 ASP A 50 -1.509 -22.204 -34.465 1.00 54.00 H new ATOM 0 HB3 ASP A 50 -2.030 -20.962 -33.343 1.00 54.00 H new ATOM 794 N GLY A 51 -4.078 -20.283 -36.874 1.00 61.00 N ATOM 795 CA GLY A 51 -4.861 -20.662 -38.003 1.00 53.00 C ATOM 796 C GLY A 51 -6.261 -21.057 -37.608 1.00 32.00 C ATOM 797 O GLY A 51 -7.192 -20.916 -38.411 1.00 54.00 O ATOM 0 H GLY A 51 -4.465 -19.523 -36.315 1.00 61.00 H new ATOM 0 HA2 GLY A 51 -4.903 -19.834 -38.710 1.00 53.00 H new ATOM 0 HA3 GLY A 51 -4.380 -21.495 -38.516 1.00 53.00 H new ATOM 801 N ILE A 52 -6.415 -21.541 -36.381 1.00 20.00 N ATOM 802 CA ILE A 52 -7.716 -21.962 -35.865 1.00 61.00 C ATOM 803 C ILE A 52 -8.403 -20.763 -35.234 1.00 21.00 C ATOM 804 O ILE A 52 -9.599 -20.556 -35.402 1.00 10.00 O ATOM 805 CB ILE A 52 -7.597 -23.136 -34.814 1.00 12.00 C ATOM 806 CG1 ILE A 52 -7.150 -24.481 -35.452 1.00 43.00 C ATOM 807 CG2 ILE A 52 -8.919 -23.357 -34.076 1.00 45.00 C ATOM 808 CD1 ILE A 52 -5.778 -24.514 -36.081 1.00 54.00 C ATOM 0 H ILE A 52 -5.648 -21.653 -35.718 1.00 20.00 H new ATOM 0 HA ILE A 52 -8.304 -22.345 -36.699 1.00 61.00 H new ATOM 0 HB ILE A 52 -6.826 -22.820 -34.112 1.00 12.00 H new ATOM 0 HG12 ILE A 52 -7.189 -25.252 -34.682 1.00 43.00 H new ATOM 0 HG13 ILE A 52 -7.880 -24.754 -36.214 1.00 43.00 H new ATOM 0 HG21 ILE A 52 -8.804 -24.171 -33.360 1.00 45.00 H new ATOM 0 HG22 ILE A 52 -9.197 -22.445 -33.547 1.00 45.00 H new ATOM 0 HG23 ILE A 52 -9.698 -23.612 -34.794 1.00 45.00 H new ATOM 0 HD11 ILE A 52 -5.588 -25.507 -36.489 1.00 54.00 H new ATOM 0 HD12 ILE A 52 -5.727 -23.777 -36.882 1.00 54.00 H new ATOM 0 HD13 ILE A 52 -5.026 -24.282 -35.327 1.00 54.00 H new ATOM 820 N TYR A 53 -7.636 -19.987 -34.509 1.00 30.00 N ATOM 821 CA TYR A 53 -8.100 -18.739 -33.939 1.00 35.00 C ATOM 822 C TYR A 53 -7.038 -17.714 -34.175 1.00 72.00 C ATOM 823 O TYR A 53 -5.947 -18.032 -34.684 1.00 34.00 O ATOM 824 CB TYR A 53 -8.331 -18.830 -32.424 1.00 43.00 C ATOM 825 CG TYR A 53 -9.327 -19.885 -32.007 1.00 51.00 C ATOM 826 CD1 TYR A 53 -10.670 -19.773 -32.343 1.00 40.00 C ATOM 827 CD2 TYR A 53 -8.917 -21.014 -31.309 1.00 74.00 C ATOM 828 CE1 TYR A 53 -11.575 -20.752 -31.994 1.00 31.00 C ATOM 829 CE2 TYR A 53 -9.815 -22.001 -30.964 1.00 33.00 C ATOM 830 CZ TYR A 53 -11.141 -21.865 -31.308 1.00 73.00 C ATOM 831 OH TYR A 53 -12.030 -22.855 -30.984 1.00 33.00 O ATOM 0 H TYR A 53 -6.663 -20.203 -34.294 1.00 30.00 H new ATOM 0 HA TYR A 53 -9.050 -18.485 -34.409 1.00 35.00 H new ATOM 0 HB2 TYR A 53 -7.378 -19.034 -31.935 1.00 43.00 H new ATOM 0 HB3 TYR A 53 -8.674 -17.861 -32.062 1.00 43.00 H new ATOM 0 HD1 TYR A 53 -11.011 -18.904 -32.887 1.00 40.00 H new ATOM 0 HD2 TYR A 53 -7.878 -21.120 -31.032 1.00 74.00 H new ATOM 0 HE1 TYR A 53 -12.617 -20.647 -32.257 1.00 31.00 H new ATOM 0 HE2 TYR A 53 -9.480 -22.876 -30.427 1.00 33.00 H new ATOM 0 HH TYR A 53 -12.300 -22.758 -30.047 1.00 33.00 H new ATOM 841 N VAL A 54 -7.333 -16.528 -33.788 1.00 34.00 N ATOM 842 CA VAL A 54 -6.468 -15.402 -33.910 1.00 72.00 C ATOM 843 C VAL A 54 -6.455 -14.720 -32.568 1.00 52.00 C ATOM 844 O VAL A 54 -7.484 -14.245 -32.124 1.00 22.00 O ATOM 845 CB VAL A 54 -7.059 -14.420 -34.938 1.00 54.00 C ATOM 846 CG1 VAL A 54 -6.338 -13.074 -34.922 1.00 35.00 C ATOM 847 CG2 VAL A 54 -7.038 -15.001 -36.346 1.00 31.00 C ATOM 0 H VAL A 54 -8.228 -16.299 -33.355 1.00 34.00 H new ATOM 0 HA VAL A 54 -5.470 -15.708 -34.224 1.00 72.00 H new ATOM 0 HB VAL A 54 -8.096 -14.256 -34.645 1.00 54.00 H new ATOM 0 HG11 VAL A 54 -6.787 -12.412 -35.662 1.00 35.00 H new ATOM 0 HG12 VAL A 54 -6.427 -12.625 -33.933 1.00 35.00 H new ATOM 0 HG13 VAL A 54 -5.285 -13.223 -35.160 1.00 35.00 H new ATOM 0 HG21 VAL A 54 -7.463 -14.279 -37.044 1.00 31.00 H new ATOM 0 HG22 VAL A 54 -6.010 -15.222 -36.633 1.00 31.00 H new ATOM 0 HG23 VAL A 54 -7.626 -15.918 -36.370 1.00 31.00 H new ATOM 857 N PHE A 55 -5.344 -14.713 -31.923 1.00 41.00 N ATOM 858 CA PHE A 55 -5.217 -14.052 -30.652 1.00 62.00 C ATOM 859 C PHE A 55 -4.528 -12.740 -30.912 1.00 63.00 C ATOM 860 O PHE A 55 -3.297 -12.666 -31.061 1.00 70.00 O ATOM 861 CB PHE A 55 -4.436 -14.932 -29.643 1.00 22.00 C ATOM 862 CG PHE A 55 -4.272 -14.371 -28.248 1.00 62.00 C ATOM 863 CD1 PHE A 55 -3.243 -13.493 -27.944 1.00 63.00 C ATOM 864 CD2 PHE A 55 -5.132 -14.749 -27.237 1.00 64.00 C ATOM 865 CE1 PHE A 55 -3.081 -13.003 -26.665 1.00 21.00 C ATOM 866 CE2 PHE A 55 -4.980 -14.264 -25.957 1.00 61.00 C ATOM 867 CZ PHE A 55 -3.952 -13.389 -25.670 1.00 31.00 C ATOM 0 H PHE A 55 -4.490 -15.163 -32.253 1.00 41.00 H new ATOM 0 HA PHE A 55 -6.193 -13.878 -30.199 1.00 62.00 H new ATOM 0 HB2 PHE A 55 -4.941 -15.895 -29.567 1.00 22.00 H new ATOM 0 HB3 PHE A 55 -3.444 -15.124 -30.053 1.00 22.00 H new ATOM 0 HD1 PHE A 55 -2.558 -13.188 -28.721 1.00 63.00 H new ATOM 0 HD2 PHE A 55 -5.937 -15.436 -27.453 1.00 64.00 H new ATOM 0 HE1 PHE A 55 -2.275 -12.319 -26.444 1.00 21.00 H new ATOM 0 HE2 PHE A 55 -5.664 -14.568 -25.179 1.00 61.00 H new ATOM 0 HZ PHE A 55 -3.831 -13.008 -24.667 1.00 31.00 H new ATOM 877 N TRP A 56 -5.311 -11.736 -31.063 1.00 61.00 N ATOM 878 CA TRP A 56 -4.827 -10.462 -31.347 1.00 45.00 C ATOM 879 C TRP A 56 -4.803 -9.673 -30.087 1.00 12.00 C ATOM 880 O TRP A 56 -5.828 -9.389 -29.454 1.00 22.00 O ATOM 881 CB TRP A 56 -5.649 -9.803 -32.447 1.00 50.00 C ATOM 882 CG TRP A 56 -5.261 -8.390 -32.806 1.00 54.00 C ATOM 883 CD1 TRP A 56 -4.108 -7.725 -32.490 1.00 75.00 C ATOM 884 CD2 TRP A 56 -6.040 -7.486 -33.580 1.00 64.00 C ATOM 885 NE1 TRP A 56 -4.156 -6.451 -32.964 1.00 63.00 N ATOM 886 CE2 TRP A 56 -5.328 -6.280 -33.658 1.00 2.00 C ATOM 887 CE3 TRP A 56 -7.283 -7.578 -34.201 1.00 51.00 C ATOM 888 CZ2 TRP A 56 -5.821 -5.172 -34.335 1.00 34.00 C ATOM 889 CZ3 TRP A 56 -7.767 -6.482 -34.876 1.00 2.00 C ATOM 890 CH2 TRP A 56 -7.038 -5.294 -34.938 1.00 41.00 C ATOM 0 H TRP A 56 -6.327 -11.792 -30.988 1.00 61.00 H new ATOM 0 HA TRP A 56 -3.809 -10.518 -31.732 1.00 45.00 H new ATOM 0 HB2 TRP A 56 -5.577 -10.418 -33.344 1.00 50.00 H new ATOM 0 HB3 TRP A 56 -6.695 -9.805 -32.142 1.00 50.00 H new ATOM 0 HD1 TRP A 56 -3.279 -8.150 -31.943 1.00 75.00 H new ATOM 0 HE1 TRP A 56 -3.439 -5.739 -32.826 1.00 63.00 H new ATOM 0 HE3 TRP A 56 -7.856 -8.492 -34.153 1.00 51.00 H new ATOM 0 HZ2 TRP A 56 -5.262 -4.249 -34.382 1.00 34.00 H new ATOM 0 HZ3 TRP A 56 -8.727 -6.542 -35.366 1.00 2.00 H new ATOM 0 HH2 TRP A 56 -7.447 -4.452 -35.476 1.00 41.00 H new ATOM 901 N SER A 57 -3.643 -9.370 -29.730 1.00 44.00 N ATOM 902 CA SER A 57 -3.362 -8.635 -28.566 1.00 35.00 C ATOM 903 C SER A 57 -3.124 -7.210 -28.997 1.00 12.00 C ATOM 904 O SER A 57 -2.185 -6.926 -29.728 1.00 43.00 O ATOM 905 CB SER A 57 -2.132 -9.230 -27.870 1.00 53.00 C ATOM 906 OG SER A 57 -1.854 -8.581 -26.635 1.00 24.00 O ATOM 0 H SER A 57 -2.811 -9.634 -30.258 1.00 44.00 H new ATOM 0 HA SER A 57 -4.184 -8.672 -27.851 1.00 35.00 H new ATOM 0 HB2 SER A 57 -2.294 -10.293 -27.693 1.00 53.00 H new ATOM 0 HB3 SER A 57 -1.267 -9.145 -28.527 1.00 53.00 H new ATOM 0 HG SER A 57 -1.065 -8.989 -26.221 1.00 24.00 H new ATOM 912 N LYS A 58 -4.020 -6.341 -28.618 1.00 53.00 N ATOM 913 CA LYS A 58 -3.953 -4.945 -28.973 1.00 2.00 C ATOM 914 C LYS A 58 -3.341 -4.144 -27.827 1.00 71.00 C ATOM 915 O LYS A 58 -3.586 -2.941 -27.673 1.00 51.00 O ATOM 916 CB LYS A 58 -5.369 -4.478 -29.292 1.00 11.00 C ATOM 917 CG LYS A 58 -5.998 -5.307 -30.406 1.00 3.00 C ATOM 918 CD LYS A 58 -7.424 -4.923 -30.720 1.00 14.00 C ATOM 919 CE LYS A 58 -8.347 -5.232 -29.575 1.00 55.00 C ATOM 920 NZ LYS A 58 -9.755 -4.900 -29.860 1.00 73.00 N ATOM 0 H LYS A 58 -4.829 -6.583 -28.046 1.00 53.00 H new ATOM 0 HA LYS A 58 -3.317 -4.793 -29.845 1.00 2.00 H new ATOM 0 HB2 LYS A 58 -5.985 -4.546 -28.395 1.00 11.00 H new ATOM 0 HB3 LYS A 58 -5.349 -3.429 -29.586 1.00 11.00 H new ATOM 0 HG2 LYS A 58 -5.396 -5.202 -31.309 1.00 3.00 H new ATOM 0 HG3 LYS A 58 -5.969 -6.359 -30.124 1.00 3.00 H new ATOM 0 HD2 LYS A 58 -7.472 -3.859 -30.949 1.00 14.00 H new ATOM 0 HD3 LYS A 58 -7.757 -5.456 -31.610 1.00 14.00 H new ATOM 0 HE2 LYS A 58 -8.272 -6.292 -29.332 1.00 55.00 H new ATOM 0 HE3 LYS A 58 -8.021 -4.679 -28.694 1.00 55.00 H new ATOM 0 HZ1 LYS A 58 -10.270 -4.774 -28.965 1.00 73.00 H new ATOM 0 HZ2 LYS A 58 -9.799 -4.019 -30.411 1.00 73.00 H new ATOM 0 HZ3 LYS A 58 -10.190 -5.672 -30.405 1.00 73.00 H new ATOM 934 N GLY A 59 -2.541 -4.818 -27.036 1.00 50.00 N ATOM 935 CA GLY A 59 -1.879 -4.193 -25.932 1.00 5.00 C ATOM 936 C GLY A 59 -2.461 -4.640 -24.628 1.00 52.00 C ATOM 937 O GLY A 59 -2.124 -5.713 -24.127 1.00 34.00 O ATOM 0 H GLY A 59 -2.335 -5.811 -27.144 1.00 50.00 H new ATOM 0 HA2 GLY A 59 -0.816 -4.432 -25.960 1.00 5.00 H new ATOM 0 HA3 GLY A 59 -1.965 -3.110 -26.019 1.00 5.00 H new ATOM 941 N ASP A 60 -3.394 -3.867 -24.114 1.00 54.00 N ATOM 942 CA ASP A 60 -4.002 -4.161 -22.824 1.00 55.00 C ATOM 943 C ASP A 60 -5.213 -5.008 -23.005 1.00 51.00 C ATOM 944 O ASP A 60 -5.798 -5.476 -22.045 1.00 23.00 O ATOM 945 CB ASP A 60 -4.384 -2.887 -22.046 1.00 1.00 C ATOM 946 CG ASP A 60 -3.199 -2.071 -21.600 1.00 5.00 C ATOM 947 OD1 ASP A 60 -2.606 -2.383 -20.538 1.00 63.00 O ATOM 948 OD2 ASP A 60 -2.834 -1.098 -22.306 1.00 11.00 O ATOM 0 H ASP A 60 -3.752 -3.027 -24.568 1.00 54.00 H new ATOM 0 HA ASP A 60 -3.253 -4.696 -22.239 1.00 55.00 H new ATOM 0 HB2 ASP A 60 -5.025 -2.268 -22.673 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -4.970 -3.168 -21.171 1.00 1.00 H new ATOM 953 N GLU A 61 -5.593 -5.235 -24.228 1.00 62.00 N ATOM 954 CA GLU A 61 -6.739 -6.017 -24.470 1.00 50.00 C ATOM 955 C GLU A 61 -6.434 -7.077 -25.483 1.00 62.00 C ATOM 956 O GLU A 61 -5.562 -6.899 -26.344 1.00 61.00 O ATOM 957 CB GLU A 61 -7.956 -5.186 -24.870 1.00 43.00 C ATOM 958 CG GLU A 61 -7.806 -4.446 -26.157 1.00 21.00 C ATOM 959 CD GLU A 61 -9.093 -3.795 -26.586 1.00 14.00 C ATOM 960 OE1 GLU A 61 -9.986 -4.499 -27.099 1.00 24.00 O ATOM 961 OE2 GLU A 61 -9.221 -2.566 -26.463 1.00 41.00 O ATOM 0 H GLU A 61 -5.120 -4.886 -25.061 1.00 62.00 H new ATOM 0 HA GLU A 61 -7.009 -6.497 -23.530 1.00 50.00 H new ATOM 0 HB2 GLU A 61 -8.821 -5.845 -24.943 1.00 43.00 H new ATOM 0 HB3 GLU A 61 -8.167 -4.469 -24.076 1.00 43.00 H new ATOM 0 HG2 GLU A 61 -7.033 -3.685 -26.050 1.00 21.00 H new ATOM 0 HG3 GLU A 61 -7.471 -5.134 -26.934 1.00 21.00 H new ATOM 968 N ALA A 62 -7.134 -8.155 -25.395 1.00 10.00 N ATOM 969 CA ALA A 62 -6.924 -9.255 -26.238 1.00 35.00 C ATOM 970 C ALA A 62 -8.240 -9.641 -26.842 1.00 63.00 C ATOM 971 O ALA A 62 -9.278 -9.634 -26.165 1.00 73.00 O ATOM 972 CB ALA A 62 -6.329 -10.414 -25.463 1.00 33.00 C ATOM 0 H ALA A 62 -7.883 -8.288 -24.715 1.00 10.00 H new ATOM 0 HA ALA A 62 -6.218 -8.991 -27.026 1.00 35.00 H new ATOM 0 HB1 ALA A 62 -6.173 -11.259 -26.134 1.00 33.00 H new ATOM 0 HB2 ALA A 62 -5.374 -10.112 -25.032 1.00 33.00 H new ATOM 0 HB3 ALA A 62 -7.011 -10.706 -24.665 1.00 33.00 H new ATOM 978 N THR A 63 -8.211 -9.891 -28.088 1.00 53.00 N ATOM 979 CA THR A 63 -9.360 -10.306 -28.824 1.00 20.00 C ATOM 980 C THR A 63 -9.022 -11.570 -29.630 1.00 65.00 C ATOM 981 O THR A 63 -8.094 -11.574 -30.443 1.00 63.00 O ATOM 982 CB THR A 63 -9.812 -9.172 -29.766 1.00 4.00 C ATOM 983 OG1 THR A 63 -9.962 -7.961 -28.991 1.00 25.00 O ATOM 984 CG2 THR A 63 -11.144 -9.509 -30.420 1.00 43.00 C ATOM 0 H THR A 63 -7.366 -9.814 -28.654 1.00 53.00 H new ATOM 0 HA THR A 63 -10.174 -10.533 -28.136 1.00 20.00 H new ATOM 0 HB THR A 63 -9.064 -9.042 -30.548 1.00 4.00 H new ATOM 0 HG1 THR A 63 -10.610 -7.370 -29.429 1.00 25.00 H new ATOM 0 HG21 THR A 63 -11.442 -8.694 -31.080 1.00 43.00 H new ATOM 0 HG22 THR A 63 -11.043 -10.427 -31.000 1.00 43.00 H new ATOM 0 HG23 THR A 63 -11.903 -9.648 -29.650 1.00 43.00 H new ATOM 992 N VAL A 64 -9.741 -12.633 -29.364 1.00 24.00 N ATOM 993 CA VAL A 64 -9.557 -13.886 -30.059 1.00 15.00 C ATOM 994 C VAL A 64 -10.629 -13.996 -31.121 1.00 15.00 C ATOM 995 O VAL A 64 -11.787 -14.245 -30.802 1.00 21.00 O ATOM 996 CB VAL A 64 -9.679 -15.095 -29.120 1.00 1.00 C ATOM 997 CG1 VAL A 64 -9.361 -16.374 -29.867 1.00 23.00 C ATOM 998 CG2 VAL A 64 -8.796 -14.943 -27.895 1.00 51.00 C ATOM 0 H VAL A 64 -10.475 -12.655 -28.656 1.00 24.00 H new ATOM 0 HA VAL A 64 -8.555 -13.894 -30.487 1.00 15.00 H new ATOM 0 HB VAL A 64 -10.709 -15.146 -28.768 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.451 -17.223 -29.190 1.00 23.00 H new ATOM 0 HG12 VAL A 64 -10.059 -16.495 -30.695 1.00 23.00 H new ATOM 0 HG13 VAL A 64 -8.343 -16.326 -30.254 1.00 23.00 H new ATOM 0 HG21 VAL A 64 -8.909 -15.817 -27.254 1.00 51.00 H new ATOM 0 HG22 VAL A 64 -7.755 -14.853 -28.206 1.00 51.00 H new ATOM 0 HG23 VAL A 64 -9.089 -14.049 -27.344 1.00 51.00 H new ATOM 1008 N TYR A 65 -10.249 -13.832 -32.354 1.00 34.00 N ATOM 1009 CA TYR A 65 -11.206 -13.720 -33.437 1.00 54.00 C ATOM 1010 C TYR A 65 -10.903 -14.674 -34.589 1.00 34.00 C ATOM 1011 O TYR A 65 -9.985 -14.461 -35.357 1.00 70.00 O ATOM 1012 CB TYR A 65 -11.104 -12.283 -33.956 1.00 71.00 C ATOM 1013 CG TYR A 65 -12.124 -11.800 -34.993 1.00 13.00 C ATOM 1014 CD1 TYR A 65 -12.175 -12.323 -36.284 1.00 24.00 C ATOM 1015 CD2 TYR A 65 -12.999 -10.776 -34.679 1.00 21.00 C ATOM 1016 CE1 TYR A 65 -13.070 -11.844 -37.213 1.00 2.00 C ATOM 1017 CE2 TYR A 65 -13.901 -10.296 -35.602 1.00 32.00 C ATOM 1018 CZ TYR A 65 -13.932 -10.834 -36.865 1.00 64.00 C ATOM 1019 OH TYR A 65 -14.826 -10.347 -37.789 1.00 33.00 O ATOM 0 H TYR A 65 -9.274 -13.771 -32.646 1.00 34.00 H new ATOM 0 HA TYR A 65 -12.199 -13.973 -33.065 1.00 54.00 H new ATOM 0 HB2 TYR A 65 -11.166 -11.616 -33.096 1.00 71.00 H new ATOM 0 HB3 TYR A 65 -10.110 -12.157 -34.386 1.00 71.00 H new ATOM 0 HD1 TYR A 65 -11.499 -13.119 -36.560 1.00 24.00 H new ATOM 0 HD2 TYR A 65 -12.974 -10.344 -33.689 1.00 21.00 H new ATOM 0 HE1 TYR A 65 -13.094 -12.260 -38.209 1.00 2.00 H new ATOM 0 HE2 TYR A 65 -14.581 -9.501 -35.334 1.00 32.00 H new ATOM 0 HH TYR A 65 -15.363 -9.636 -37.381 1.00 33.00 H new ATOM 1029 N LYS A 66 -11.640 -15.713 -34.681 1.00 22.00 N ATOM 1030 CA LYS A 66 -11.690 -16.480 -35.831 1.00 31.00 C ATOM 1031 C LYS A 66 -12.920 -15.990 -36.528 1.00 52.00 C ATOM 1032 O LYS A 66 -13.894 -15.629 -35.876 1.00 15.00 O ATOM 1033 CB LYS A 66 -11.821 -17.970 -35.495 1.00 44.00 C ATOM 1034 CG LYS A 66 -11.932 -18.914 -36.700 1.00 35.00 C ATOM 1035 CD LYS A 66 -10.744 -18.771 -37.655 1.00 1.00 C ATOM 1036 CE LYS A 66 -10.695 -19.897 -38.689 1.00 1.00 C ATOM 1037 NZ LYS A 66 -11.873 -19.937 -39.589 1.00 11.00 N ATOM 0 H LYS A 66 -12.238 -16.051 -33.927 1.00 22.00 H new ATOM 0 HA LYS A 66 -10.788 -16.387 -36.436 1.00 31.00 H new ATOM 0 HB2 LYS A 66 -10.957 -18.268 -34.901 1.00 44.00 H new ATOM 0 HB3 LYS A 66 -12.701 -18.106 -34.867 1.00 44.00 H new ATOM 0 HG2 LYS A 66 -11.992 -19.944 -36.349 1.00 35.00 H new ATOM 0 HG3 LYS A 66 -12.857 -18.706 -37.239 1.00 35.00 H new ATOM 0 HD2 LYS A 66 -10.806 -17.811 -38.168 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -9.817 -18.766 -37.081 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -9.793 -19.785 -39.291 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -10.615 -20.852 -38.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -11.603 -20.368 -40.496 1.00 11.00 H new ATOM 0 HZ2 LYS A 66 -12.627 -20.501 -39.149 1.00 11.00 H new ATOM 0 HZ3 LYS A 66 -12.216 -18.969 -39.755 1.00 11.00 H new ATOM 1051 N ARG A 67 -12.862 -15.942 -37.799 1.00 13.00 N ATOM 1052 CA ARG A 67 -13.963 -15.524 -38.661 1.00 65.00 C ATOM 1053 C ARG A 67 -15.246 -16.381 -38.447 1.00 64.00 C ATOM 1054 O ARG A 67 -16.326 -16.031 -38.902 1.00 12.00 O ATOM 1055 CB ARG A 67 -13.481 -15.545 -40.123 1.00 14.00 C ATOM 1056 CG ARG A 67 -14.492 -15.092 -41.159 1.00 64.00 C ATOM 1057 CD ARG A 67 -15.069 -13.741 -40.805 1.00 33.00 C ATOM 1058 NE ARG A 67 -14.067 -12.662 -40.754 1.00 44.00 N ATOM 1059 CZ ARG A 67 -14.357 -11.363 -40.915 1.00 40.00 C ATOM 1060 NH1 ARG A 67 -15.592 -10.991 -41.261 1.00 2.00 N ATOM 1061 NH2 ARG A 67 -13.412 -10.446 -40.752 1.00 62.00 N ATOM 0 H ARG A 67 -12.023 -16.198 -38.319 1.00 13.00 H new ATOM 0 HA ARG A 67 -14.254 -14.508 -38.396 1.00 65.00 H new ATOM 0 HB2 ARG A 67 -12.598 -14.911 -40.204 1.00 14.00 H new ATOM 0 HB3 ARG A 67 -13.168 -16.560 -40.368 1.00 14.00 H new ATOM 0 HG2 ARG A 67 -14.016 -15.042 -42.138 1.00 64.00 H new ATOM 0 HG3 ARG A 67 -15.295 -15.825 -41.232 1.00 64.00 H new ATOM 0 HD2 ARG A 67 -15.834 -13.480 -41.536 1.00 33.00 H new ATOM 0 HD3 ARG A 67 -15.565 -13.810 -39.837 1.00 33.00 H new ATOM 0 HE ARG A 67 -13.094 -12.919 -40.586 1.00 44.00 H new ATOM 0 HH11 ARG A 67 -16.316 -11.695 -41.403 1.00 2.00 H new ATOM 0 HH12 ARG A 67 -15.811 -10.002 -41.383 1.00 2.00 H new ATOM 0 HH21 ARG A 67 -12.464 -10.729 -40.504 1.00 62.00 H new ATOM 0 HH22 ARG A 67 -13.634 -9.458 -40.875 1.00 62.00 H new ATOM 1075 N ASP A 68 -15.116 -17.471 -37.733 1.00 61.00 N ATOM 1076 CA ASP A 68 -16.257 -18.300 -37.420 1.00 43.00 C ATOM 1077 C ASP A 68 -16.778 -17.929 -36.092 1.00 52.00 C ATOM 1078 O ASP A 68 -17.987 -17.941 -35.865 1.00 2.00 O ATOM 1079 CB ASP A 68 -15.940 -19.790 -37.377 1.00 21.00 C ATOM 1080 CG ASP A 68 -15.361 -20.325 -38.630 1.00 51.00 C ATOM 1081 OD1 ASP A 68 -16.036 -20.304 -39.684 1.00 52.00 O ATOM 1082 OD2 ASP A 68 -14.194 -20.753 -38.600 1.00 12.00 O ATOM 0 H ASP A 68 -14.230 -17.807 -37.356 1.00 61.00 H new ATOM 0 HA ASP A 68 -16.979 -18.129 -38.218 1.00 43.00 H new ATOM 0 HB2 ASP A 68 -15.244 -19.978 -36.559 1.00 21.00 H new ATOM 0 HB3 ASP A 68 -16.854 -20.338 -37.150 1.00 21.00 H new ATOM 1087 N ARG A 69 -15.869 -17.551 -35.218 1.00 74.00 N ATOM 1088 CA ARG A 69 -16.210 -17.328 -33.864 1.00 12.00 C ATOM 1089 C ARG A 69 -15.078 -16.664 -33.086 1.00 4.00 C ATOM 1090 O ARG A 69 -13.933 -17.139 -33.063 1.00 52.00 O ATOM 1091 CB ARG A 69 -16.596 -18.655 -33.169 1.00 53.00 C ATOM 1092 CG ARG A 69 -17.026 -18.494 -31.719 1.00 33.00 C ATOM 1093 CD ARG A 69 -18.324 -17.712 -31.598 1.00 0.00 C ATOM 1094 NE ARG A 69 -18.651 -17.418 -30.203 1.00 52.00 N ATOM 1095 CZ ARG A 69 -19.880 -17.213 -29.720 1.00 3.00 C ATOM 1096 NH1 ARG A 69 -20.936 -17.222 -30.536 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -20.051 -16.976 -28.423 1.00 55.00 N ATOM 0 H ARG A 69 -14.886 -17.396 -35.442 1.00 74.00 H new ATOM 0 HA ARG A 69 -17.065 -16.652 -33.866 1.00 12.00 H new ATOM 0 HB2 ARG A 69 -17.407 -19.123 -33.727 1.00 53.00 H new ATOM 0 HB3 ARG A 69 -15.746 -19.336 -33.211 1.00 53.00 H new ATOM 0 HG2 ARG A 69 -17.151 -19.477 -31.266 1.00 33.00 H new ATOM 0 HG3 ARG A 69 -16.241 -17.983 -31.162 1.00 33.00 H new ATOM 0 HD2 ARG A 69 -18.240 -16.780 -32.156 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.136 -18.282 -32.050 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.875 -17.365 -29.543 1.00 52.00 H new ATOM 0 HH11 ARG A 69 -20.808 -17.386 -31.534 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -21.872 -17.065 -30.161 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.245 -16.951 -27.799 1.00 55.00 H new ATOM 0 HH22 ARG A 69 -20.988 -16.819 -28.052 1.00 55.00 H new ATOM 1111 N ILE A 70 -15.398 -15.538 -32.557 1.00 1.00 N ATOM 1112 CA ILE A 70 -14.646 -14.890 -31.527 1.00 1.00 C ATOM 1113 C ILE A 70 -14.956 -15.644 -30.291 1.00 12.00 C ATOM 1114 O ILE A 70 -16.113 -15.959 -30.013 1.00 61.00 O ATOM 1115 CB ILE A 70 -15.158 -13.469 -31.302 1.00 54.00 C ATOM 1116 CG1 ILE A 70 -15.055 -12.636 -32.551 1.00 0.00 C ATOM 1117 CG2 ILE A 70 -14.464 -12.789 -30.130 1.00 54.00 C ATOM 1118 CD1 ILE A 70 -15.678 -11.259 -32.432 1.00 15.00 C ATOM 0 H ILE A 70 -16.227 -15.015 -32.838 1.00 1.00 H new ATOM 0 HA ILE A 70 -13.588 -14.859 -31.786 1.00 1.00 H new ATOM 0 HB ILE A 70 -16.214 -13.555 -31.047 1.00 54.00 H new ATOM 0 HG12 ILE A 70 -14.003 -12.525 -32.815 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -15.535 -13.170 -33.371 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -14.860 -11.781 -30.008 1.00 54.00 H new ATOM 0 HG22 ILE A 70 -14.642 -13.362 -29.220 1.00 54.00 H new ATOM 0 HG23 ILE A 70 -13.392 -12.737 -30.322 1.00 54.00 H new ATOM 0 HD11 ILE A 70 -15.561 -10.724 -33.374 1.00 15.00 H new ATOM 0 HD12 ILE A 70 -16.738 -11.358 -32.200 1.00 15.00 H new ATOM 0 HD13 ILE A 70 -15.183 -10.703 -31.635 1.00 15.00 H new ATOM 1130 N VAL A 71 -13.982 -15.945 -29.573 1.00 21.00 N ATOM 1131 CA VAL A 71 -14.213 -16.662 -28.374 1.00 5.00 C ATOM 1132 C VAL A 71 -14.080 -15.769 -27.179 1.00 42.00 C ATOM 1133 O VAL A 71 -14.769 -15.945 -26.190 1.00 63.00 O ATOM 1134 CB VAL A 71 -13.440 -18.008 -28.258 1.00 63.00 C ATOM 1135 CG1 VAL A 71 -13.935 -18.962 -29.326 1.00 61.00 C ATOM 1136 CG2 VAL A 71 -11.956 -17.833 -28.412 1.00 42.00 C ATOM 0 H VAL A 71 -13.008 -15.718 -29.773 1.00 21.00 H new ATOM 0 HA VAL A 71 -15.251 -16.992 -28.410 1.00 5.00 H new ATOM 0 HB VAL A 71 -13.626 -18.406 -27.260 1.00 63.00 H new ATOM 0 HG11 VAL A 71 -13.396 -19.906 -29.248 1.00 61.00 H new ATOM 0 HG12 VAL A 71 -15.001 -19.140 -29.189 1.00 61.00 H new ATOM 0 HG13 VAL A 71 -13.764 -18.526 -30.310 1.00 61.00 H new ATOM 0 HG21 VAL A 71 -11.464 -18.802 -28.323 1.00 42.00 H new ATOM 0 HG22 VAL A 71 -11.740 -17.405 -29.391 1.00 42.00 H new ATOM 0 HG23 VAL A 71 -11.586 -17.165 -27.634 1.00 42.00 H new ATOM 1146 N LEU A 72 -13.273 -14.742 -27.320 1.00 71.00 N ATOM 1147 CA LEU A 72 -13.051 -13.778 -26.241 1.00 24.00 C ATOM 1148 C LEU A 72 -12.723 -12.435 -26.854 1.00 50.00 C ATOM 1149 O LEU A 72 -11.702 -12.301 -27.522 1.00 12.00 O ATOM 1150 CB LEU A 72 -11.882 -14.153 -25.269 1.00 75.00 C ATOM 1151 CG LEU A 72 -12.002 -15.413 -24.384 1.00 14.00 C ATOM 1152 CD1 LEU A 72 -11.568 -16.676 -25.099 1.00 52.00 C ATOM 1153 CD2 LEU A 72 -11.241 -15.238 -23.095 1.00 24.00 C ATOM 0 H LEU A 72 -12.751 -14.543 -28.174 1.00 71.00 H new ATOM 0 HA LEU A 72 -13.968 -13.767 -25.652 1.00 24.00 H new ATOM 0 HB2 LEU A 72 -10.979 -14.261 -25.870 1.00 75.00 H new ATOM 0 HB3 LEU A 72 -11.723 -13.302 -24.606 1.00 75.00 H new ATOM 0 HG LEU A 72 -13.060 -15.533 -24.153 1.00 14.00 H new ATOM 0 HD11 LEU A 72 -11.674 -17.529 -24.428 1.00 52.00 H new ATOM 0 HD12 LEU A 72 -12.191 -16.828 -25.980 1.00 52.00 H new ATOM 0 HD13 LEU A 72 -10.526 -16.582 -25.404 1.00 52.00 H new ATOM 0 HD21 LEU A 72 -11.340 -16.138 -22.489 1.00 24.00 H new ATOM 0 HD22 LEU A 72 -10.188 -15.063 -23.315 1.00 24.00 H new ATOM 0 HD23 LEU A 72 -11.644 -14.386 -22.548 1.00 24.00 H new ATOM 1165 N ASN A 73 -13.576 -11.459 -26.683 1.00 51.00 N ATOM 1166 CA ASN A 73 -13.279 -10.117 -27.215 1.00 74.00 C ATOM 1167 C ASN A 73 -13.203 -9.079 -26.136 1.00 70.00 C ATOM 1168 O ASN A 73 -13.056 -7.884 -26.410 1.00 43.00 O ATOM 1169 CB ASN A 73 -14.230 -9.637 -28.334 1.00 54.00 C ATOM 1170 CG ASN A 73 -15.663 -9.246 -27.911 1.00 74.00 C ATOM 1171 OD1 ASN A 73 -16.219 -8.306 -28.474 1.00 34.00 O ATOM 1172 ND2 ASN A 73 -16.307 -9.979 -27.027 1.00 4.00 N ATOM 0 H ASN A 73 -14.467 -11.544 -26.194 1.00 51.00 H new ATOM 0 HA ASN A 73 -12.297 -10.236 -27.672 1.00 74.00 H new ATOM 0 HB2 ASN A 73 -13.773 -8.776 -28.822 1.00 54.00 H new ATOM 0 HB3 ASN A 73 -14.300 -10.427 -29.082 1.00 54.00 H new ATOM 0 HD21 ASN A 73 -17.280 -9.769 -26.802 1.00 4.00 H new ATOM 0 HD22 ASN A 73 -15.833 -10.756 -26.567 1.00 4.00 H new ATOM 1179 N ASN A 74 -13.217 -9.519 -24.933 1.00 32.00 N ATOM 1180 CA ASN A 74 -13.207 -8.609 -23.830 1.00 10.00 C ATOM 1181 C ASN A 74 -12.318 -9.137 -22.747 1.00 35.00 C ATOM 1182 O ASN A 74 -12.762 -9.762 -21.770 1.00 30.00 O ATOM 1183 CB ASN A 74 -14.619 -8.288 -23.311 1.00 21.00 C ATOM 1184 CG ASN A 74 -14.647 -7.110 -22.330 1.00 52.00 C ATOM 1185 OD1 ASN A 74 -13.690 -6.846 -21.596 1.00 62.00 O ATOM 1186 ND2 ASN A 74 -15.735 -6.396 -22.315 1.00 53.00 N ATOM 0 H ASN A 74 -13.236 -10.506 -24.677 1.00 32.00 H new ATOM 0 HA ASN A 74 -12.804 -7.659 -24.182 1.00 10.00 H new ATOM 0 HB2 ASN A 74 -15.268 -8.063 -24.157 1.00 21.00 H new ATOM 0 HB3 ASN A 74 -15.029 -9.171 -22.821 1.00 21.00 H new ATOM 0 HD21 ASN A 74 -15.812 -5.596 -21.686 1.00 53.00 H new ATOM 0 HD22 ASN A 74 -16.511 -6.636 -22.932 1.00 53.00 H new ATOM 1193 N CYS A 75 -11.069 -8.984 -22.995 1.00 53.00 N ATOM 1194 CA CYS A 75 -10.029 -9.308 -22.081 1.00 41.00 C ATOM 1195 C CYS A 75 -9.202 -8.110 -21.917 1.00 3.00 C ATOM 1196 O CYS A 75 -8.700 -7.581 -22.897 1.00 3.00 O ATOM 1197 CB CYS A 75 -9.192 -10.467 -22.581 1.00 63.00 C ATOM 1198 SG CYS A 75 -9.973 -12.057 -22.316 1.00 13.00 S ATOM 0 H CYS A 75 -10.725 -8.613 -23.881 1.00 53.00 H new ATOM 0 HA CYS A 75 -10.456 -9.619 -21.128 1.00 41.00 H new ATOM 0 HB2 CYS A 75 -8.998 -10.336 -23.646 1.00 63.00 H new ATOM 0 HB3 CYS A 75 -8.225 -10.454 -22.077 1.00 63.00 H new ATOM 1203 N GLN A 76 -9.059 -7.671 -20.708 1.00 1.00 N ATOM 1204 CA GLN A 76 -8.395 -6.470 -20.423 1.00 44.00 C ATOM 1205 C GLN A 76 -7.429 -6.771 -19.361 1.00 42.00 C ATOM 1206 O GLN A 76 -7.763 -6.972 -18.203 1.00 72.00 O ATOM 1207 CB GLN A 76 -9.391 -5.374 -20.082 1.00 61.00 C ATOM 1208 CG GLN A 76 -10.220 -4.992 -21.301 1.00 20.00 C ATOM 1209 CD GLN A 76 -11.262 -3.945 -21.022 1.00 11.00 C ATOM 1210 OE1 GLN A 76 -10.985 -2.758 -21.111 1.00 2.00 O ATOM 1211 NE2 GLN A 76 -12.475 -4.363 -20.740 1.00 34.00 N ATOM 0 H GLN A 76 -9.413 -8.158 -19.884 1.00 1.00 H new ATOM 0 HA GLN A 76 -7.852 -6.077 -21.283 1.00 44.00 H new ATOM 0 HB2 GLN A 76 -10.049 -5.712 -19.281 1.00 61.00 H new ATOM 0 HB3 GLN A 76 -8.860 -4.498 -19.710 1.00 61.00 H new ATOM 0 HG2 GLN A 76 -9.553 -4.628 -22.083 1.00 20.00 H new ATOM 0 HG3 GLN A 76 -10.710 -5.885 -21.690 1.00 20.00 H new ATOM 0 HE21 GLN A 76 -12.668 -5.362 -20.674 1.00 34.00 H new ATOM 0 HE22 GLN A 76 -13.224 -3.688 -20.587 1.00 34.00 H new ATOM 1220 N LEU A 77 -6.256 -6.858 -19.793 1.00 74.00 N ATOM 1221 CA LEU A 77 -5.180 -7.385 -19.050 1.00 10.00 C ATOM 1222 C LEU A 77 -4.584 -6.357 -18.116 1.00 42.00 C ATOM 1223 O LEU A 77 -4.366 -5.212 -18.516 1.00 51.00 O ATOM 1224 CB LEU A 77 -4.135 -7.895 -20.046 1.00 23.00 C ATOM 1225 CG LEU A 77 -2.757 -8.278 -19.517 1.00 72.00 C ATOM 1226 CD1 LEU A 77 -2.849 -9.355 -18.466 1.00 13.00 C ATOM 1227 CD2 LEU A 77 -1.861 -8.697 -20.672 1.00 21.00 C ATOM 0 H LEU A 77 -5.988 -6.550 -20.728 1.00 74.00 H new ATOM 0 HA LEU A 77 -5.534 -8.199 -18.418 1.00 10.00 H new ATOM 0 HB2 LEU A 77 -4.553 -8.768 -20.548 1.00 23.00 H new ATOM 0 HB3 LEU A 77 -3.997 -7.126 -20.806 1.00 23.00 H new ATOM 0 HG LEU A 77 -2.314 -7.407 -19.034 1.00 72.00 H new ATOM 0 HD11 LEU A 77 -1.849 -9.603 -18.111 1.00 13.00 H new ATOM 0 HD12 LEU A 77 -3.452 -8.998 -17.631 1.00 13.00 H new ATOM 0 HD13 LEU A 77 -3.313 -10.243 -18.895 1.00 13.00 H new ATOM 0 HD21 LEU A 77 -0.878 -8.970 -20.289 1.00 21.00 H new ATOM 0 HD22 LEU A 77 -2.302 -9.553 -21.182 1.00 21.00 H new ATOM 0 HD23 LEU A 77 -1.760 -7.869 -21.373 1.00 21.00 H new ATOM 1239 N GLN A 78 -4.308 -6.750 -16.879 1.00 70.00 N ATOM 1240 CA GLN A 78 -3.666 -5.812 -15.979 1.00 22.00 C ATOM 1241 C GLN A 78 -2.153 -5.808 -16.148 1.00 51.00 C ATOM 1242 O GLN A 78 -1.556 -4.757 -16.389 1.00 24.00 O ATOM 1243 CB GLN A 78 -4.106 -6.009 -14.538 1.00 75.00 C ATOM 1244 CG GLN A 78 -5.491 -5.444 -14.281 1.00 61.00 C ATOM 1245 CD GLN A 78 -6.014 -5.755 -12.907 1.00 2.00 C ATOM 1246 OE1 GLN A 78 -5.768 -5.020 -11.949 1.00 34.00 O ATOM 1247 NE2 GLN A 78 -6.790 -6.787 -12.810 1.00 13.00 N ATOM 0 H GLN A 78 -4.509 -7.672 -16.491 1.00 70.00 H new ATOM 0 HA GLN A 78 -4.003 -4.814 -16.258 1.00 22.00 H new ATOM 0 HB2 GLN A 78 -4.099 -7.073 -14.300 1.00 75.00 H new ATOM 0 HB3 GLN A 78 -3.390 -5.528 -13.872 1.00 75.00 H new ATOM 0 HG2 GLN A 78 -5.466 -4.363 -14.416 1.00 61.00 H new ATOM 0 HG3 GLN A 78 -6.182 -5.842 -15.024 1.00 61.00 H new ATOM 0 HE21 GLN A 78 -6.968 -7.370 -13.628 1.00 13.00 H new ATOM 0 HE22 GLN A 78 -7.223 -7.017 -11.916 1.00 13.00 H new ATOM 1256 N ASN A 79 -1.545 -6.974 -16.092 1.00 64.00 N ATOM 1257 CA ASN A 79 -0.120 -7.113 -16.231 1.00 31.00 C ATOM 1258 C ASN A 79 0.141 -8.569 -16.347 1.00 72.00 C ATOM 1259 O ASN A 79 -0.239 -9.321 -15.461 1.00 12.00 O ATOM 1260 CB ASN A 79 0.616 -6.537 -15.010 1.00 43.00 C ATOM 1261 CG ASN A 79 2.126 -6.717 -15.064 1.00 64.00 C ATOM 1262 OD1 ASN A 79 2.746 -6.779 -16.143 1.00 41.00 O ATOM 1263 ND2 ASN A 79 2.727 -6.803 -13.911 1.00 44.00 N ATOM 0 H ASN A 79 -2.035 -7.857 -15.947 1.00 64.00 H new ATOM 0 HA ASN A 79 0.240 -6.566 -17.102 1.00 31.00 H new ATOM 0 HB2 ASN A 79 0.389 -5.474 -14.928 1.00 43.00 H new ATOM 0 HB3 ASN A 79 0.234 -7.015 -14.108 1.00 43.00 H new ATOM 0 HD21 ASN A 79 3.739 -6.925 -13.871 1.00 44.00 H new ATOM 0 HD22 ASN A 79 2.186 -6.748 -13.048 1.00 44.00 H new ATOM 1270 N PRO A 80 0.695 -9.025 -17.470 1.00 60.00 N ATOM 1271 CA PRO A 80 0.923 -10.433 -17.682 1.00 45.00 C ATOM 1272 C PRO A 80 1.948 -11.056 -16.723 1.00 5.00 C ATOM 1273 O PRO A 80 1.957 -12.285 -16.509 1.00 74.00 O ATOM 1274 CB PRO A 80 1.401 -10.527 -19.123 1.00 4.00 C ATOM 1275 CG PRO A 80 1.949 -9.179 -19.416 1.00 11.00 C ATOM 1276 CD PRO A 80 1.073 -8.234 -18.660 1.00 3.00 C ATOM 0 HA PRO A 80 0.011 -10.997 -17.487 1.00 45.00 H new ATOM 0 HB2 PRO A 80 2.161 -11.300 -19.240 1.00 4.00 H new ATOM 0 HB3 PRO A 80 0.583 -10.779 -19.798 1.00 4.00 H new ATOM 0 HG2 PRO A 80 2.988 -9.097 -19.096 1.00 11.00 H new ATOM 0 HG3 PRO A 80 1.928 -8.968 -20.485 1.00 11.00 H new ATOM 0 HD2 PRO A 80 1.602 -7.321 -18.388 1.00 3.00 H new ATOM 0 HD3 PRO A 80 0.201 -7.936 -19.242 1.00 3.00 H new ATOM 1284 N GLN A 81 2.809 -10.241 -16.154 1.00 4.00 N ATOM 1285 CA GLN A 81 3.761 -10.757 -15.247 1.00 15.00 C ATOM 1286 C GLN A 81 3.201 -10.739 -13.831 1.00 73.00 C ATOM 1287 O GLN A 81 3.311 -9.764 -13.082 1.00 42.00 O ATOM 1288 CB GLN A 81 5.147 -10.126 -15.387 1.00 61.00 C ATOM 1289 CG GLN A 81 5.222 -8.681 -15.051 1.00 12.00 C ATOM 1290 CD GLN A 81 6.587 -8.115 -15.313 1.00 54.00 C ATOM 1291 OE1 GLN A 81 7.467 -8.162 -14.462 1.00 64.00 O ATOM 1292 NE2 GLN A 81 6.778 -7.556 -16.479 1.00 55.00 N ATOM 0 H GLN A 81 2.855 -9.234 -16.312 1.00 4.00 H new ATOM 0 HA GLN A 81 3.940 -11.800 -15.506 1.00 15.00 H new ATOM 0 HB2 GLN A 81 5.842 -10.668 -14.745 1.00 61.00 H new ATOM 0 HB3 GLN A 81 5.488 -10.262 -16.413 1.00 61.00 H new ATOM 0 HG2 GLN A 81 4.484 -8.133 -15.637 1.00 12.00 H new ATOM 0 HG3 GLN A 81 4.965 -8.539 -14.001 1.00 12.00 H new ATOM 0 HE21 GLN A 81 6.023 -7.535 -17.164 1.00 55.00 H new ATOM 0 HE22 GLN A 81 7.682 -7.141 -16.704 1.00 55.00 H new ATOM 1301 N ARG A 82 2.492 -11.792 -13.584 1.00 20.00 N ATOM 1302 CA ARG A 82 1.820 -12.130 -12.327 1.00 50.00 C ATOM 1303 C ARG A 82 2.643 -11.768 -11.091 1.00 54.00 C ATOM 1304 O ARG A 82 3.598 -12.495 -10.755 1.00 15.00 O ATOM 1305 CB ARG A 82 1.454 -13.627 -12.326 1.00 30.00 C ATOM 1306 CG ARG A 82 2.579 -14.529 -12.837 1.00 73.00 C ATOM 1307 CD ARG A 82 2.268 -16.000 -12.666 1.00 74.00 C ATOM 1308 NE ARG A 82 2.208 -16.380 -11.251 1.00 40.00 N ATOM 1309 CZ ARG A 82 3.244 -16.849 -10.537 1.00 62.00 C ATOM 1310 NH1 ARG A 82 4.461 -16.957 -11.093 1.00 63.00 N ATOM 1311 NH2 ARG A 82 3.065 -17.210 -9.279 1.00 75.00 N ATOM 1312 OXT ARG A 82 2.318 -10.754 -10.435 1.00 4.00 O ATOM 0 H ARG A 82 2.343 -12.506 -14.297 1.00 20.00 H new ATOM 0 HA ARG A 82 0.913 -11.528 -12.269 1.00 50.00 H new ATOM 0 HB2 ARG A 82 1.190 -13.928 -11.312 1.00 30.00 H new ATOM 0 HB3 ARG A 82 0.569 -13.777 -12.944 1.00 30.00 H new ATOM 0 HG2 ARG A 82 2.757 -14.319 -13.892 1.00 73.00 H new ATOM 0 HG3 ARG A 82 3.500 -14.292 -12.305 1.00 73.00 H new ATOM 0 HD2 ARG A 82 1.316 -16.229 -13.145 1.00 74.00 H new ATOM 0 HD3 ARG A 82 3.030 -16.594 -13.171 1.00 74.00 H new ATOM 0 HE ARG A 82 1.312 -16.281 -10.773 1.00 40.00 H new ATOM 0 HH11 ARG A 82 4.604 -16.682 -12.065 1.00 63.00 H new ATOM 0 HH12 ARG A 82 5.243 -17.314 -10.544 1.00 63.00 H new ATOM 0 HH21 ARG A 82 2.142 -17.132 -8.853 1.00 75.00 H new ATOM 0 HH22 ARG A 82 3.850 -17.567 -8.734 1.00 75.00 H new TER 1326 ARG A 82