USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 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 24 GLN : amide:sc= 0 X(o=-1.3,f=-1.4) USER MOD Set 1.2: A 39 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.8!) USER MOD Set 1.3: A 48 TYR OH : 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+ 180:sc= 0 (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= 0.255 USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.0904 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= 1.27 (180deg=1.11) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0.967 (180deg=0.758) USER MOD Single : A 20 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.6!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.059) 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= 1.15 K(o=1.1,f=-0.035) USER MOD Single : A 33 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 1.52 (180deg=1.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 49 THR OG1 : rot 120:sc= -0.162 USER MOD Single : A 53 TYR OH : rot 53:sc= 1.12 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 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.192 (180deg=0.133) USER MOD Single : A 73 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 78 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 79 ASN : amide:sc= 1.02 K(o=1,f=-0.13) USER MOD Single : A 81 GLN : amide:sc= -0.88 K(o=-0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.012 -24.753 -15.095 1.00 25.00 N ATOM 2 CA MET A 1 4.421 -23.528 -15.617 1.00 53.00 C ATOM 3 C MET A 1 5.181 -22.323 -15.085 1.00 1.00 C ATOM 4 O MET A 1 5.016 -21.931 -13.933 1.00 74.00 O ATOM 5 CB MET A 1 2.935 -23.444 -15.236 1.00 73.00 C ATOM 6 CG MET A 1 2.224 -22.193 -15.738 1.00 4.00 C ATOM 7 SD MET A 1 0.478 -22.155 -15.269 1.00 70.00 S ATOM 8 CE MET A 1 -0.012 -20.568 -15.942 1.00 40.00 C ATOM 0 H1 MET A 1 4.489 -25.574 -15.461 1.00 25.00 H new ATOM 0 H2 MET A 1 6.006 -24.814 -15.394 1.00 25.00 H new ATOM 0 H3 MET A 1 4.963 -24.747 -14.056 1.00 25.00 H new ATOM 0 HA MET A 1 4.491 -23.535 -16.705 1.00 53.00 H new ATOM 0 HB2 MET A 1 2.422 -24.321 -15.630 1.00 73.00 H new ATOM 0 HB3 MET A 1 2.848 -23.485 -14.150 1.00 73.00 H new ATOM 0 HG2 MET A 1 2.724 -21.310 -15.339 1.00 4.00 H new ATOM 0 HG3 MET A 1 2.307 -22.143 -16.824 1.00 4.00 H new ATOM 0 HE1 MET A 1 -1.068 -20.395 -15.735 1.00 40.00 H new ATOM 0 HE2 MET A 1 0.582 -19.778 -15.482 1.00 40.00 H new ATOM 0 HE3 MET A 1 0.152 -20.564 -17.020 1.00 40.00 H new ATOM 18 N GLN A 2 6.046 -21.773 -15.914 1.00 71.00 N ATOM 19 CA GLN A 2 6.874 -20.608 -15.571 1.00 4.00 C ATOM 20 C GLN A 2 6.793 -19.607 -16.708 1.00 51.00 C ATOM 21 O GLN A 2 7.642 -18.726 -16.874 1.00 73.00 O ATOM 22 CB GLN A 2 8.320 -21.054 -15.335 1.00 43.00 C ATOM 23 CG GLN A 2 8.468 -21.980 -14.138 1.00 12.00 C ATOM 24 CD GLN A 2 9.841 -22.579 -14.011 1.00 64.00 C ATOM 25 OE1 GLN A 2 10.730 -22.018 -13.369 1.00 5.00 O ATOM 26 NE2 GLN A 2 10.032 -23.719 -14.611 1.00 1.00 N ATOM 0 H GLN A 2 6.204 -22.119 -16.860 1.00 71.00 H new ATOM 0 HA GLN A 2 6.512 -20.140 -14.656 1.00 4.00 H new ATOM 0 HB2 GLN A 2 8.688 -21.561 -16.227 1.00 43.00 H new ATOM 0 HB3 GLN A 2 8.946 -20.174 -15.187 1.00 43.00 H new ATOM 0 HG2 GLN A 2 8.236 -21.426 -13.229 1.00 12.00 H new ATOM 0 HG3 GLN A 2 7.735 -22.783 -14.217 1.00 12.00 H new ATOM 0 HE21 GLN A 2 9.272 -24.154 -15.134 1.00 1.00 H new ATOM 0 HE22 GLN A 2 10.942 -24.177 -14.558 1.00 1.00 H new ATOM 35 N THR A 3 5.753 -19.769 -17.470 1.00 20.00 N ATOM 36 CA THR A 3 5.436 -18.972 -18.607 1.00 4.00 C ATOM 37 C THR A 3 4.869 -17.634 -18.190 1.00 74.00 C ATOM 38 O THR A 3 4.348 -17.481 -17.062 1.00 75.00 O ATOM 39 CB THR A 3 4.380 -19.732 -19.394 1.00 22.00 C ATOM 40 OG1 THR A 3 4.072 -20.965 -18.672 1.00 11.00 O ATOM 41 CG2 THR A 3 4.897 -20.061 -20.770 1.00 2.00 C ATOM 0 H THR A 3 5.067 -20.504 -17.301 1.00 20.00 H new ATOM 0 HA THR A 3 6.334 -18.787 -19.197 1.00 4.00 H new ATOM 0 HB THR A 3 3.483 -19.122 -19.500 1.00 22.00 H new ATOM 0 HG1 THR A 3 3.390 -21.470 -19.163 1.00 11.00 H new ATOM 0 HG21 THR A 3 4.133 -20.605 -21.325 1.00 2.00 H new ATOM 0 HG22 THR A 3 5.141 -19.139 -21.297 1.00 2.00 H new ATOM 0 HG23 THR A 3 5.792 -20.678 -20.685 1.00 2.00 H new ATOM 49 N ASP A 4 4.961 -16.667 -19.072 1.00 3.00 N ATOM 50 CA ASP A 4 4.374 -15.384 -18.792 1.00 63.00 C ATOM 51 C ASP A 4 2.906 -15.463 -19.195 1.00 43.00 C ATOM 52 O ASP A 4 2.525 -16.398 -19.907 1.00 64.00 O ATOM 53 CB ASP A 4 5.137 -14.252 -19.499 1.00 35.00 C ATOM 54 CG ASP A 4 4.677 -12.869 -19.086 1.00 53.00 C ATOM 55 OD1 ASP A 4 5.016 -12.423 -17.966 1.00 2.00 O ATOM 56 OD2 ASP A 4 4.020 -12.190 -19.879 1.00 53.00 O ATOM 0 H ASP A 4 5.429 -16.744 -19.975 1.00 3.00 H new ATOM 0 HA ASP A 4 4.442 -15.144 -17.731 1.00 63.00 H new ATOM 0 HB2 ASP A 4 6.201 -14.352 -19.285 1.00 35.00 H new ATOM 0 HB3 ASP A 4 5.017 -14.360 -20.577 1.00 35.00 H new ATOM 61 N THR A 5 2.079 -14.557 -18.762 1.00 52.00 N ATOM 62 CA THR A 5 0.675 -14.696 -19.026 1.00 40.00 C ATOM 63 C THR A 5 0.029 -13.334 -19.132 1.00 54.00 C ATOM 64 O THR A 5 0.715 -12.332 -19.228 1.00 30.00 O ATOM 65 CB THR A 5 -0.012 -15.607 -17.924 1.00 12.00 C ATOM 66 OG1 THR A 5 -1.440 -15.762 -18.133 1.00 61.00 O ATOM 67 CG2 THR A 5 0.237 -15.072 -16.518 1.00 24.00 C ATOM 0 H THR A 5 2.345 -13.726 -18.233 1.00 52.00 H new ATOM 0 HA THR A 5 0.536 -15.198 -19.983 1.00 40.00 H new ATOM 0 HB THR A 5 0.452 -16.588 -18.024 1.00 12.00 H new ATOM 0 HG1 THR A 5 -1.885 -15.887 -17.269 1.00 61.00 H new ATOM 0 HG21 THR A 5 -0.249 -15.722 -15.790 1.00 24.00 H new ATOM 0 HG22 THR A 5 1.309 -15.046 -16.323 1.00 24.00 H new ATOM 0 HG23 THR A 5 -0.171 -14.065 -16.434 1.00 24.00 H new ATOM 75 N LEU A 6 -1.259 -13.303 -19.219 1.00 22.00 N ATOM 76 CA LEU A 6 -1.969 -12.060 -19.184 1.00 15.00 C ATOM 77 C LEU A 6 -2.766 -11.917 -17.900 1.00 64.00 C ATOM 78 O LEU A 6 -2.329 -12.395 -16.869 1.00 63.00 O ATOM 79 CB LEU A 6 -2.747 -11.802 -20.476 1.00 72.00 C ATOM 80 CG LEU A 6 -1.853 -11.537 -21.698 1.00 14.00 C ATOM 81 CD1 LEU A 6 -2.682 -11.351 -22.938 1.00 13.00 C ATOM 82 CD2 LEU A 6 -0.974 -10.307 -21.475 1.00 51.00 C ATOM 0 H LEU A 6 -1.849 -14.129 -19.316 1.00 22.00 H new ATOM 0 HA LEU A 6 -1.245 -11.245 -19.153 1.00 15.00 H new ATOM 0 HB2 LEU A 6 -3.384 -12.662 -20.683 1.00 72.00 H new ATOM 0 HB3 LEU A 6 -3.406 -10.946 -20.327 1.00 72.00 H new ATOM 0 HG LEU A 6 -1.211 -12.408 -21.832 1.00 14.00 H new ATOM 0 HD11 LEU A 6 -2.027 -11.165 -23.789 1.00 13.00 H new ATOM 0 HD12 LEU A 6 -3.269 -12.251 -23.122 1.00 13.00 H new ATOM 0 HD13 LEU A 6 -3.352 -10.502 -22.804 1.00 13.00 H new ATOM 0 HD21 LEU A 6 -0.351 -10.141 -22.354 1.00 51.00 H new ATOM 0 HD22 LEU A 6 -1.605 -9.434 -21.307 1.00 51.00 H new ATOM 0 HD23 LEU A 6 -0.338 -10.467 -20.604 1.00 51.00 H new ATOM 94 N GLU A 7 -3.915 -11.275 -17.962 1.00 5.00 N ATOM 95 CA GLU A 7 -4.702 -10.917 -16.783 1.00 33.00 C ATOM 96 C GLU A 7 -5.292 -12.164 -16.147 1.00 73.00 C ATOM 97 O GLU A 7 -5.641 -12.188 -14.966 1.00 24.00 O ATOM 98 CB GLU A 7 -5.807 -9.937 -17.209 1.00 61.00 C ATOM 99 CG GLU A 7 -6.747 -9.535 -16.088 1.00 11.00 C ATOM 100 CD GLU A 7 -7.831 -8.558 -16.508 1.00 53.00 C ATOM 101 OE1 GLU A 7 -7.604 -7.348 -16.430 1.00 21.00 O ATOM 102 OE2 GLU A 7 -8.941 -8.992 -16.883 1.00 65.00 O ATOM 0 H GLU A 7 -4.340 -10.980 -18.841 1.00 5.00 H new ATOM 0 HA GLU A 7 -4.065 -10.438 -16.039 1.00 33.00 H new ATOM 0 HB2 GLU A 7 -5.343 -9.040 -17.619 1.00 61.00 H new ATOM 0 HB3 GLU A 7 -6.389 -10.390 -18.012 1.00 61.00 H new ATOM 0 HG2 GLU A 7 -7.217 -10.431 -15.684 1.00 11.00 H new ATOM 0 HG3 GLU A 7 -6.164 -9.090 -15.282 1.00 11.00 H new ATOM 109 N TYR A 8 -5.332 -13.199 -16.949 1.00 31.00 N ATOM 110 CA TYR A 8 -5.871 -14.504 -16.659 1.00 44.00 C ATOM 111 C TYR A 8 -7.317 -14.586 -16.097 1.00 74.00 C ATOM 112 O TYR A 8 -7.846 -15.679 -15.930 1.00 62.00 O ATOM 113 CB TYR A 8 -4.876 -15.459 -15.960 1.00 55.00 C ATOM 114 CG TYR A 8 -4.285 -15.015 -14.640 1.00 44.00 C ATOM 115 CD1 TYR A 8 -4.959 -15.214 -13.449 1.00 13.00 C ATOM 116 CD2 TYR A 8 -3.029 -14.426 -14.590 1.00 21.00 C ATOM 117 CE1 TYR A 8 -4.401 -14.836 -12.249 1.00 35.00 C ATOM 118 CE2 TYR A 8 -2.468 -14.041 -13.396 1.00 1.00 C ATOM 119 CZ TYR A 8 -3.158 -14.248 -12.228 1.00 63.00 C ATOM 120 OH TYR A 8 -2.593 -13.883 -11.027 1.00 40.00 O ATOM 0 H TYR A 8 -4.959 -13.146 -17.897 1.00 31.00 H new ATOM 0 HA TYR A 8 -6.014 -14.891 -17.668 1.00 44.00 H new ATOM 0 HB2 TYR A 8 -5.382 -16.411 -15.798 1.00 55.00 H new ATOM 0 HB3 TYR A 8 -4.053 -15.649 -16.649 1.00 55.00 H new ATOM 0 HD1 TYR A 8 -5.937 -15.672 -13.461 1.00 13.00 H new ATOM 0 HD2 TYR A 8 -2.482 -14.267 -15.508 1.00 21.00 H new ATOM 0 HE1 TYR A 8 -4.938 -15.001 -11.326 1.00 35.00 H new ATOM 0 HE2 TYR A 8 -1.492 -13.579 -13.377 1.00 1.00 H new ATOM 0 HH TYR A 8 -1.713 -13.483 -11.188 1.00 40.00 H new ATOM 130 N GLN A 9 -7.966 -13.458 -15.895 1.00 2.00 N ATOM 131 CA GLN A 9 -9.307 -13.390 -15.322 1.00 75.00 C ATOM 132 C GLN A 9 -9.999 -12.242 -15.923 1.00 23.00 C ATOM 133 O GLN A 9 -10.308 -11.253 -15.278 1.00 5.00 O ATOM 134 CB GLN A 9 -9.280 -13.265 -13.806 1.00 24.00 C ATOM 135 CG GLN A 9 -8.761 -14.496 -13.156 1.00 52.00 C ATOM 136 CD GLN A 9 -8.591 -14.365 -11.665 1.00 31.00 C ATOM 137 OE1 GLN A 9 -7.527 -13.959 -11.182 1.00 23.00 O ATOM 138 NE2 GLN A 9 -9.597 -14.722 -10.927 1.00 44.00 N ATOM 0 H GLN A 9 -7.576 -12.544 -16.126 1.00 2.00 H new ATOM 0 HA GLN A 9 -9.835 -14.317 -15.543 1.00 75.00 H new ATOM 0 HB2 GLN A 9 -8.658 -12.416 -13.523 1.00 24.00 H new ATOM 0 HB3 GLN A 9 -10.286 -13.059 -13.441 1.00 24.00 H new ATOM 0 HG2 GLN A 9 -9.442 -15.321 -13.364 1.00 52.00 H new ATOM 0 HG3 GLN A 9 -7.800 -14.755 -13.601 1.00 52.00 H new ATOM 0 HE21 GLN A 9 -10.458 -15.052 -11.363 1.00 44.00 H new ATOM 0 HE22 GLN A 9 -9.527 -14.673 -9.911 1.00 44.00 H new ATOM 147 N CYS A 10 -10.213 -12.381 -17.157 1.00 40.00 N ATOM 148 CA CYS A 10 -10.752 -11.326 -17.952 1.00 43.00 C ATOM 149 C CYS A 10 -12.254 -11.400 -17.940 1.00 52.00 C ATOM 150 O CYS A 10 -12.821 -12.411 -17.496 1.00 71.00 O ATOM 151 CB CYS A 10 -10.235 -11.448 -19.366 1.00 1.00 C ATOM 152 SG CYS A 10 -8.436 -11.716 -19.472 1.00 52.00 S ATOM 0 H CYS A 10 -10.022 -13.240 -17.673 1.00 40.00 H new ATOM 0 HA CYS A 10 -10.444 -10.364 -17.542 1.00 43.00 H new ATOM 0 HB2 CYS A 10 -10.746 -12.275 -19.859 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -10.491 -10.542 -19.916 1.00 1.00 H new ATOM 157 N ASP A 11 -12.889 -10.352 -18.439 1.00 1.00 N ATOM 158 CA ASP A 11 -14.348 -10.232 -18.477 1.00 24.00 C ATOM 159 C ASP A 11 -15.066 -11.489 -18.944 1.00 40.00 C ATOM 160 O ASP A 11 -15.811 -12.099 -18.184 1.00 43.00 O ATOM 161 CB ASP A 11 -14.771 -9.033 -19.320 1.00 11.00 C ATOM 162 CG ASP A 11 -16.259 -9.001 -19.605 1.00 23.00 C ATOM 163 OD1 ASP A 11 -17.059 -8.730 -18.684 1.00 43.00 O ATOM 164 OD2 ASP A 11 -16.645 -9.249 -20.761 1.00 54.00 O ATOM 0 H ASP A 11 -12.404 -9.547 -18.836 1.00 1.00 H new ATOM 0 HA ASP A 11 -14.655 -10.080 -17.442 1.00 24.00 H new ATOM 0 HB2 ASP A 11 -14.486 -8.116 -18.805 1.00 11.00 H new ATOM 0 HB3 ASP A 11 -14.227 -9.050 -20.264 1.00 11.00 H new ATOM 169 N GLU A 12 -14.808 -11.896 -20.146 1.00 51.00 N ATOM 170 CA GLU A 12 -15.525 -13.006 -20.719 1.00 74.00 C ATOM 171 C GLU A 12 -14.807 -14.338 -20.497 1.00 42.00 C ATOM 172 O GLU A 12 -15.440 -15.376 -20.319 1.00 11.00 O ATOM 173 CB GLU A 12 -15.725 -12.750 -22.210 1.00 35.00 C ATOM 174 CG GLU A 12 -16.503 -13.809 -22.945 1.00 53.00 C ATOM 175 CD GLU A 12 -17.975 -13.827 -22.607 1.00 21.00 C ATOM 176 OE1 GLU A 12 -18.736 -13.034 -23.196 1.00 24.00 O ATOM 177 OE2 GLU A 12 -18.400 -14.660 -21.790 1.00 61.00 O ATOM 0 H GLU A 12 -14.105 -11.479 -20.757 1.00 51.00 H new ATOM 0 HA GLU A 12 -16.490 -13.084 -20.218 1.00 74.00 H new ATOM 0 HB2 GLU A 12 -16.237 -11.795 -22.333 1.00 35.00 H new ATOM 0 HB3 GLU A 12 -14.746 -12.650 -22.679 1.00 35.00 H new ATOM 0 HG2 GLU A 12 -16.388 -13.653 -24.018 1.00 53.00 H new ATOM 0 HG3 GLU A 12 -16.075 -14.785 -22.717 1.00 53.00 H new ATOM 184 N LYS A 13 -13.501 -14.315 -20.444 1.00 54.00 N ATOM 185 CA LYS A 13 -12.743 -15.551 -20.453 1.00 52.00 C ATOM 186 C LYS A 13 -11.619 -15.441 -19.503 1.00 71.00 C ATOM 187 O LYS A 13 -11.084 -14.350 -19.312 1.00 12.00 O ATOM 188 CB LYS A 13 -12.108 -15.784 -21.838 1.00 22.00 C ATOM 189 CG LYS A 13 -13.059 -15.737 -23.003 1.00 22.00 C ATOM 190 CD LYS A 13 -14.050 -16.896 -22.978 1.00 24.00 C ATOM 191 CE LYS A 13 -15.058 -16.836 -24.104 1.00 0.00 C ATOM 192 NZ LYS A 13 -16.135 -17.817 -23.900 1.00 14.00 N ATOM 0 H LYS A 13 -12.939 -13.465 -20.394 1.00 54.00 H new ATOM 0 HA LYS A 13 -13.423 -16.362 -20.193 1.00 52.00 H new ATOM 0 HB2 LYS A 13 -11.333 -15.034 -21.994 1.00 22.00 H new ATOM 0 HB3 LYS A 13 -11.615 -16.756 -21.833 1.00 22.00 H new ATOM 0 HG2 LYS A 13 -13.604 -14.793 -22.988 1.00 22.00 H new ATOM 0 HG3 LYS A 13 -12.493 -15.764 -23.934 1.00 22.00 H new ATOM 0 HD2 LYS A 13 -13.502 -17.836 -23.038 1.00 24.00 H new ATOM 0 HD3 LYS A 13 -14.578 -16.895 -22.024 1.00 24.00 H new ATOM 0 HE2 LYS A 13 -15.481 -15.833 -24.165 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.560 -17.030 -25.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.464 -18.168 -24.822 1.00 14.00 H new ATOM 0 HZ2 LYS A 13 -15.777 -18.613 -23.334 1.00 14.00 H new ATOM 0 HZ3 LYS A 13 -16.926 -17.365 -23.399 1.00 14.00 H new ATOM 206 N PRO A 14 -11.244 -16.518 -18.863 1.00 44.00 N ATOM 207 CA PRO A 14 -10.035 -16.525 -18.135 1.00 10.00 C ATOM 208 C PRO A 14 -8.882 -16.708 -19.149 1.00 13.00 C ATOM 209 O PRO A 14 -8.793 -17.724 -19.833 1.00 10.00 O ATOM 210 CB PRO A 14 -10.169 -17.701 -17.167 1.00 24.00 C ATOM 211 CG PRO A 14 -11.161 -18.626 -17.804 1.00 53.00 C ATOM 212 CD PRO A 14 -11.989 -17.798 -18.758 1.00 20.00 C ATOM 0 HA PRO A 14 -9.829 -15.611 -17.577 1.00 10.00 H new ATOM 0 HB2 PRO A 14 -9.210 -18.197 -17.015 1.00 24.00 H new ATOM 0 HB3 PRO A 14 -10.514 -17.368 -16.188 1.00 24.00 H new ATOM 0 HG2 PRO A 14 -10.652 -19.431 -18.334 1.00 53.00 H new ATOM 0 HG3 PRO A 14 -11.794 -19.092 -17.049 1.00 53.00 H new ATOM 0 HD2 PRO A 14 -12.085 -18.285 -19.729 1.00 20.00 H new ATOM 0 HD3 PRO A 14 -12.999 -17.642 -18.378 1.00 20.00 H new ATOM 220 N LEU A 15 -8.033 -15.731 -19.242 1.00 73.00 N ATOM 221 CA LEU A 15 -7.028 -15.661 -20.269 1.00 0.00 C ATOM 222 C LEU A 15 -5.699 -16.009 -19.682 1.00 71.00 C ATOM 223 O LEU A 15 -4.850 -15.132 -19.429 1.00 35.00 O ATOM 224 CB LEU A 15 -7.020 -14.237 -20.837 1.00 15.00 C ATOM 225 CG LEU A 15 -5.955 -13.835 -21.867 1.00 33.00 C ATOM 226 CD1 LEU A 15 -6.114 -14.580 -23.147 1.00 54.00 C ATOM 227 CD2 LEU A 15 -6.014 -12.354 -22.124 1.00 72.00 C ATOM 0 H LEU A 15 -8.015 -14.942 -18.595 1.00 73.00 H new ATOM 0 HA LEU A 15 -7.242 -16.367 -21.072 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.995 -14.062 -21.292 1.00 15.00 H new ATOM 0 HB3 LEU A 15 -6.934 -13.551 -19.995 1.00 15.00 H new ATOM 0 HG LEU A 15 -4.981 -14.093 -21.450 1.00 33.00 H new ATOM 0 HD11 LEU A 15 -5.341 -14.267 -23.849 1.00 54.00 H new ATOM 0 HD12 LEU A 15 -6.021 -15.650 -22.959 1.00 54.00 H new ATOM 0 HD13 LEU A 15 -7.096 -14.370 -23.571 1.00 54.00 H new ATOM 0 HD21 LEU A 15 -5.254 -12.081 -22.856 1.00 72.00 H new ATOM 0 HD22 LEU A 15 -6.999 -12.090 -22.508 1.00 72.00 H new ATOM 0 HD23 LEU A 15 -5.832 -11.816 -21.194 1.00 72.00 H new ATOM 239 N THR A 16 -5.524 -17.246 -19.374 1.00 10.00 N ATOM 240 CA THR A 16 -4.289 -17.617 -18.823 1.00 41.00 C ATOM 241 C THR A 16 -3.377 -18.088 -19.940 1.00 51.00 C ATOM 242 O THR A 16 -3.400 -19.262 -20.351 1.00 61.00 O ATOM 243 CB THR A 16 -4.390 -18.659 -17.704 1.00 21.00 C ATOM 244 OG1 THR A 16 -5.532 -18.359 -16.875 1.00 25.00 O ATOM 245 CG2 THR A 16 -3.151 -18.544 -16.842 1.00 54.00 C ATOM 0 H THR A 16 -6.207 -17.994 -19.494 1.00 10.00 H new ATOM 0 HA THR A 16 -3.869 -16.735 -18.338 1.00 41.00 H new ATOM 0 HB THR A 16 -4.486 -19.657 -18.132 1.00 21.00 H new ATOM 0 HG1 THR A 16 -5.600 -19.025 -16.159 1.00 25.00 H new ATOM 0 HG21 THR A 16 -3.199 -19.277 -16.036 1.00 54.00 H new ATOM 0 HG22 THR A 16 -2.266 -18.731 -17.450 1.00 54.00 H new ATOM 0 HG23 THR A 16 -3.095 -17.542 -16.418 1.00 54.00 H new ATOM 253 N VAL A 17 -2.635 -17.153 -20.453 1.00 62.00 N ATOM 254 CA VAL A 17 -1.781 -17.353 -21.585 1.00 12.00 C ATOM 255 C VAL A 17 -0.519 -18.074 -21.172 1.00 70.00 C ATOM 256 O VAL A 17 -0.051 -17.916 -20.059 1.00 41.00 O ATOM 257 CB VAL A 17 -1.396 -15.982 -22.221 1.00 2.00 C ATOM 258 CG1 VAL A 17 -0.502 -16.145 -23.437 1.00 32.00 C ATOM 259 CG2 VAL A 17 -2.632 -15.205 -22.591 1.00 42.00 C ATOM 0 H VAL A 17 -2.606 -16.202 -20.085 1.00 62.00 H new ATOM 0 HA VAL A 17 -2.321 -17.956 -22.315 1.00 12.00 H new ATOM 0 HB VAL A 17 -0.833 -15.429 -21.469 1.00 2.00 H new ATOM 0 HG11 VAL A 17 -0.261 -15.164 -23.845 1.00 32.00 H new ATOM 0 HG12 VAL A 17 0.417 -16.654 -23.147 1.00 32.00 H new ATOM 0 HG13 VAL A 17 -1.020 -16.735 -24.193 1.00 32.00 H new ATOM 0 HG21 VAL A 17 -2.344 -14.251 -23.033 1.00 42.00 H new ATOM 0 HG22 VAL A 17 -3.219 -15.776 -23.311 1.00 42.00 H new ATOM 0 HG23 VAL A 17 -3.229 -15.025 -21.697 1.00 42.00 H new ATOM 269 N LYS A 18 -0.005 -18.900 -22.036 1.00 44.00 N ATOM 270 CA LYS A 18 1.277 -19.471 -21.804 1.00 53.00 C ATOM 271 C LYS A 18 2.202 -18.825 -22.764 1.00 34.00 C ATOM 272 O LYS A 18 2.483 -19.357 -23.843 1.00 60.00 O ATOM 273 CB LYS A 18 1.318 -20.999 -21.917 1.00 32.00 C ATOM 274 CG LYS A 18 0.622 -21.765 -20.783 1.00 15.00 C ATOM 275 CD LYS A 18 -0.878 -21.560 -20.772 1.00 42.00 C ATOM 276 CE LYS A 18 -1.519 -22.202 -19.563 1.00 63.00 C ATOM 277 NZ LYS A 18 -2.977 -22.015 -19.568 1.00 51.00 N ATOM 0 H LYS A 18 -0.457 -19.189 -22.904 1.00 44.00 H new ATOM 0 HA LYS A 18 1.569 -19.285 -20.771 1.00 53.00 H new ATOM 0 HB2 LYS A 18 0.859 -21.288 -22.862 1.00 32.00 H new ATOM 0 HB3 LYS A 18 2.360 -21.315 -21.959 1.00 32.00 H new ATOM 0 HG2 LYS A 18 0.838 -22.829 -20.883 1.00 15.00 H new ATOM 0 HG3 LYS A 18 1.035 -21.444 -19.827 1.00 15.00 H new ATOM 0 HD2 LYS A 18 -1.100 -20.493 -20.778 1.00 42.00 H new ATOM 0 HD3 LYS A 18 -1.310 -21.981 -21.680 1.00 42.00 H new ATOM 0 HE2 LYS A 18 -1.287 -23.267 -19.548 1.00 63.00 H new ATOM 0 HE3 LYS A 18 -1.098 -21.772 -18.654 1.00 63.00 H new ATOM 0 HZ1 LYS A 18 -3.356 -22.217 -18.621 1.00 51.00 H new ATOM 0 HZ2 LYS A 18 -3.200 -21.033 -19.828 1.00 51.00 H new ATOM 0 HZ3 LYS A 18 -3.408 -22.663 -20.258 1.00 51.00 H new ATOM 291 N LEU A 19 2.555 -17.623 -22.420 1.00 53.00 N ATOM 292 CA LEU A 19 3.354 -16.784 -23.209 1.00 23.00 C ATOM 293 C LEU A 19 4.789 -17.183 -23.062 1.00 42.00 C ATOM 294 O LEU A 19 5.427 -16.917 -22.037 1.00 63.00 O ATOM 295 CB LEU A 19 3.164 -15.357 -22.725 1.00 14.00 C ATOM 296 CG LEU A 19 3.128 -14.259 -23.763 1.00 42.00 C ATOM 297 CD1 LEU A 19 2.824 -12.934 -23.096 1.00 31.00 C ATOM 298 CD2 LEU A 19 4.414 -14.176 -24.573 1.00 45.00 C ATOM 0 H LEU A 19 2.272 -17.197 -21.538 1.00 53.00 H new ATOM 0 HA LEU A 19 3.071 -16.864 -24.259 1.00 23.00 H new ATOM 0 HB2 LEU A 19 2.232 -15.316 -22.162 1.00 14.00 H new ATOM 0 HB3 LEU A 19 3.969 -15.131 -22.026 1.00 14.00 H new ATOM 0 HG LEU A 19 2.334 -14.500 -24.470 1.00 42.00 H new ATOM 0 HD11 LEU A 19 2.799 -12.145 -23.848 1.00 31.00 H new ATOM 0 HD12 LEU A 19 1.856 -12.991 -22.598 1.00 31.00 H new ATOM 0 HD13 LEU A 19 3.598 -12.710 -22.361 1.00 31.00 H new ATOM 0 HD21 LEU A 19 4.333 -13.371 -25.303 1.00 45.00 H new ATOM 0 HD22 LEU A 19 5.252 -13.977 -23.905 1.00 45.00 H new ATOM 0 HD23 LEU A 19 4.579 -15.121 -25.091 1.00 45.00 H new ATOM 310 N ASN A 20 5.264 -17.884 -24.024 1.00 24.00 N ATOM 311 CA ASN A 20 6.667 -18.209 -24.085 1.00 25.00 C ATOM 312 C ASN A 20 7.315 -17.030 -24.791 1.00 51.00 C ATOM 313 O ASN A 20 7.347 -16.970 -26.026 1.00 42.00 O ATOM 314 CB ASN A 20 6.906 -19.523 -24.862 1.00 23.00 C ATOM 315 CG ASN A 20 8.327 -20.078 -24.728 1.00 53.00 C ATOM 316 OD1 ASN A 20 9.299 -19.342 -24.542 1.00 53.00 O ATOM 317 ND2 ASN A 20 8.459 -21.381 -24.841 1.00 22.00 N ATOM 0 H ASN A 20 4.707 -18.254 -24.794 1.00 24.00 H new ATOM 0 HA ASN A 20 7.088 -18.371 -23.093 1.00 25.00 H new ATOM 0 HB2 ASN A 20 6.199 -20.274 -24.510 1.00 23.00 H new ATOM 0 HB3 ASN A 20 6.692 -19.353 -25.917 1.00 23.00 H new ATOM 0 HD21 ASN A 20 9.383 -21.808 -24.775 1.00 22.00 H new ATOM 0 HD22 ASN A 20 7.637 -21.965 -24.995 1.00 22.00 H new ATOM 324 N ASN A 21 7.747 -16.069 -24.000 1.00 23.00 N ATOM 325 CA ASN A 21 8.204 -14.752 -24.484 1.00 2.00 C ATOM 326 C ASN A 21 9.303 -14.773 -25.560 1.00 42.00 C ATOM 327 O ASN A 21 9.095 -14.198 -26.620 1.00 71.00 O ATOM 328 CB ASN A 21 8.585 -13.822 -23.330 1.00 53.00 C ATOM 329 CG ASN A 21 9.038 -12.443 -23.807 1.00 22.00 C ATOM 330 OD1 ASN A 21 10.225 -12.210 -24.039 1.00 31.00 O ATOM 331 ND2 ASN A 21 8.110 -11.531 -23.961 1.00 33.00 N ATOM 0 H ASN A 21 7.797 -16.168 -22.986 1.00 23.00 H new ATOM 0 HA ASN A 21 7.329 -14.352 -24.996 1.00 2.00 H new ATOM 0 HB2 ASN A 21 7.730 -13.708 -22.663 1.00 53.00 H new ATOM 0 HB3 ASN A 21 9.384 -14.281 -22.748 1.00 53.00 H new ATOM 0 HD21 ASN A 21 8.362 -10.596 -24.282 1.00 33.00 H new ATOM 0 HD22 ASN A 21 7.136 -11.756 -23.760 1.00 33.00 H new ATOM 338 N PRO A 22 10.475 -15.455 -25.349 1.00 10.00 N ATOM 339 CA PRO A 22 11.584 -15.424 -26.327 1.00 14.00 C ATOM 340 C PRO A 22 11.198 -16.024 -27.678 1.00 5.00 C ATOM 341 O PRO A 22 11.850 -15.773 -28.702 1.00 72.00 O ATOM 342 CB PRO A 22 12.682 -16.272 -25.669 1.00 63.00 C ATOM 343 CG PRO A 22 12.326 -16.308 -24.226 1.00 71.00 C ATOM 344 CD PRO A 22 10.833 -16.286 -24.174 1.00 63.00 C ATOM 0 HA PRO A 22 11.889 -14.400 -26.545 1.00 14.00 H new ATOM 0 HB2 PRO A 22 12.713 -17.276 -26.093 1.00 63.00 H new ATOM 0 HB3 PRO A 22 13.667 -15.831 -25.822 1.00 63.00 H new ATOM 0 HG2 PRO A 22 12.721 -17.205 -23.748 1.00 71.00 H new ATOM 0 HG3 PRO A 22 12.748 -15.453 -23.698 1.00 71.00 H new ATOM 0 HD2 PRO A 22 10.411 -17.289 -24.244 1.00 63.00 H new ATOM 0 HD3 PRO A 22 10.467 -15.851 -23.244 1.00 63.00 H new ATOM 352 N ARG A 23 10.134 -16.789 -27.685 1.00 10.00 N ATOM 353 CA ARG A 23 9.680 -17.434 -28.907 1.00 45.00 C ATOM 354 C ARG A 23 8.472 -16.696 -29.493 1.00 73.00 C ATOM 355 O ARG A 23 8.282 -16.670 -30.710 1.00 55.00 O ATOM 356 CB ARG A 23 9.316 -18.906 -28.645 1.00 70.00 C ATOM 357 CG ARG A 23 8.868 -19.648 -29.900 1.00 15.00 C ATOM 358 CD ARG A 23 8.376 -21.050 -29.603 1.00 55.00 C ATOM 359 NE ARG A 23 9.399 -21.923 -29.038 1.00 13.00 N ATOM 360 CZ ARG A 23 9.173 -23.181 -28.635 1.00 33.00 C ATOM 361 NH1 ARG A 23 7.966 -23.726 -28.771 1.00 53.00 N ATOM 362 NH2 ARG A 23 10.160 -23.897 -28.122 1.00 75.00 N ATOM 0 H ARG A 23 9.562 -16.984 -26.863 1.00 10.00 H new ATOM 0 HA ARG A 23 10.497 -17.398 -29.627 1.00 45.00 H new ATOM 0 HB2 ARG A 23 10.179 -19.416 -28.218 1.00 70.00 H new ATOM 0 HB3 ARG A 23 8.520 -18.950 -27.902 1.00 70.00 H new ATOM 0 HG2 ARG A 23 8.073 -19.083 -30.387 1.00 15.00 H new ATOM 0 HG3 ARG A 23 9.699 -19.700 -30.603 1.00 15.00 H new ATOM 0 HD2 ARG A 23 7.537 -20.992 -28.909 1.00 55.00 H new ATOM 0 HD3 ARG A 23 7.998 -21.496 -30.523 1.00 55.00 H new ATOM 0 HE ARG A 23 10.345 -21.553 -28.944 1.00 13.00 H new ATOM 0 HH11 ARG A 23 7.206 -23.186 -29.184 1.00 53.00 H new ATOM 0 HH12 ARG A 23 7.801 -24.684 -28.462 1.00 53.00 H new ATOM 0 HH21 ARG A 23 11.092 -23.491 -28.034 1.00 75.00 H new ATOM 0 HH22 ARG A 23 9.989 -24.855 -27.815 1.00 75.00 H new ATOM 376 N GLN A 24 7.713 -16.054 -28.610 1.00 31.00 N ATOM 377 CA GLN A 24 6.446 -15.418 -28.918 1.00 44.00 C ATOM 378 C GLN A 24 5.415 -16.445 -29.363 1.00 72.00 C ATOM 379 O GLN A 24 4.759 -16.324 -30.414 1.00 34.00 O ATOM 380 CB GLN A 24 6.590 -14.244 -29.872 1.00 43.00 C ATOM 381 CG GLN A 24 7.275 -13.043 -29.243 1.00 3.00 C ATOM 382 CD GLN A 24 7.288 -11.837 -30.145 1.00 63.00 C ATOM 383 OE1 GLN A 24 6.372 -11.008 -30.108 1.00 13.00 O ATOM 384 NE2 GLN A 24 8.304 -11.724 -30.954 1.00 73.00 N ATOM 0 H GLN A 24 7.976 -15.962 -27.629 1.00 31.00 H new ATOM 0 HA GLN A 24 6.068 -14.975 -27.997 1.00 44.00 H new ATOM 0 HB2 GLN A 24 7.158 -14.562 -30.746 1.00 43.00 H new ATOM 0 HB3 GLN A 24 5.602 -13.947 -30.225 1.00 43.00 H new ATOM 0 HG2 GLN A 24 6.769 -12.789 -28.312 1.00 3.00 H new ATOM 0 HG3 GLN A 24 8.300 -13.309 -28.986 1.00 3.00 H new ATOM 0 HE21 GLN A 24 9.039 -12.432 -30.952 1.00 73.00 H new ATOM 0 HE22 GLN A 24 8.364 -10.928 -31.589 1.00 73.00 H new ATOM 393 N GLU A 25 5.298 -17.462 -28.538 1.00 21.00 N ATOM 394 CA GLU A 25 4.352 -18.532 -28.714 1.00 30.00 C ATOM 395 C GLU A 25 3.440 -18.515 -27.518 1.00 10.00 C ATOM 396 O GLU A 25 3.905 -18.413 -26.380 1.00 4.00 O ATOM 397 CB GLU A 25 5.074 -19.867 -28.772 1.00 30.00 C ATOM 398 CG GLU A 25 4.184 -21.078 -29.028 1.00 74.00 C ATOM 399 CD GLU A 25 4.952 -22.375 -28.947 1.00 54.00 C ATOM 400 OE1 GLU A 25 5.693 -22.707 -29.903 1.00 74.00 O ATOM 401 OE2 GLU A 25 4.834 -23.092 -27.926 1.00 2.00 O ATOM 0 H GLU A 25 5.876 -17.567 -27.704 1.00 21.00 H new ATOM 0 HA GLU A 25 3.796 -18.401 -29.642 1.00 30.00 H new ATOM 0 HB2 GLU A 25 5.829 -19.819 -29.557 1.00 30.00 H new ATOM 0 HB3 GLU A 25 5.602 -20.017 -27.830 1.00 30.00 H new ATOM 0 HG2 GLU A 25 3.373 -21.092 -28.300 1.00 74.00 H new ATOM 0 HG3 GLU A 25 3.726 -20.989 -30.013 1.00 74.00 H new ATOM 408 N VAL A 26 2.187 -18.574 -27.762 1.00 41.00 N ATOM 409 CA VAL A 26 1.197 -18.544 -26.692 1.00 1.00 C ATOM 410 C VAL A 26 0.290 -19.736 -26.735 1.00 1.00 C ATOM 411 O VAL A 26 -0.214 -20.107 -27.787 1.00 1.00 O ATOM 412 CB VAL A 26 0.325 -17.267 -26.735 1.00 33.00 C ATOM 413 CG1 VAL A 26 1.160 -16.026 -26.481 1.00 22.00 C ATOM 414 CG2 VAL A 26 -0.395 -17.131 -28.057 1.00 62.00 C ATOM 0 H VAL A 26 1.792 -18.645 -28.700 1.00 41.00 H new ATOM 0 HA VAL A 26 1.771 -18.555 -25.766 1.00 1.00 H new ATOM 0 HB VAL A 26 -0.418 -17.363 -25.943 1.00 33.00 H new ATOM 0 HG11 VAL A 26 0.521 -15.144 -26.517 1.00 22.00 H new ATOM 0 HG12 VAL A 26 1.626 -16.096 -25.498 1.00 22.00 H new ATOM 0 HG13 VAL A 26 1.933 -15.945 -27.245 1.00 22.00 H new ATOM 0 HG21 VAL A 26 -0.998 -16.223 -28.051 1.00 62.00 H new ATOM 0 HG22 VAL A 26 0.335 -17.077 -28.865 1.00 62.00 H new ATOM 0 HG23 VAL A 26 -1.042 -17.995 -28.210 1.00 62.00 H new ATOM 424 N SER A 27 0.116 -20.358 -25.622 1.00 73.00 N ATOM 425 CA SER A 27 -0.869 -21.370 -25.522 1.00 73.00 C ATOM 426 C SER A 27 -2.039 -20.719 -24.840 1.00 5.00 C ATOM 427 O SER A 27 -1.893 -20.170 -23.735 1.00 12.00 O ATOM 428 CB SER A 27 -0.362 -22.552 -24.721 1.00 51.00 C ATOM 429 OG SER A 27 0.976 -22.863 -25.094 1.00 31.00 O ATOM 0 H SER A 27 0.645 -20.182 -24.768 1.00 73.00 H new ATOM 0 HA SER A 27 -1.139 -21.765 -26.501 1.00 73.00 H new ATOM 0 HB2 SER A 27 -0.406 -22.324 -23.656 1.00 51.00 H new ATOM 0 HB3 SER A 27 -1.004 -23.417 -24.889 1.00 51.00 H new ATOM 0 HG SER A 27 1.293 -23.627 -24.568 1.00 31.00 H new ATOM 435 N PHE A 28 -3.142 -20.714 -25.486 1.00 71.00 N ATOM 436 CA PHE A 28 -4.296 -20.062 -24.993 1.00 31.00 C ATOM 437 C PHE A 28 -5.499 -20.950 -25.095 1.00 65.00 C ATOM 438 O PHE A 28 -5.599 -21.844 -25.958 1.00 1.00 O ATOM 439 CB PHE A 28 -4.474 -18.646 -25.622 1.00 0.00 C ATOM 440 CG PHE A 28 -5.835 -17.972 -25.439 1.00 24.00 C ATOM 441 CD1 PHE A 28 -6.391 -17.776 -24.186 1.00 23.00 C ATOM 442 CD2 PHE A 28 -6.550 -17.549 -26.538 1.00 51.00 C ATOM 443 CE1 PHE A 28 -7.639 -17.185 -24.050 1.00 21.00 C ATOM 444 CE2 PHE A 28 -7.787 -16.953 -26.406 1.00 5.00 C ATOM 445 CZ PHE A 28 -8.333 -16.773 -25.162 1.00 52.00 C ATOM 0 H PHE A 28 -3.272 -21.171 -26.389 1.00 71.00 H new ATOM 0 HA PHE A 28 -4.165 -19.873 -23.928 1.00 31.00 H new ATOM 0 HB2 PHE A 28 -3.712 -17.990 -25.202 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.275 -18.722 -26.691 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.848 -18.086 -23.306 1.00 23.00 H new ATOM 0 HD2 PHE A 28 -6.133 -17.687 -27.525 1.00 51.00 H new ATOM 0 HE1 PHE A 28 -8.066 -17.048 -23.067 1.00 21.00 H new ATOM 0 HE2 PHE A 28 -8.326 -16.628 -27.284 1.00 5.00 H new ATOM 0 HZ PHE A 28 -9.303 -16.310 -25.056 1.00 52.00 H new ATOM 455 N VAL A 29 -6.332 -20.750 -24.157 1.00 54.00 N ATOM 456 CA VAL A 29 -7.504 -21.460 -23.957 1.00 33.00 C ATOM 457 C VAL A 29 -8.630 -20.966 -24.877 1.00 40.00 C ATOM 458 O VAL A 29 -9.127 -19.846 -24.791 1.00 45.00 O ATOM 459 CB VAL A 29 -7.884 -21.405 -22.450 1.00 42.00 C ATOM 460 CG1 VAL A 29 -8.082 -19.971 -21.947 1.00 73.00 C ATOM 461 CG2 VAL A 29 -9.066 -22.298 -22.131 1.00 0.00 C ATOM 0 H VAL A 29 -6.191 -20.023 -23.456 1.00 54.00 H new ATOM 0 HA VAL A 29 -7.346 -22.504 -24.228 1.00 33.00 H new ATOM 0 HB VAL A 29 -7.032 -21.803 -21.899 1.00 42.00 H new ATOM 0 HG11 VAL A 29 -8.346 -19.990 -20.890 1.00 73.00 H new ATOM 0 HG12 VAL A 29 -7.158 -19.408 -22.081 1.00 73.00 H new ATOM 0 HG13 VAL A 29 -8.883 -19.494 -22.512 1.00 73.00 H new ATOM 0 HG21 VAL A 29 -9.298 -22.229 -21.068 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.931 -21.978 -22.712 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.821 -23.330 -22.383 1.00 0.00 H new ATOM 471 N TYR A 30 -9.013 -21.833 -25.737 1.00 15.00 N ATOM 472 CA TYR A 30 -10.109 -21.648 -26.662 1.00 50.00 C ATOM 473 C TYR A 30 -11.356 -21.993 -25.914 1.00 4.00 C ATOM 474 O TYR A 30 -11.995 -23.034 -26.129 1.00 2.00 O ATOM 475 CB TYR A 30 -9.946 -22.526 -27.919 1.00 55.00 C ATOM 476 CG TYR A 30 -11.088 -22.446 -28.940 1.00 61.00 C ATOM 477 CD1 TYR A 30 -11.602 -21.225 -29.366 1.00 43.00 C ATOM 478 CD2 TYR A 30 -11.652 -23.604 -29.461 1.00 3.00 C ATOM 479 CE1 TYR A 30 -12.633 -21.164 -30.282 1.00 23.00 C ATOM 480 CE2 TYR A 30 -12.684 -23.551 -30.377 1.00 23.00 C ATOM 481 CZ TYR A 30 -13.170 -22.331 -30.784 1.00 63.00 C ATOM 482 OH TYR A 30 -14.197 -22.276 -31.696 1.00 55.00 O ATOM 0 H TYR A 30 -8.560 -22.742 -25.834 1.00 15.00 H new ATOM 0 HA TYR A 30 -10.141 -20.620 -27.022 1.00 50.00 H new ATOM 0 HB2 TYR A 30 -9.018 -22.246 -28.417 1.00 55.00 H new ATOM 0 HB3 TYR A 30 -9.838 -23.564 -27.603 1.00 55.00 H new ATOM 0 HD1 TYR A 30 -11.187 -20.309 -28.973 1.00 43.00 H new ATOM 0 HD2 TYR A 30 -11.276 -24.565 -29.143 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -13.017 -20.207 -30.604 1.00 23.00 H new ATOM 0 HE2 TYR A 30 -13.107 -24.463 -30.772 1.00 23.00 H new ATOM 0 HH TYR A 30 -14.459 -23.186 -31.949 1.00 55.00 H new ATOM 492 N ASP A 31 -11.582 -21.183 -24.929 1.00 1.00 N ATOM 493 CA ASP A 31 -12.677 -21.258 -24.009 1.00 23.00 C ATOM 494 C ASP A 31 -12.543 -22.427 -23.024 1.00 33.00 C ATOM 495 O ASP A 31 -12.488 -22.216 -21.813 1.00 23.00 O ATOM 496 CB ASP A 31 -14.041 -21.207 -24.708 1.00 4.00 C ATOM 497 CG ASP A 31 -15.204 -21.259 -23.758 1.00 51.00 C ATOM 498 OD1 ASP A 31 -15.505 -20.237 -23.124 1.00 33.00 O ATOM 499 OD2 ASP A 31 -15.887 -22.293 -23.696 1.00 24.00 O ATOM 0 H ASP A 31 -10.964 -20.396 -24.731 1.00 1.00 H new ATOM 0 HA ASP A 31 -12.627 -20.355 -23.400 1.00 23.00 H new ATOM 0 HB2 ASP A 31 -14.104 -20.292 -25.297 1.00 4.00 H new ATOM 0 HB3 ASP A 31 -14.114 -22.041 -25.406 1.00 4.00 H new ATOM 504 N ASN A 32 -12.445 -23.637 -23.537 1.00 22.00 N ATOM 505 CA ASN A 32 -12.321 -24.829 -22.698 1.00 64.00 C ATOM 506 C ASN A 32 -11.350 -25.869 -23.275 1.00 4.00 C ATOM 507 O ASN A 32 -11.457 -27.064 -22.961 1.00 50.00 O ATOM 508 CB ASN A 32 -13.697 -25.475 -22.416 1.00 65.00 C ATOM 509 CG ASN A 32 -14.457 -24.836 -21.250 1.00 24.00 C ATOM 510 OD1 ASN A 32 -14.294 -25.247 -20.087 1.00 24.00 O ATOM 511 ND2 ASN A 32 -15.291 -23.859 -21.522 1.00 21.00 N ATOM 0 H ASN A 32 -12.448 -23.829 -24.539 1.00 22.00 H new ATOM 0 HA ASN A 32 -11.900 -24.484 -21.754 1.00 64.00 H new ATOM 0 HB2 ASN A 32 -14.309 -25.409 -23.315 1.00 65.00 H new ATOM 0 HB3 ASN A 32 -13.553 -26.535 -22.206 1.00 65.00 H new ATOM 0 HD21 ASN A 32 -15.823 -23.419 -20.771 1.00 21.00 H new ATOM 0 HD22 ASN A 32 -15.407 -23.540 -22.484 1.00 21.00 H new ATOM 518 N GLN A 33 -10.371 -25.427 -24.061 1.00 74.00 N ATOM 519 CA GLN A 33 -9.371 -26.313 -24.621 1.00 55.00 C ATOM 520 C GLN A 33 -8.169 -25.471 -24.903 1.00 12.00 C ATOM 521 O GLN A 33 -8.301 -24.269 -25.036 1.00 72.00 O ATOM 522 CB GLN A 33 -9.867 -27.034 -25.885 1.00 20.00 C ATOM 523 CG GLN A 33 -10.070 -26.145 -27.078 1.00 45.00 C ATOM 524 CD GLN A 33 -10.608 -26.902 -28.273 1.00 53.00 C ATOM 525 OE1 GLN A 33 -11.828 -27.001 -28.462 1.00 33.00 O ATOM 526 NE2 GLN A 33 -9.731 -27.464 -29.069 1.00 11.00 N ATOM 0 H GLN A 33 -10.255 -24.448 -24.323 1.00 74.00 H new ATOM 0 HA GLN A 33 -9.135 -27.110 -23.916 1.00 55.00 H new ATOM 0 HB2 GLN A 33 -9.150 -27.812 -26.147 1.00 20.00 H new ATOM 0 HB3 GLN A 33 -10.809 -27.532 -25.656 1.00 20.00 H new ATOM 0 HG2 GLN A 33 -10.761 -25.343 -26.818 1.00 45.00 H new ATOM 0 HG3 GLN A 33 -9.123 -25.676 -27.344 1.00 45.00 H new ATOM 0 HE21 GLN A 33 -8.733 -27.361 -28.882 1.00 11.00 H new ATOM 0 HE22 GLN A 33 -10.046 -28.004 -29.875 1.00 11.00 H new ATOM 535 N LEU A 34 -7.034 -26.051 -24.965 1.00 13.00 N ATOM 536 CA LEU A 34 -5.821 -25.291 -25.110 1.00 21.00 C ATOM 537 C LEU A 34 -5.143 -25.582 -26.429 1.00 65.00 C ATOM 538 O LEU A 34 -5.009 -26.741 -26.826 1.00 61.00 O ATOM 539 CB LEU A 34 -4.829 -25.614 -23.969 1.00 25.00 C ATOM 540 CG LEU A 34 -5.054 -25.005 -22.561 1.00 31.00 C ATOM 541 CD1 LEU A 34 -4.921 -23.504 -22.584 1.00 62.00 C ATOM 542 CD2 LEU A 34 -6.380 -25.431 -21.940 1.00 65.00 C ATOM 0 H LEU A 34 -6.902 -27.061 -24.918 1.00 13.00 H new ATOM 0 HA LEU A 34 -6.101 -24.238 -25.072 1.00 21.00 H new ATOM 0 HB2 LEU A 34 -4.805 -26.698 -23.855 1.00 25.00 H new ATOM 0 HB3 LEU A 34 -3.838 -25.307 -24.302 1.00 25.00 H new ATOM 0 HG LEU A 34 -4.267 -25.406 -21.922 1.00 31.00 H new ATOM 0 HD11 LEU A 34 -5.085 -23.109 -21.581 1.00 62.00 H new ATOM 0 HD12 LEU A 34 -3.921 -23.232 -22.922 1.00 62.00 H new ATOM 0 HD13 LEU A 34 -5.661 -23.084 -23.265 1.00 62.00 H new ATOM 0 HD21 LEU A 34 -6.484 -24.975 -20.955 1.00 65.00 H new ATOM 0 HD22 LEU A 34 -7.202 -25.107 -22.579 1.00 65.00 H new ATOM 0 HD23 LEU A 34 -6.404 -26.516 -21.841 1.00 65.00 H new ATOM 554 N LEU A 35 -4.745 -24.545 -27.106 1.00 22.00 N ATOM 555 CA LEU A 35 -3.931 -24.667 -28.289 1.00 45.00 C ATOM 556 C LEU A 35 -2.920 -23.558 -28.317 1.00 74.00 C ATOM 557 O LEU A 35 -2.973 -22.655 -27.478 1.00 30.00 O ATOM 558 CB LEU A 35 -4.742 -24.803 -29.620 1.00 53.00 C ATOM 559 CG LEU A 35 -5.682 -23.669 -30.128 1.00 2.00 C ATOM 560 CD1 LEU A 35 -6.794 -23.345 -29.168 1.00 73.00 C ATOM 561 CD2 LEU A 35 -4.938 -22.410 -30.564 1.00 33.00 C ATOM 0 H LEU A 35 -4.975 -23.583 -26.855 1.00 22.00 H new ATOM 0 HA LEU A 35 -3.402 -25.618 -28.226 1.00 45.00 H new ATOM 0 HB2 LEU A 35 -4.018 -24.991 -30.413 1.00 53.00 H new ATOM 0 HB3 LEU A 35 -5.353 -25.701 -29.527 1.00 53.00 H new ATOM 0 HG LEU A 35 -6.146 -24.082 -31.024 1.00 2.00 H new ATOM 0 HD11 LEU A 35 -7.411 -22.548 -29.582 1.00 73.00 H new ATOM 0 HD12 LEU A 35 -7.406 -24.232 -29.008 1.00 73.00 H new ATOM 0 HD13 LEU A 35 -6.371 -23.020 -28.218 1.00 73.00 H new ATOM 0 HD21 LEU A 35 -5.655 -21.663 -30.905 1.00 33.00 H new ATOM 0 HD22 LEU A 35 -4.373 -22.011 -29.722 1.00 33.00 H new ATOM 0 HD23 LEU A 35 -4.254 -22.655 -31.377 1.00 33.00 H new ATOM 573 N HIS A 36 -2.021 -23.604 -29.247 1.00 22.00 N ATOM 574 CA HIS A 36 -0.975 -22.621 -29.306 1.00 72.00 C ATOM 575 C HIS A 36 -0.962 -21.829 -30.586 1.00 73.00 C ATOM 576 O HIS A 36 -1.148 -22.363 -31.686 1.00 0.00 O ATOM 577 CB HIS A 36 0.426 -23.182 -28.938 1.00 43.00 C ATOM 578 CG HIS A 36 0.869 -24.422 -29.672 1.00 11.00 C ATOM 579 ND1 HIS A 36 1.082 -25.600 -28.997 1.00 60.00 N ATOM 580 CD2 HIS A 36 1.165 -24.608 -30.979 1.00 14.00 C ATOM 581 CE1 HIS A 36 1.500 -26.471 -29.906 1.00 54.00 C ATOM 582 NE2 HIS A 36 1.564 -25.915 -31.113 1.00 71.00 N ATOM 0 H HIS A 36 -1.986 -24.312 -29.980 1.00 22.00 H new ATOM 0 HA HIS A 36 -1.225 -21.908 -28.520 1.00 72.00 H new ATOM 0 HB2 HIS A 36 1.164 -22.399 -29.115 1.00 43.00 H new ATOM 0 HB3 HIS A 36 0.438 -23.396 -27.869 1.00 43.00 H new ATOM 0 HD2 HIS A 36 1.100 -23.871 -31.765 1.00 14.00 H new ATOM 0 HE1 HIS A 36 1.755 -27.499 -29.694 1.00 54.00 H new ATOM 0 HE2 HIS A 36 1.855 -26.374 -31.976 1.00 71.00 H new ATOM 590 N LEU A 37 -0.765 -20.558 -30.415 1.00 34.00 N ATOM 591 CA LEU A 37 -0.679 -19.599 -31.477 1.00 3.00 C ATOM 592 C LEU A 37 0.681 -19.002 -31.421 1.00 22.00 C ATOM 593 O LEU A 37 1.401 -19.176 -30.428 1.00 72.00 O ATOM 594 CB LEU A 37 -1.711 -18.470 -31.321 1.00 42.00 C ATOM 595 CG LEU A 37 -3.152 -18.909 -31.130 1.00 2.00 C ATOM 596 CD1 LEU A 37 -3.473 -19.167 -29.658 1.00 43.00 C ATOM 597 CD2 LEU A 37 -4.101 -17.925 -31.744 1.00 33.00 C ATOM 0 H LEU A 37 -0.655 -20.141 -29.491 1.00 34.00 H new ATOM 0 HA LEU A 37 -0.877 -20.101 -32.424 1.00 3.00 H new ATOM 0 HB2 LEU A 37 -1.423 -17.856 -30.468 1.00 42.00 H new ATOM 0 HB3 LEU A 37 -1.660 -17.833 -32.204 1.00 42.00 H new ATOM 0 HG LEU A 37 -3.281 -19.857 -31.652 1.00 2.00 H new ATOM 0 HD11 LEU A 37 -4.513 -19.479 -29.562 1.00 43.00 H new ATOM 0 HD12 LEU A 37 -2.821 -19.953 -29.276 1.00 43.00 H new ATOM 0 HD13 LEU A 37 -3.314 -18.253 -29.085 1.00 43.00 H new ATOM 0 HD21 LEU A 37 -5.126 -18.264 -31.592 1.00 33.00 H new ATOM 0 HD22 LEU A 37 -3.968 -16.950 -31.275 1.00 33.00 H new ATOM 0 HD23 LEU A 37 -3.900 -17.844 -32.812 1.00 33.00 H new ATOM 609 N LYS A 38 1.039 -18.291 -32.425 1.00 2.00 N ATOM 610 CA LYS A 38 2.333 -17.704 -32.476 1.00 43.00 C ATOM 611 C LYS A 38 2.270 -16.456 -33.267 1.00 20.00 C ATOM 612 O LYS A 38 1.316 -16.251 -34.042 1.00 33.00 O ATOM 613 CB LYS A 38 3.343 -18.663 -33.112 1.00 32.00 C ATOM 614 CG LYS A 38 3.302 -18.786 -34.643 1.00 21.00 C ATOM 615 CD LYS A 38 1.978 -19.305 -35.151 1.00 31.00 C ATOM 616 CE LYS A 38 1.991 -19.559 -36.647 1.00 14.00 C ATOM 617 NZ LYS A 38 0.662 -19.976 -37.143 1.00 71.00 N ATOM 0 H LYS A 38 0.449 -18.098 -33.234 1.00 2.00 H new ATOM 0 HA LYS A 38 2.659 -17.487 -31.459 1.00 43.00 H new ATOM 0 HB2 LYS A 38 4.344 -18.345 -32.822 1.00 32.00 H new ATOM 0 HB3 LYS A 38 3.187 -19.654 -32.686 1.00 32.00 H new ATOM 0 HG2 LYS A 38 3.500 -17.810 -35.087 1.00 21.00 H new ATOM 0 HG3 LYS A 38 4.099 -19.453 -34.971 1.00 21.00 H new ATOM 0 HD2 LYS A 38 1.730 -20.230 -34.630 1.00 31.00 H new ATOM 0 HD3 LYS A 38 1.194 -18.586 -34.914 1.00 31.00 H new ATOM 0 HE2 LYS A 38 2.306 -18.654 -37.167 1.00 14.00 H new ATOM 0 HE3 LYS A 38 2.725 -20.331 -36.879 1.00 14.00 H new ATOM 0 HZ1 LYS A 38 0.714 -20.157 -38.166 1.00 71.00 H new ATOM 0 HZ2 LYS A 38 0.365 -20.844 -36.653 1.00 71.00 H new ATOM 0 HZ3 LYS A 38 -0.029 -19.221 -36.960 1.00 71.00 H new ATOM 631 N GLN A 39 3.230 -15.637 -33.083 1.00 11.00 N ATOM 632 CA GLN A 39 3.327 -14.439 -33.868 1.00 50.00 C ATOM 633 C GLN A 39 3.932 -14.728 -35.218 1.00 21.00 C ATOM 634 O GLN A 39 5.148 -14.792 -35.389 1.00 21.00 O ATOM 635 CB GLN A 39 4.045 -13.320 -33.158 1.00 43.00 C ATOM 636 CG GLN A 39 4.151 -12.053 -33.994 1.00 72.00 C ATOM 637 CD GLN A 39 4.632 -10.866 -33.212 1.00 41.00 C ATOM 638 OE1 GLN A 39 3.829 -10.130 -32.654 1.00 75.00 O ATOM 639 NE2 GLN A 39 5.914 -10.655 -33.173 1.00 63.00 N ATOM 0 H GLN A 39 3.972 -15.762 -32.395 1.00 11.00 H new ATOM 0 HA GLN A 39 2.309 -14.082 -34.022 1.00 50.00 H new ATOM 0 HB2 GLN A 39 3.522 -13.092 -32.229 1.00 43.00 H new ATOM 0 HB3 GLN A 39 5.046 -13.654 -32.886 1.00 43.00 H new ATOM 0 HG2 GLN A 39 4.831 -12.231 -34.827 1.00 72.00 H new ATOM 0 HG3 GLN A 39 3.175 -11.826 -34.423 1.00 72.00 H new ATOM 0 HE21 GLN A 39 6.551 -11.292 -33.651 1.00 63.00 H new ATOM 0 HE22 GLN A 39 6.283 -9.852 -32.664 1.00 63.00 H new ATOM 648 N GLY A 40 3.066 -14.963 -36.140 1.00 74.00 N ATOM 649 CA GLY A 40 3.459 -15.243 -37.498 1.00 15.00 C ATOM 650 C GLY A 40 3.350 -14.009 -38.346 1.00 71.00 C ATOM 651 O GLY A 40 4.208 -13.732 -39.181 1.00 52.00 O ATOM 0 H GLY A 40 2.058 -14.969 -35.985 1.00 74.00 H new ATOM 0 HA2 GLY A 40 4.484 -15.614 -37.516 1.00 15.00 H new ATOM 0 HA3 GLY A 40 2.828 -16.030 -37.910 1.00 15.00 H new ATOM 655 N ILE A 41 2.288 -13.280 -38.126 1.00 72.00 N ATOM 656 CA ILE A 41 2.022 -12.030 -38.787 1.00 71.00 C ATOM 657 C ILE A 41 1.681 -11.057 -37.684 1.00 12.00 C ATOM 658 O ILE A 41 1.035 -11.445 -36.720 1.00 71.00 O ATOM 659 CB ILE A 41 0.799 -12.140 -39.764 1.00 31.00 C ATOM 660 CG1 ILE A 41 1.044 -13.193 -40.874 1.00 24.00 C ATOM 661 CG2 ILE A 41 0.456 -10.782 -40.378 1.00 44.00 C ATOM 662 CD1 ILE A 41 2.209 -12.883 -41.805 1.00 20.00 C ATOM 0 H ILE A 41 1.562 -13.548 -37.461 1.00 72.00 H new ATOM 0 HA ILE A 41 2.882 -11.721 -39.382 1.00 71.00 H new ATOM 0 HB ILE A 41 -0.054 -12.473 -39.172 1.00 31.00 H new ATOM 0 HG12 ILE A 41 1.221 -14.161 -40.404 1.00 24.00 H new ATOM 0 HG13 ILE A 41 0.137 -13.289 -41.470 1.00 24.00 H new ATOM 0 HG21 ILE A 41 -0.395 -10.891 -41.050 1.00 44.00 H new ATOM 0 HG22 ILE A 41 0.205 -10.077 -39.585 1.00 44.00 H new ATOM 0 HG23 ILE A 41 1.314 -10.408 -40.937 1.00 44.00 H new ATOM 0 HD11 ILE A 41 2.302 -13.675 -42.548 1.00 20.00 H new ATOM 0 HD12 ILE A 41 2.030 -11.933 -42.309 1.00 20.00 H new ATOM 0 HD13 ILE A 41 3.130 -12.818 -41.226 1.00 20.00 H new ATOM 674 N SER A 42 2.127 -9.843 -37.776 1.00 75.00 N ATOM 675 CA SER A 42 1.836 -8.889 -36.757 1.00 34.00 C ATOM 676 C SER A 42 1.373 -7.564 -37.345 1.00 63.00 C ATOM 677 O SER A 42 1.159 -7.455 -38.559 1.00 11.00 O ATOM 678 CB SER A 42 3.035 -8.741 -35.817 1.00 12.00 C ATOM 679 OG SER A 42 4.220 -8.497 -36.534 1.00 22.00 O ATOM 0 H SER A 42 2.694 -9.491 -38.547 1.00 75.00 H new ATOM 0 HA SER A 42 1.000 -9.254 -36.161 1.00 34.00 H new ATOM 0 HB2 SER A 42 2.854 -7.923 -35.120 1.00 12.00 H new ATOM 0 HB3 SER A 42 3.147 -9.647 -35.222 1.00 12.00 H new ATOM 0 HG SER A 42 4.968 -8.405 -35.908 1.00 22.00 H new ATOM 685 N ALA A 43 1.210 -6.588 -36.481 1.00 74.00 N ATOM 686 CA ALA A 43 0.723 -5.289 -36.784 1.00 33.00 C ATOM 687 C ALA A 43 0.932 -4.494 -35.516 1.00 12.00 C ATOM 688 O ALA A 43 1.833 -4.851 -34.740 1.00 31.00 O ATOM 689 CB ALA A 43 -0.753 -5.342 -37.178 1.00 34.00 C ATOM 0 H ALA A 43 1.431 -6.701 -35.492 1.00 74.00 H new ATOM 0 HA ALA A 43 1.239 -4.838 -37.631 1.00 33.00 H new ATOM 0 HB1 ALA A 43 -1.105 -4.336 -37.406 1.00 34.00 H new ATOM 0 HB2 ALA A 43 -0.873 -5.976 -38.057 1.00 34.00 H new ATOM 0 HB3 ALA A 43 -1.335 -5.752 -36.353 1.00 34.00 H new ATOM 695 N SER A 44 0.147 -3.461 -35.297 1.00 43.00 N ATOM 696 CA SER A 44 0.221 -2.661 -34.088 1.00 43.00 C ATOM 697 C SER A 44 -0.114 -3.542 -32.863 1.00 33.00 C ATOM 698 O SER A 44 -1.279 -3.785 -32.556 1.00 24.00 O ATOM 699 CB SER A 44 -0.773 -1.512 -34.214 1.00 34.00 C ATOM 700 OG SER A 44 -0.643 -0.886 -35.494 1.00 1.00 O ATOM 0 H SER A 44 -0.566 -3.149 -35.956 1.00 43.00 H new ATOM 0 HA SER A 44 1.226 -2.260 -33.954 1.00 43.00 H new ATOM 0 HB2 SER A 44 -1.789 -1.884 -34.084 1.00 34.00 H new ATOM 0 HB3 SER A 44 -0.598 -0.782 -33.424 1.00 34.00 H new ATOM 0 HG SER A 44 -1.287 -0.151 -35.565 1.00 1.00 H new ATOM 706 N GLY A 45 0.901 -4.057 -32.224 1.00 25.00 N ATOM 707 CA GLY A 45 0.725 -4.977 -31.148 1.00 52.00 C ATOM 708 C GLY A 45 1.575 -6.190 -31.362 1.00 12.00 C ATOM 709 O GLY A 45 2.779 -6.087 -31.636 1.00 54.00 O ATOM 0 H GLY A 45 1.875 -3.846 -32.441 1.00 25.00 H new ATOM 0 HA2 GLY A 45 0.990 -4.500 -30.205 1.00 52.00 H new ATOM 0 HA3 GLY A 45 -0.323 -5.267 -31.075 1.00 52.00 H new ATOM 713 N ALA A 46 0.949 -7.320 -31.298 1.00 63.00 N ATOM 714 CA ALA A 46 1.544 -8.570 -31.427 1.00 22.00 C ATOM 715 C ALA A 46 0.429 -9.448 -31.810 1.00 23.00 C ATOM 716 O ALA A 46 -0.659 -9.339 -31.235 1.00 0.00 O ATOM 717 CB ALA A 46 2.120 -8.996 -30.094 1.00 20.00 C ATOM 0 H ALA A 46 -0.058 -7.376 -31.143 1.00 63.00 H new ATOM 0 HA ALA A 46 2.360 -8.590 -32.149 1.00 22.00 H new ATOM 0 HB1 ALA A 46 2.586 -9.976 -30.196 1.00 20.00 H new ATOM 0 HB2 ALA A 46 2.867 -8.270 -29.772 1.00 20.00 H new ATOM 0 HB3 ALA A 46 1.322 -9.049 -29.353 1.00 20.00 H new ATOM 723 N ARG A 47 0.606 -10.246 -32.792 1.00 64.00 N ATOM 724 CA ARG A 47 -0.468 -11.064 -33.189 1.00 43.00 C ATOM 725 C ARG A 47 -0.086 -12.507 -33.155 1.00 2.00 C ATOM 726 O ARG A 47 0.778 -12.941 -33.899 1.00 73.00 O ATOM 727 CB ARG A 47 -0.998 -10.736 -34.564 1.00 71.00 C ATOM 728 CG ARG A 47 -1.721 -9.421 -34.711 1.00 0.00 C ATOM 729 CD ARG A 47 -2.292 -9.331 -36.110 1.00 74.00 C ATOM 730 NE ARG A 47 -3.102 -10.527 -36.412 1.00 44.00 N ATOM 731 CZ ARG A 47 -3.554 -10.889 -37.620 1.00 62.00 C ATOM 732 NH1 ARG A 47 -3.475 -10.054 -38.655 1.00 44.00 N ATOM 733 NH2 ARG A 47 -4.109 -12.084 -37.775 1.00 63.00 N ATOM 0 H ARG A 47 1.468 -10.349 -33.327 1.00 64.00 H new ATOM 0 HA ARG A 47 -1.262 -10.865 -32.469 1.00 43.00 H new ATOM 0 HB2 ARG A 47 -0.162 -10.745 -35.263 1.00 71.00 H new ATOM 0 HB3 ARG A 47 -1.676 -11.534 -34.867 1.00 71.00 H new ATOM 0 HG2 ARG A 47 -2.519 -9.345 -33.972 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.037 -8.592 -34.529 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.906 -8.435 -36.202 1.00 74.00 H new ATOM 0 HD3 ARG A 47 -1.483 -9.239 -36.835 1.00 74.00 H new ATOM 0 HE ARG A 47 -3.340 -11.135 -35.628 1.00 44.00 H new ATOM 0 HH11 ARG A 47 -3.067 -9.127 -38.533 1.00 44.00 H new ATOM 0 HH12 ARG A 47 -3.823 -10.341 -39.570 1.00 44.00 H new ATOM 0 HH21 ARG A 47 -4.188 -12.717 -36.979 1.00 63.00 H new ATOM 0 HH22 ARG A 47 -4.457 -12.370 -38.690 1.00 63.00 H new ATOM 747 N TYR A 48 -0.720 -13.230 -32.318 1.00 3.00 N ATOM 748 CA TYR A 48 -0.528 -14.624 -32.209 1.00 72.00 C ATOM 749 C TYR A 48 -1.709 -15.231 -32.884 1.00 44.00 C ATOM 750 O TYR A 48 -2.844 -14.978 -32.507 1.00 72.00 O ATOM 751 CB TYR A 48 -0.475 -15.000 -30.743 1.00 62.00 C ATOM 752 CG TYR A 48 0.552 -14.199 -29.954 1.00 25.00 C ATOM 753 CD1 TYR A 48 1.892 -14.552 -29.957 1.00 70.00 C ATOM 754 CD2 TYR A 48 0.175 -13.077 -29.223 1.00 3.00 C ATOM 755 CE1 TYR A 48 2.825 -13.815 -29.252 1.00 22.00 C ATOM 756 CE2 TYR A 48 1.102 -12.336 -28.522 1.00 4.00 C ATOM 757 CZ TYR A 48 2.425 -12.710 -28.539 1.00 51.00 C ATOM 758 OH TYR A 48 3.356 -11.964 -27.844 1.00 13.00 O ATOM 0 H TYR A 48 -1.411 -12.857 -31.667 1.00 3.00 H new ATOM 0 HA TYR A 48 0.401 -14.969 -32.664 1.00 72.00 H new ATOM 0 HB2 TYR A 48 -1.460 -14.851 -30.301 1.00 62.00 H new ATOM 0 HB3 TYR A 48 -0.244 -16.062 -30.655 1.00 62.00 H new ATOM 0 HD1 TYR A 48 2.212 -15.417 -30.519 1.00 70.00 H new ATOM 0 HD2 TYR A 48 -0.863 -12.781 -29.204 1.00 3.00 H new ATOM 0 HE1 TYR A 48 3.865 -14.106 -29.261 1.00 22.00 H new ATOM 0 HE2 TYR A 48 0.791 -11.466 -27.962 1.00 4.00 H new ATOM 0 HH TYR A 48 2.908 -11.217 -27.395 1.00 13.00 H new ATOM 768 N THR A 49 -1.488 -15.955 -33.914 1.00 21.00 N ATOM 769 CA THR A 49 -2.595 -16.457 -34.680 1.00 2.00 C ATOM 770 C THR A 49 -2.209 -17.767 -35.305 1.00 25.00 C ATOM 771 O THR A 49 -1.071 -17.936 -35.742 1.00 42.00 O ATOM 772 CB THR A 49 -3.046 -15.422 -35.770 1.00 14.00 C ATOM 773 OG1 THR A 49 -3.415 -14.169 -35.148 1.00 23.00 O ATOM 774 CG2 THR A 49 -4.222 -15.936 -36.598 1.00 11.00 C ATOM 0 H THR A 49 -0.564 -16.220 -34.256 1.00 21.00 H new ATOM 0 HA THR A 49 -3.445 -16.614 -34.016 1.00 2.00 H new ATOM 0 HB THR A 49 -2.199 -15.273 -36.439 1.00 14.00 H new ATOM 0 HG1 THR A 49 -2.841 -13.452 -35.490 1.00 23.00 H new ATOM 0 HG21 THR A 49 -4.500 -15.187 -37.339 1.00 11.00 H new ATOM 0 HG22 THR A 49 -3.936 -16.858 -37.104 1.00 11.00 H new ATOM 0 HG23 THR A 49 -5.071 -16.130 -35.943 1.00 11.00 H new ATOM 782 N ASP A 50 -3.095 -18.724 -35.255 1.00 41.00 N ATOM 783 CA ASP A 50 -2.810 -19.988 -35.888 1.00 25.00 C ATOM 784 C ASP A 50 -3.973 -20.426 -36.775 1.00 64.00 C ATOM 785 O ASP A 50 -3.970 -21.502 -37.333 1.00 12.00 O ATOM 786 CB ASP A 50 -2.474 -21.050 -34.847 1.00 71.00 C ATOM 787 CG ASP A 50 -1.728 -22.220 -35.441 1.00 53.00 C ATOM 788 OD1 ASP A 50 -0.551 -22.030 -35.833 1.00 14.00 O ATOM 789 OD2 ASP A 50 -2.255 -23.340 -35.463 1.00 63.00 O ATOM 0 H ASP A 50 -4.002 -18.659 -34.794 1.00 41.00 H new ATOM 0 HA ASP A 50 -1.936 -19.862 -36.527 1.00 25.00 H new ATOM 0 HB2 ASP A 50 -1.872 -20.602 -34.056 1.00 71.00 H new ATOM 0 HB3 ASP A 50 -3.395 -21.406 -34.385 1.00 71.00 H new ATOM 794 N GLY A 51 -4.969 -19.569 -36.908 1.00 64.00 N ATOM 795 CA GLY A 51 -6.083 -19.890 -37.779 1.00 40.00 C ATOM 796 C GLY A 51 -7.374 -20.137 -37.036 1.00 41.00 C ATOM 797 O GLY A 51 -8.449 -19.883 -37.568 1.00 51.00 O ATOM 0 H GLY A 51 -5.030 -18.667 -36.436 1.00 64.00 H new ATOM 0 HA2 GLY A 51 -6.230 -19.073 -38.485 1.00 40.00 H new ATOM 0 HA3 GLY A 51 -5.834 -20.776 -38.364 1.00 40.00 H new ATOM 801 N ILE A 52 -7.275 -20.620 -35.806 1.00 75.00 N ATOM 802 CA ILE A 52 -8.461 -20.926 -34.984 1.00 13.00 C ATOM 803 C ILE A 52 -9.123 -19.614 -34.585 1.00 62.00 C ATOM 804 O ILE A 52 -10.345 -19.480 -34.568 1.00 20.00 O ATOM 805 CB ILE A 52 -8.122 -21.752 -33.676 1.00 5.00 C ATOM 806 CG1 ILE A 52 -7.428 -23.110 -33.963 1.00 51.00 C ATOM 807 CG2 ILE A 52 -9.381 -22.004 -32.850 1.00 1.00 C ATOM 808 CD1 ILE A 52 -5.967 -23.033 -34.364 1.00 1.00 C ATOM 0 H ILE A 52 -6.386 -20.813 -35.344 1.00 75.00 H new ATOM 0 HA ILE A 52 -9.123 -21.548 -35.587 1.00 13.00 H new ATOM 0 HB ILE A 52 -7.418 -21.135 -33.117 1.00 5.00 H new ATOM 0 HG12 ILE A 52 -7.508 -23.733 -33.072 1.00 51.00 H new ATOM 0 HG13 ILE A 52 -7.977 -23.616 -34.757 1.00 51.00 H new ATOM 0 HG21 ILE A 52 -9.122 -22.573 -31.957 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.821 -21.051 -32.558 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -10.099 -22.569 -33.445 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -5.585 -24.038 -34.540 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -5.871 -22.443 -35.276 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -5.395 -22.562 -33.565 1.00 1.00 H new ATOM 820 N TYR A 53 -8.283 -18.663 -34.272 1.00 3.00 N ATOM 821 CA TYR A 53 -8.650 -17.321 -33.940 1.00 74.00 C ATOM 822 C TYR A 53 -7.450 -16.448 -34.049 1.00 21.00 C ATOM 823 O TYR A 53 -6.312 -16.950 -34.159 1.00 44.00 O ATOM 824 CB TYR A 53 -9.305 -17.186 -32.551 1.00 31.00 C ATOM 825 CG TYR A 53 -8.638 -17.951 -31.429 1.00 3.00 C ATOM 826 CD1 TYR A 53 -7.427 -17.562 -30.902 1.00 24.00 C ATOM 827 CD2 TYR A 53 -9.243 -19.067 -30.897 1.00 40.00 C ATOM 828 CE1 TYR A 53 -6.841 -18.265 -29.882 1.00 53.00 C ATOM 829 CE2 TYR A 53 -8.662 -19.772 -29.878 1.00 22.00 C ATOM 830 CZ TYR A 53 -7.463 -19.370 -29.373 1.00 14.00 C ATOM 831 OH TYR A 53 -6.881 -20.073 -28.347 1.00 31.00 O ATOM 0 H TYR A 53 -7.275 -18.816 -34.242 1.00 3.00 H new ATOM 0 HA TYR A 53 -9.413 -17.006 -34.652 1.00 74.00 H new ATOM 0 HB2 TYR A 53 -9.327 -16.130 -32.282 1.00 31.00 H new ATOM 0 HB3 TYR A 53 -10.341 -17.517 -32.625 1.00 31.00 H new ATOM 0 HD1 TYR A 53 -6.931 -16.689 -31.299 1.00 24.00 H new ATOM 0 HD2 TYR A 53 -10.194 -19.393 -31.291 1.00 40.00 H new ATOM 0 HE1 TYR A 53 -5.890 -17.946 -29.481 1.00 53.00 H new ATOM 0 HE2 TYR A 53 -9.153 -20.645 -29.475 1.00 22.00 H new ATOM 0 HH TYR A 53 -6.668 -19.462 -27.611 1.00 31.00 H new ATOM 841 N VAL A 54 -7.695 -15.192 -34.058 1.00 1.00 N ATOM 842 CA VAL A 54 -6.694 -14.181 -34.132 1.00 25.00 C ATOM 843 C VAL A 54 -6.528 -13.596 -32.746 1.00 22.00 C ATOM 844 O VAL A 54 -7.442 -12.955 -32.238 1.00 21.00 O ATOM 845 CB VAL A 54 -7.180 -13.074 -35.087 1.00 54.00 C ATOM 846 CG1 VAL A 54 -6.245 -11.865 -35.082 1.00 13.00 C ATOM 847 CG2 VAL A 54 -7.341 -13.614 -36.505 1.00 11.00 C ATOM 0 H VAL A 54 -8.642 -14.816 -34.012 1.00 1.00 H new ATOM 0 HA VAL A 54 -5.751 -14.591 -34.493 1.00 25.00 H new ATOM 0 HB VAL A 54 -8.153 -12.741 -34.725 1.00 54.00 H new ATOM 0 HG11 VAL A 54 -6.625 -11.109 -35.769 1.00 13.00 H new ATOM 0 HG12 VAL A 54 -6.194 -11.449 -34.076 1.00 13.00 H new ATOM 0 HG13 VAL A 54 -5.249 -12.174 -35.398 1.00 13.00 H new ATOM 0 HG21 VAL A 54 -7.685 -12.815 -37.162 1.00 11.00 H new ATOM 0 HG22 VAL A 54 -6.382 -13.990 -36.862 1.00 11.00 H new ATOM 0 HG23 VAL A 54 -8.071 -14.423 -36.505 1.00 11.00 H new ATOM 857 N PHE A 55 -5.417 -13.853 -32.127 1.00 61.00 N ATOM 858 CA PHE A 55 -5.158 -13.326 -30.811 1.00 43.00 C ATOM 859 C PHE A 55 -4.251 -12.124 -30.941 1.00 74.00 C ATOM 860 O PHE A 55 -3.086 -12.237 -31.335 1.00 21.00 O ATOM 861 CB PHE A 55 -4.570 -14.415 -29.894 1.00 13.00 C ATOM 862 CG PHE A 55 -4.201 -13.963 -28.503 1.00 32.00 C ATOM 863 CD1 PHE A 55 -5.067 -13.202 -27.740 1.00 31.00 C ATOM 864 CD2 PHE A 55 -2.980 -14.305 -27.967 1.00 51.00 C ATOM 865 CE1 PHE A 55 -4.720 -12.800 -26.475 1.00 54.00 C ATOM 866 CE2 PHE A 55 -2.625 -13.908 -26.701 1.00 13.00 C ATOM 867 CZ PHE A 55 -3.496 -13.156 -25.954 1.00 25.00 C ATOM 0 H PHE A 55 -4.667 -14.428 -32.510 1.00 61.00 H new ATOM 0 HA PHE A 55 -6.088 -13.004 -30.343 1.00 43.00 H new ATOM 0 HB2 PHE A 55 -5.293 -15.227 -29.814 1.00 13.00 H new ATOM 0 HB3 PHE A 55 -3.681 -14.826 -30.371 1.00 13.00 H new ATOM 0 HD1 PHE A 55 -6.028 -12.921 -28.145 1.00 31.00 H new ATOM 0 HD2 PHE A 55 -2.290 -14.895 -28.552 1.00 51.00 H new ATOM 0 HE1 PHE A 55 -5.405 -12.206 -25.889 1.00 54.00 H new ATOM 0 HE2 PHE A 55 -1.664 -14.187 -26.295 1.00 13.00 H new ATOM 0 HZ PHE A 55 -3.222 -12.843 -24.957 1.00 25.00 H new ATOM 877 N TRP A 56 -4.786 -10.986 -30.644 1.00 32.00 N ATOM 878 CA TRP A 56 -4.111 -9.781 -30.803 1.00 61.00 C ATOM 879 C TRP A 56 -3.788 -9.265 -29.434 1.00 14.00 C ATOM 880 O TRP A 56 -4.665 -9.101 -28.572 1.00 43.00 O ATOM 881 CB TRP A 56 -4.999 -8.785 -31.539 1.00 24.00 C ATOM 882 CG TRP A 56 -4.267 -7.638 -32.168 1.00 22.00 C ATOM 883 CD1 TRP A 56 -3.350 -6.821 -31.584 1.00 4.00 C ATOM 884 CD2 TRP A 56 -4.427 -7.165 -33.508 1.00 2.00 C ATOM 885 NE1 TRP A 56 -2.903 -5.903 -32.480 1.00 20.00 N ATOM 886 CE2 TRP A 56 -3.559 -6.079 -33.668 1.00 21.00 C ATOM 887 CE3 TRP A 56 -5.219 -7.563 -34.591 1.00 23.00 C ATOM 888 CZ2 TRP A 56 -3.453 -5.379 -34.865 1.00 2.00 C ATOM 889 CZ3 TRP A 56 -5.117 -6.865 -35.780 1.00 63.00 C ATOM 890 CH2 TRP A 56 -4.242 -5.785 -35.908 1.00 50.00 C ATOM 0 H TRP A 56 -5.732 -10.887 -30.275 1.00 32.00 H new ATOM 0 HA TRP A 56 -3.200 -9.921 -31.385 1.00 61.00 H new ATOM 0 HB2 TRP A 56 -5.551 -9.315 -32.315 1.00 24.00 H new ATOM 0 HB3 TRP A 56 -5.735 -8.389 -30.839 1.00 24.00 H new ATOM 0 HD1 TRP A 56 -3.024 -6.892 -30.557 1.00 4.00 H new ATOM 0 HE1 TRP A 56 -2.192 -5.195 -32.297 1.00 20.00 H new ATOM 0 HE3 TRP A 56 -5.897 -8.399 -34.500 1.00 23.00 H new ATOM 0 HZ2 TRP A 56 -2.773 -4.546 -34.968 1.00 2.00 H new ATOM 0 HZ3 TRP A 56 -5.724 -7.160 -36.623 1.00 63.00 H new ATOM 0 HH2 TRP A 56 -4.186 -5.259 -36.849 1.00 50.00 H new ATOM 901 N SER A 57 -2.576 -9.029 -29.251 1.00 63.00 N ATOM 902 CA SER A 57 -2.062 -8.509 -28.049 1.00 34.00 C ATOM 903 C SER A 57 -1.544 -7.158 -28.418 1.00 3.00 C ATOM 904 O SER A 57 -0.498 -7.037 -29.012 1.00 13.00 O ATOM 905 CB SER A 57 -0.932 -9.415 -27.534 1.00 34.00 C ATOM 906 OG SER A 57 -0.428 -8.983 -26.277 1.00 43.00 O ATOM 0 H SER A 57 -1.863 -9.196 -29.961 1.00 63.00 H new ATOM 0 HA SER A 57 -2.805 -8.453 -27.254 1.00 34.00 H new ATOM 0 HB2 SER A 57 -1.300 -10.437 -27.444 1.00 34.00 H new ATOM 0 HB3 SER A 57 -0.121 -9.431 -28.262 1.00 34.00 H new ATOM 0 HG SER A 57 0.287 -9.587 -25.986 1.00 43.00 H new ATOM 912 N LYS A 58 -2.310 -6.147 -28.164 1.00 65.00 N ATOM 913 CA LYS A 58 -1.926 -4.838 -28.587 1.00 44.00 C ATOM 914 C LYS A 58 -0.950 -4.217 -27.597 1.00 45.00 C ATOM 915 O LYS A 58 -0.259 -3.239 -27.900 1.00 31.00 O ATOM 916 CB LYS A 58 -3.173 -4.010 -28.802 1.00 32.00 C ATOM 917 CG LYS A 58 -2.957 -2.615 -29.316 1.00 63.00 C ATOM 918 CD LYS A 58 -4.289 -1.971 -29.532 1.00 23.00 C ATOM 919 CE LYS A 58 -4.165 -0.500 -29.816 1.00 75.00 C ATOM 920 NZ LYS A 58 -5.479 0.144 -29.919 1.00 41.00 N ATOM 0 H LYS A 58 -3.200 -6.200 -27.669 1.00 65.00 H new ATOM 0 HA LYS A 58 -1.392 -4.884 -29.536 1.00 44.00 H new ATOM 0 HB2 LYS A 58 -3.819 -4.538 -29.503 1.00 32.00 H new ATOM 0 HB3 LYS A 58 -3.712 -3.948 -27.856 1.00 32.00 H new ATOM 0 HG2 LYS A 58 -2.369 -2.037 -28.603 1.00 63.00 H new ATOM 0 HG3 LYS A 58 -2.393 -2.639 -30.249 1.00 63.00 H new ATOM 0 HD2 LYS A 58 -4.797 -2.459 -30.364 1.00 23.00 H new ATOM 0 HD3 LYS A 58 -4.910 -2.118 -28.649 1.00 23.00 H new ATOM 0 HE2 LYS A 58 -3.587 -0.024 -29.024 1.00 75.00 H new ATOM 0 HE3 LYS A 58 -3.614 -0.354 -30.745 1.00 75.00 H new ATOM 0 HZ1 LYS A 58 -5.354 1.158 -30.115 1.00 41.00 H new ATOM 0 HZ2 LYS A 58 -6.021 -0.294 -30.691 1.00 41.00 H new ATOM 0 HZ3 LYS A 58 -5.995 0.026 -29.024 1.00 41.00 H new ATOM 934 N GLY A 59 -0.846 -4.827 -26.447 1.00 51.00 N ATOM 935 CA GLY A 59 0.058 -4.354 -25.450 1.00 2.00 C ATOM 936 C GLY A 59 -0.531 -4.464 -24.094 1.00 23.00 C ATOM 937 O GLY A 59 -0.133 -5.315 -23.304 1.00 23.00 O ATOM 0 H GLY A 59 -1.381 -5.655 -26.183 1.00 51.00 H new ATOM 0 HA2 GLY A 59 0.984 -4.927 -25.494 1.00 2.00 H new ATOM 0 HA3 GLY A 59 0.316 -3.315 -25.654 1.00 2.00 H new ATOM 941 N ASP A 60 -1.521 -3.646 -23.842 1.00 73.00 N ATOM 942 CA ASP A 60 -2.163 -3.597 -22.543 1.00 11.00 C ATOM 943 C ASP A 60 -3.599 -4.042 -22.621 1.00 44.00 C ATOM 944 O ASP A 60 -4.339 -3.970 -21.639 1.00 52.00 O ATOM 945 CB ASP A 60 -2.063 -2.199 -21.939 1.00 42.00 C ATOM 946 CG ASP A 60 -0.735 -1.923 -21.275 1.00 51.00 C ATOM 947 OD1 ASP A 60 0.305 -1.820 -21.964 1.00 63.00 O ATOM 948 OD2 ASP A 60 -0.715 -1.757 -20.038 1.00 63.00 O ATOM 0 H ASP A 60 -1.907 -2.995 -24.526 1.00 73.00 H new ATOM 0 HA ASP A 60 -1.635 -4.292 -21.889 1.00 11.00 H new ATOM 0 HB2 ASP A 60 -2.228 -1.460 -22.723 1.00 42.00 H new ATOM 0 HB3 ASP A 60 -2.860 -2.070 -21.207 1.00 42.00 H new ATOM 953 N GLU A 61 -3.973 -4.525 -23.774 1.00 50.00 N ATOM 954 CA GLU A 61 -5.295 -5.035 -24.044 1.00 63.00 C ATOM 955 C GLU A 61 -5.134 -6.302 -24.838 1.00 70.00 C ATOM 956 O GLU A 61 -4.118 -6.470 -25.556 1.00 73.00 O ATOM 957 CB GLU A 61 -6.120 -4.020 -24.834 1.00 4.00 C ATOM 958 CG GLU A 61 -5.580 -3.761 -26.207 1.00 45.00 C ATOM 959 CD GLU A 61 -6.296 -2.675 -26.921 1.00 32.00 C ATOM 960 OE1 GLU A 61 -7.286 -2.959 -27.623 1.00 63.00 O ATOM 961 OE2 GLU A 61 -5.859 -1.517 -26.824 1.00 13.00 O ATOM 0 H GLU A 61 -3.348 -4.577 -24.579 1.00 50.00 H new ATOM 0 HA GLU A 61 -5.822 -5.226 -23.109 1.00 63.00 H new ATOM 0 HB2 GLU A 61 -7.146 -4.380 -24.916 1.00 4.00 H new ATOM 0 HB3 GLU A 61 -6.155 -3.081 -24.281 1.00 4.00 H new ATOM 0 HG2 GLU A 61 -4.524 -3.503 -26.132 1.00 45.00 H new ATOM 0 HG3 GLU A 61 -5.644 -4.677 -26.794 1.00 45.00 H new ATOM 968 N ALA A 62 -6.071 -7.178 -24.716 1.00 64.00 N ATOM 969 CA ALA A 62 -6.022 -8.422 -25.391 1.00 4.00 C ATOM 970 C ALA A 62 -7.349 -8.690 -26.026 1.00 41.00 C ATOM 971 O ALA A 62 -8.385 -8.738 -25.353 1.00 1.00 O ATOM 972 CB ALA A 62 -5.645 -9.527 -24.440 1.00 11.00 C ATOM 0 H ALA A 62 -6.901 -7.046 -24.138 1.00 64.00 H new ATOM 0 HA ALA A 62 -5.259 -8.383 -26.168 1.00 4.00 H new ATOM 0 HB1 ALA A 62 -5.613 -10.475 -24.978 1.00 11.00 H new ATOM 0 HB2 ALA A 62 -4.665 -9.319 -24.011 1.00 11.00 H new ATOM 0 HB3 ALA A 62 -6.384 -9.588 -23.642 1.00 11.00 H new ATOM 978 N THR A 63 -7.327 -8.826 -27.299 1.00 40.00 N ATOM 979 CA THR A 63 -8.506 -9.053 -28.062 1.00 61.00 C ATOM 980 C THR A 63 -8.279 -10.256 -28.971 1.00 2.00 C ATOM 981 O THR A 63 -7.291 -10.321 -29.690 1.00 15.00 O ATOM 982 CB THR A 63 -8.842 -7.800 -28.906 1.00 13.00 C ATOM 983 OG1 THR A 63 -8.870 -6.635 -28.045 1.00 54.00 O ATOM 984 CG2 THR A 63 -10.199 -7.944 -29.576 1.00 10.00 C ATOM 0 H THR A 63 -6.474 -8.783 -27.856 1.00 40.00 H new ATOM 0 HA THR A 63 -9.345 -9.252 -27.395 1.00 61.00 H new ATOM 0 HB THR A 63 -8.077 -7.690 -29.675 1.00 13.00 H new ATOM 0 HG1 THR A 63 -9.081 -5.840 -28.577 1.00 54.00 H new ATOM 0 HG21 THR A 63 -10.412 -7.050 -30.163 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.191 -8.815 -30.231 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.969 -8.070 -28.815 1.00 10.00 H new ATOM 992 N VAL A 64 -9.157 -11.207 -28.905 1.00 13.00 N ATOM 993 CA VAL A 64 -9.063 -12.373 -29.719 1.00 64.00 C ATOM 994 C VAL A 64 -10.327 -12.522 -30.554 1.00 2.00 C ATOM 995 O VAL A 64 -11.424 -12.773 -30.027 1.00 54.00 O ATOM 996 CB VAL A 64 -8.712 -13.638 -28.892 1.00 20.00 C ATOM 997 CG1 VAL A 64 -9.502 -13.709 -27.620 1.00 21.00 C ATOM 998 CG2 VAL A 64 -8.900 -14.884 -29.707 1.00 64.00 C ATOM 0 H VAL A 64 -9.963 -11.194 -28.280 1.00 13.00 H new ATOM 0 HA VAL A 64 -8.229 -12.255 -30.411 1.00 64.00 H new ATOM 0 HB VAL A 64 -7.659 -13.563 -28.619 1.00 20.00 H new ATOM 0 HG11 VAL A 64 -9.227 -14.609 -27.070 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -9.288 -12.832 -27.010 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -10.566 -13.738 -27.854 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -8.647 -15.755 -29.103 1.00 64.00 H new ATOM 0 HG22 VAL A 64 -9.939 -14.955 -30.029 1.00 64.00 H new ATOM 0 HG23 VAL A 64 -8.251 -14.848 -30.582 1.00 64.00 H new ATOM 1008 N TYR A 65 -10.161 -12.360 -31.842 1.00 24.00 N ATOM 1009 CA TYR A 65 -11.262 -12.259 -32.771 1.00 64.00 C ATOM 1010 C TYR A 65 -10.975 -13.066 -34.033 1.00 54.00 C ATOM 1011 O TYR A 65 -10.159 -12.685 -34.856 1.00 32.00 O ATOM 1012 CB TYR A 65 -11.401 -10.763 -33.125 1.00 33.00 C ATOM 1013 CG TYR A 65 -12.586 -10.299 -33.988 1.00 61.00 C ATOM 1014 CD1 TYR A 65 -13.361 -11.174 -34.736 1.00 23.00 C ATOM 1015 CD2 TYR A 65 -12.900 -8.946 -34.051 1.00 54.00 C ATOM 1016 CE1 TYR A 65 -14.408 -10.724 -35.509 1.00 71.00 C ATOM 1017 CE2 TYR A 65 -13.949 -8.488 -34.822 1.00 1.00 C ATOM 1018 CZ TYR A 65 -14.697 -9.382 -35.550 1.00 61.00 C ATOM 1019 OH TYR A 65 -15.738 -8.932 -36.326 1.00 40.00 O ATOM 0 H TYR A 65 -9.244 -12.293 -32.283 1.00 24.00 H new ATOM 0 HA TYR A 65 -12.178 -12.653 -32.331 1.00 64.00 H new ATOM 0 HB2 TYR A 65 -11.441 -10.207 -32.188 1.00 33.00 H new ATOM 0 HB3 TYR A 65 -10.486 -10.461 -33.636 1.00 33.00 H new ATOM 0 HD1 TYR A 65 -13.138 -12.230 -34.711 1.00 23.00 H new ATOM 0 HD2 TYR A 65 -12.311 -8.239 -33.485 1.00 54.00 H new ATOM 0 HE1 TYR A 65 -15.000 -11.424 -36.081 1.00 71.00 H new ATOM 0 HE2 TYR A 65 -14.181 -7.434 -34.853 1.00 1.00 H new ATOM 0 HH TYR A 65 -15.810 -7.958 -36.243 1.00 40.00 H new ATOM 1029 N LYS A 66 -11.613 -14.184 -34.137 1.00 51.00 N ATOM 1030 CA LYS A 66 -11.655 -14.948 -35.311 1.00 13.00 C ATOM 1031 C LYS A 66 -12.859 -14.470 -36.009 1.00 71.00 C ATOM 1032 O LYS A 66 -13.864 -14.177 -35.363 1.00 45.00 O ATOM 1033 CB LYS A 66 -11.912 -16.427 -34.988 1.00 15.00 C ATOM 1034 CG LYS A 66 -12.102 -17.339 -36.212 1.00 24.00 C ATOM 1035 CD LYS A 66 -10.862 -17.465 -37.072 1.00 54.00 C ATOM 1036 CE LYS A 66 -11.151 -18.248 -38.364 1.00 35.00 C ATOM 1037 NZ LYS A 66 -12.074 -17.527 -39.288 1.00 22.00 N ATOM 0 H LYS A 66 -12.138 -14.596 -33.366 1.00 51.00 H new ATOM 0 HA LYS A 66 -10.724 -14.857 -35.870 1.00 13.00 H new ATOM 0 HB2 LYS A 66 -11.076 -16.805 -34.399 1.00 15.00 H new ATOM 0 HB3 LYS A 66 -12.801 -16.497 -34.361 1.00 15.00 H new ATOM 0 HG2 LYS A 66 -12.401 -18.331 -35.873 1.00 24.00 H new ATOM 0 HG3 LYS A 66 -12.918 -16.951 -36.821 1.00 24.00 H new ATOM 0 HD2 LYS A 66 -10.489 -16.472 -37.323 1.00 54.00 H new ATOM 0 HD3 LYS A 66 -10.076 -17.968 -36.508 1.00 54.00 H new ATOM 0 HE2 LYS A 66 -10.212 -18.447 -38.880 1.00 35.00 H new ATOM 0 HE3 LYS A 66 -11.584 -19.215 -38.107 1.00 35.00 H new ATOM 0 HZ1 LYS A 66 -12.112 -18.026 -40.200 1.00 22.00 H new ATOM 0 HZ2 LYS A 66 -13.026 -17.494 -38.871 1.00 22.00 H new ATOM 0 HZ3 LYS A 66 -11.728 -16.558 -39.438 1.00 22.00 H new ATOM 1051 N ARG A 67 -12.787 -14.377 -37.260 1.00 64.00 N ATOM 1052 CA ARG A 67 -13.959 -14.105 -38.061 1.00 71.00 C ATOM 1053 C ARG A 67 -14.760 -15.384 -38.133 1.00 65.00 C ATOM 1054 O ARG A 67 -14.683 -16.143 -39.092 1.00 33.00 O ATOM 1055 CB ARG A 67 -13.575 -13.624 -39.428 1.00 33.00 C ATOM 1056 CG ARG A 67 -12.701 -12.397 -39.376 1.00 21.00 C ATOM 1057 CD ARG A 67 -13.467 -11.177 -38.923 1.00 3.00 C ATOM 1058 NE ARG A 67 -12.574 -10.073 -38.574 1.00 52.00 N ATOM 1059 CZ ARG A 67 -12.808 -8.784 -38.826 1.00 40.00 C ATOM 1060 NH1 ARG A 67 -13.848 -8.430 -39.575 1.00 71.00 N ATOM 1061 NH2 ARG A 67 -11.995 -7.853 -38.331 1.00 61.00 N ATOM 0 H ARG A 67 -11.924 -14.483 -37.793 1.00 64.00 H new ATOM 0 HA ARG A 67 -14.556 -13.312 -37.611 1.00 71.00 H new ATOM 0 HB2 ARG A 67 -13.050 -14.420 -39.957 1.00 33.00 H new ATOM 0 HB3 ARG A 67 -14.476 -13.402 -39.999 1.00 33.00 H new ATOM 0 HG2 ARG A 67 -11.867 -12.574 -38.697 1.00 21.00 H new ATOM 0 HG3 ARG A 67 -12.276 -12.213 -40.362 1.00 21.00 H new ATOM 0 HD2 ARG A 67 -14.145 -10.859 -39.715 1.00 3.00 H new ATOM 0 HD3 ARG A 67 -14.082 -11.434 -38.060 1.00 3.00 H new ATOM 0 HE ARG A 67 -11.702 -10.307 -38.100 1.00 52.00 H new ATOM 0 HH11 ARG A 67 -14.468 -9.144 -39.957 1.00 71.00 H new ATOM 0 HH12 ARG A 67 -14.026 -7.444 -39.767 1.00 71.00 H new ATOM 0 HH21 ARG A 67 -11.195 -8.126 -37.760 1.00 61.00 H new ATOM 0 HH22 ARG A 67 -12.172 -6.867 -38.523 1.00 61.00 H new ATOM 1075 N ASP A 68 -15.378 -15.644 -37.025 1.00 22.00 N ATOM 1076 CA ASP A 68 -16.164 -16.848 -36.703 1.00 21.00 C ATOM 1077 C ASP A 68 -16.548 -16.782 -35.234 1.00 53.00 C ATOM 1078 O ASP A 68 -17.660 -17.158 -34.843 1.00 5.00 O ATOM 1079 CB ASP A 68 -15.362 -18.146 -36.961 1.00 62.00 C ATOM 1080 CG ASP A 68 -16.132 -19.424 -36.687 1.00 65.00 C ATOM 1081 OD1 ASP A 68 -16.215 -19.846 -35.525 1.00 14.00 O ATOM 1082 OD2 ASP A 68 -16.608 -20.067 -37.630 1.00 72.00 O ATOM 0 H ASP A 68 -15.360 -14.986 -36.246 1.00 22.00 H new ATOM 0 HA ASP A 68 -17.045 -16.872 -37.344 1.00 21.00 H new ATOM 0 HB2 ASP A 68 -15.029 -18.152 -37.999 1.00 62.00 H new ATOM 0 HB3 ASP A 68 -14.467 -18.135 -36.339 1.00 62.00 H new ATOM 1087 N ARG A 69 -15.637 -16.233 -34.431 1.00 3.00 N ATOM 1088 CA ARG A 69 -15.826 -16.124 -32.992 1.00 75.00 C ATOM 1089 C ARG A 69 -14.756 -15.248 -32.320 1.00 31.00 C ATOM 1090 O ARG A 69 -13.548 -15.510 -32.411 1.00 64.00 O ATOM 1091 CB ARG A 69 -15.801 -17.483 -32.277 1.00 34.00 C ATOM 1092 CG ARG A 69 -16.219 -17.358 -30.810 1.00 24.00 C ATOM 1093 CD ARG A 69 -15.652 -18.451 -29.913 1.00 11.00 C ATOM 1094 NE ARG A 69 -16.062 -19.812 -30.282 1.00 15.00 N ATOM 1095 CZ ARG A 69 -16.324 -20.824 -29.418 1.00 52.00 C ATOM 1096 NH1 ARG A 69 -16.390 -20.595 -28.095 1.00 21.00 N ATOM 1097 NH2 ARG A 69 -16.548 -22.052 -29.888 1.00 14.00 N ATOM 0 H ARG A 69 -14.750 -15.853 -34.763 1.00 3.00 H new ATOM 0 HA ARG A 69 -16.811 -15.668 -32.891 1.00 75.00 H new ATOM 0 HB2 ARG A 69 -16.470 -18.176 -32.788 1.00 34.00 H new ATOM 0 HB3 ARG A 69 -14.798 -17.906 -32.335 1.00 34.00 H new ATOM 0 HG2 ARG A 69 -15.897 -16.388 -30.432 1.00 24.00 H new ATOM 0 HG3 ARG A 69 -17.307 -17.379 -30.749 1.00 24.00 H new ATOM 0 HD2 ARG A 69 -14.564 -18.394 -29.935 1.00 11.00 H new ATOM 0 HD3 ARG A 69 -15.961 -18.258 -28.886 1.00 11.00 H new ATOM 0 HE ARG A 69 -16.158 -20.014 -31.277 1.00 15.00 H new ATOM 0 HH11 ARG A 69 -16.242 -19.653 -27.732 1.00 21.00 H new ATOM 0 HH12 ARG A 69 -16.588 -21.363 -27.454 1.00 21.00 H new ATOM 0 HH21 ARG A 69 -16.522 -22.226 -30.893 1.00 14.00 H new ATOM 0 HH22 ARG A 69 -16.746 -22.817 -29.243 1.00 14.00 H new ATOM 1111 N ILE A 70 -15.215 -14.212 -31.711 1.00 52.00 N ATOM 1112 CA ILE A 70 -14.463 -13.417 -30.771 1.00 22.00 C ATOM 1113 C ILE A 70 -14.561 -14.140 -29.471 1.00 50.00 C ATOM 1114 O ILE A 70 -15.654 -14.529 -29.028 1.00 64.00 O ATOM 1115 CB ILE A 70 -15.069 -12.016 -30.555 1.00 2.00 C ATOM 1116 CG1 ILE A 70 -15.216 -11.278 -31.859 1.00 24.00 C ATOM 1117 CG2 ILE A 70 -14.233 -11.193 -29.562 1.00 22.00 C ATOM 1118 CD1 ILE A 70 -15.931 -9.945 -31.755 1.00 43.00 C ATOM 0 H ILE A 70 -16.166 -13.870 -31.852 1.00 52.00 H new ATOM 0 HA ILE A 70 -13.448 -13.285 -31.145 1.00 22.00 H new ATOM 0 HB ILE A 70 -16.063 -12.154 -30.129 1.00 2.00 H new ATOM 0 HG12 ILE A 70 -14.225 -11.111 -32.280 1.00 24.00 H new ATOM 0 HG13 ILE A 70 -15.758 -11.912 -32.561 1.00 24.00 H new ATOM 0 HG21 ILE A 70 -14.687 -10.210 -29.431 1.00 22.00 H new ATOM 0 HG22 ILE A 70 -14.198 -11.707 -28.602 1.00 22.00 H new ATOM 0 HG23 ILE A 70 -13.220 -11.077 -29.948 1.00 22.00 H new ATOM 0 HD11 ILE A 70 -15.990 -9.486 -32.742 1.00 43.00 H new ATOM 0 HD12 ILE A 70 -16.937 -10.101 -31.366 1.00 43.00 H new ATOM 0 HD13 ILE A 70 -15.380 -9.288 -31.082 1.00 43.00 H new ATOM 1130 N VAL A 71 -13.471 -14.311 -28.889 1.00 2.00 N ATOM 1131 CA VAL A 71 -13.346 -15.050 -27.675 1.00 24.00 C ATOM 1132 C VAL A 71 -13.223 -14.071 -26.529 1.00 43.00 C ATOM 1133 O VAL A 71 -13.745 -14.296 -25.467 1.00 63.00 O ATOM 1134 CB VAL A 71 -12.100 -15.981 -27.758 1.00 1.00 C ATOM 1135 CG1 VAL A 71 -12.025 -16.952 -26.597 1.00 41.00 C ATOM 1136 CG2 VAL A 71 -12.065 -16.710 -29.098 1.00 42.00 C ATOM 0 H VAL A 71 -12.588 -13.937 -29.235 1.00 2.00 H new ATOM 0 HA VAL A 71 -14.223 -15.677 -27.513 1.00 24.00 H new ATOM 0 HB VAL A 71 -11.216 -15.348 -27.687 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -11.139 -17.578 -26.703 1.00 41.00 H new ATOM 0 HG12 VAL A 71 -11.967 -16.396 -25.661 1.00 41.00 H new ATOM 0 HG13 VAL A 71 -12.915 -17.581 -26.591 1.00 41.00 H new ATOM 0 HG21 VAL A 71 -11.188 -17.356 -29.138 1.00 42.00 H new ATOM 0 HG22 VAL A 71 -12.966 -17.314 -29.207 1.00 42.00 H new ATOM 0 HG23 VAL A 71 -12.017 -15.982 -29.907 1.00 42.00 H new ATOM 1146 N LEU A 72 -12.625 -12.931 -26.791 1.00 11.00 N ATOM 1147 CA LEU A 72 -12.387 -11.960 -25.725 1.00 62.00 C ATOM 1148 C LEU A 72 -12.125 -10.632 -26.375 1.00 70.00 C ATOM 1149 O LEU A 72 -11.303 -10.554 -27.288 1.00 61.00 O ATOM 1150 CB LEU A 72 -11.126 -12.352 -24.930 1.00 51.00 C ATOM 1151 CG LEU A 72 -10.962 -11.833 -23.499 1.00 31.00 C ATOM 1152 CD1 LEU A 72 -12.161 -12.161 -22.654 1.00 65.00 C ATOM 1153 CD2 LEU A 72 -9.726 -12.469 -22.906 1.00 41.00 C ATOM 0 H LEU A 72 -12.296 -12.648 -27.714 1.00 11.00 H new ATOM 0 HA LEU A 72 -13.246 -11.924 -25.055 1.00 62.00 H new ATOM 0 HB2 LEU A 72 -11.085 -13.441 -24.892 1.00 51.00 H new ATOM 0 HB3 LEU A 72 -10.259 -12.020 -25.502 1.00 51.00 H new ATOM 0 HG LEU A 72 -10.866 -10.748 -23.521 1.00 31.00 H new ATOM 0 HD11 LEU A 72 -12.011 -11.778 -21.645 1.00 65.00 H new ATOM 0 HD12 LEU A 72 -13.049 -11.701 -23.088 1.00 65.00 H new ATOM 0 HD13 LEU A 72 -12.294 -13.242 -22.616 1.00 65.00 H new ATOM 0 HD21 LEU A 72 -9.588 -12.114 -21.885 1.00 41.00 H new ATOM 0 HD22 LEU A 72 -9.841 -13.553 -22.901 1.00 41.00 H new ATOM 0 HD23 LEU A 72 -8.856 -12.200 -23.504 1.00 41.00 H new ATOM 1165 N ASN A 73 -12.811 -9.616 -25.968 1.00 74.00 N ATOM 1166 CA ASN A 73 -12.552 -8.288 -26.516 1.00 70.00 C ATOM 1167 C ASN A 73 -12.468 -7.301 -25.404 1.00 35.00 C ATOM 1168 O ASN A 73 -12.408 -6.092 -25.617 1.00 3.00 O ATOM 1169 CB ASN A 73 -13.608 -7.854 -27.552 1.00 5.00 C ATOM 1170 CG ASN A 73 -15.002 -7.627 -26.964 1.00 62.00 C ATOM 1171 OD1 ASN A 73 -15.814 -8.544 -26.895 1.00 51.00 O ATOM 1172 ND2 ASN A 73 -15.286 -6.416 -26.540 1.00 61.00 N ATOM 0 H ASN A 73 -13.551 -9.658 -25.267 1.00 74.00 H new ATOM 0 HA ASN A 73 -11.601 -8.329 -27.047 1.00 70.00 H new ATOM 0 HB2 ASN A 73 -13.274 -6.935 -28.033 1.00 5.00 H new ATOM 0 HB3 ASN A 73 -13.673 -8.615 -28.330 1.00 5.00 H new ATOM 0 HD21 ASN A 73 -16.203 -6.218 -26.140 1.00 61.00 H new ATOM 0 HD22 ASN A 73 -14.589 -5.674 -26.611 1.00 61.00 H new ATOM 1179 N ASN A 74 -12.376 -7.821 -24.233 1.00 0.00 N ATOM 1180 CA ASN A 74 -12.364 -7.039 -23.057 1.00 51.00 C ATOM 1181 C ASN A 74 -11.523 -7.741 -22.028 1.00 63.00 C ATOM 1182 O ASN A 74 -12.011 -8.540 -21.222 1.00 75.00 O ATOM 1183 CB ASN A 74 -13.801 -6.752 -22.551 1.00 35.00 C ATOM 1184 CG ASN A 74 -13.847 -5.856 -21.329 1.00 64.00 C ATOM 1185 OD1 ASN A 74 -12.957 -5.039 -21.112 1.00 53.00 O ATOM 1186 ND2 ASN A 74 -14.900 -5.958 -20.565 1.00 1.00 N ATOM 0 H ASN A 74 -12.306 -8.825 -24.066 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.925 -6.063 -23.265 1.00 51.00 H new ATOM 0 HB2 ASN A 74 -14.374 -6.287 -23.354 1.00 35.00 H new ATOM 0 HB3 ASN A 74 -14.290 -7.697 -22.317 1.00 35.00 H new ATOM 0 HD21 ASN A 74 -15.004 -5.346 -19.755 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -15.619 -6.649 -20.777 1.00 1.00 H new ATOM 1193 N CYS A 75 -10.252 -7.566 -22.193 1.00 24.00 N ATOM 1194 CA CYS A 75 -9.265 -8.009 -21.301 1.00 72.00 C ATOM 1195 C CYS A 75 -8.133 -7.090 -21.511 1.00 72.00 C ATOM 1196 O CYS A 75 -7.918 -6.601 -22.631 1.00 62.00 O ATOM 1197 CB CYS A 75 -8.817 -9.438 -21.536 1.00 15.00 C ATOM 1198 SG CYS A 75 -7.648 -10.011 -20.245 1.00 53.00 S ATOM 0 H CYS A 75 -9.868 -7.081 -23.004 1.00 24.00 H new ATOM 0 HA CYS A 75 -9.657 -8.006 -20.284 1.00 72.00 H new ATOM 0 HB2 CYS A 75 -9.688 -10.093 -21.553 1.00 15.00 H new ATOM 0 HB3 CYS A 75 -8.342 -9.513 -22.514 1.00 15.00 H new ATOM 1203 N GLN A 76 -7.436 -6.841 -20.490 1.00 73.00 N ATOM 1204 CA GLN A 76 -6.455 -5.873 -20.438 1.00 73.00 C ATOM 1205 C GLN A 76 -5.511 -6.324 -19.424 1.00 63.00 C ATOM 1206 O GLN A 76 -5.876 -7.032 -18.524 1.00 74.00 O ATOM 1207 CB GLN A 76 -7.086 -4.549 -20.098 1.00 14.00 C ATOM 1208 CG GLN A 76 -8.281 -4.728 -19.218 1.00 42.00 C ATOM 1209 CD GLN A 76 -8.853 -3.425 -18.718 1.00 31.00 C ATOM 1210 OE1 GLN A 76 -8.778 -2.401 -19.392 1.00 32.00 O ATOM 1211 NE2 GLN A 76 -9.405 -3.439 -17.535 1.00 11.00 N ATOM 0 H GLN A 76 -7.548 -7.346 -19.611 1.00 73.00 H new ATOM 0 HA GLN A 76 -5.937 -5.731 -21.387 1.00 73.00 H new ATOM 0 HB2 GLN A 76 -6.355 -3.913 -19.598 1.00 14.00 H new ATOM 0 HB3 GLN A 76 -7.380 -4.037 -21.015 1.00 14.00 H new ATOM 0 HG2 GLN A 76 -9.052 -5.268 -19.768 1.00 42.00 H new ATOM 0 HG3 GLN A 76 -8.006 -5.348 -18.364 1.00 42.00 H new ATOM 0 HE21 GLN A 76 -9.450 -4.308 -17.003 1.00 11.00 H new ATOM 0 HE22 GLN A 76 -9.792 -2.581 -17.142 1.00 11.00 H new ATOM 1220 N LEU A 77 -4.328 -5.997 -19.576 1.00 72.00 N ATOM 1221 CA LEU A 77 -3.357 -6.568 -18.725 1.00 4.00 C ATOM 1222 C LEU A 77 -3.156 -5.775 -17.463 1.00 10.00 C ATOM 1223 O LEU A 77 -2.821 -4.594 -17.506 1.00 32.00 O ATOM 1224 CB LEU A 77 -2.057 -6.830 -19.448 1.00 14.00 C ATOM 1225 CG LEU A 77 -0.943 -7.483 -18.628 1.00 32.00 C ATOM 1226 CD1 LEU A 77 -1.389 -8.826 -18.105 1.00 40.00 C ATOM 1227 CD2 LEU A 77 0.304 -7.613 -19.471 1.00 50.00 C ATOM 0 H LEU A 77 -3.979 -5.339 -20.273 1.00 72.00 H new ATOM 0 HA LEU A 77 -3.749 -7.537 -18.415 1.00 4.00 H new ATOM 0 HB2 LEU A 77 -2.266 -7.466 -20.308 1.00 14.00 H new ATOM 0 HB3 LEU A 77 -1.685 -5.882 -19.836 1.00 14.00 H new ATOM 0 HG LEU A 77 -0.715 -6.852 -17.769 1.00 32.00 H new ATOM 0 HD11 LEU A 77 -0.584 -9.276 -17.524 1.00 40.00 H new ATOM 0 HD12 LEU A 77 -2.266 -8.696 -17.470 1.00 40.00 H new ATOM 0 HD13 LEU A 77 -1.640 -9.477 -18.942 1.00 40.00 H new ATOM 0 HD21 LEU A 77 1.094 -8.079 -18.882 1.00 50.00 H new ATOM 0 HD22 LEU A 77 0.090 -8.230 -20.344 1.00 50.00 H new ATOM 0 HD23 LEU A 77 0.628 -6.624 -19.796 1.00 50.00 H new ATOM 1239 N GLN A 78 -3.417 -6.421 -16.349 1.00 55.00 N ATOM 1240 CA GLN A 78 -3.156 -5.834 -15.061 1.00 50.00 C ATOM 1241 C GLN A 78 -1.689 -6.055 -14.708 1.00 21.00 C ATOM 1242 O GLN A 78 -0.911 -5.102 -14.614 1.00 60.00 O ATOM 1243 CB GLN A 78 -4.045 -6.454 -13.968 1.00 31.00 C ATOM 1244 CG GLN A 78 -5.552 -6.352 -14.199 1.00 31.00 C ATOM 1245 CD GLN A 78 -6.014 -4.944 -14.496 1.00 45.00 C ATOM 1246 OE1 GLN A 78 -6.293 -4.172 -13.591 1.00 11.00 O ATOM 1247 NE2 GLN A 78 -6.187 -4.635 -15.748 1.00 73.00 N ATOM 0 H GLN A 78 -3.813 -7.360 -16.313 1.00 55.00 H new ATOM 0 HA GLN A 78 -3.382 -4.769 -15.113 1.00 50.00 H new ATOM 0 HB2 GLN A 78 -3.783 -7.507 -13.867 1.00 31.00 H new ATOM 0 HB3 GLN A 78 -3.809 -5.974 -13.018 1.00 31.00 H new ATOM 0 HG2 GLN A 78 -5.831 -7.002 -15.029 1.00 31.00 H new ATOM 0 HG3 GLN A 78 -6.074 -6.720 -13.316 1.00 31.00 H new ATOM 0 HE21 GLN A 78 -5.943 -5.305 -16.477 1.00 73.00 H new ATOM 0 HE22 GLN A 78 -6.567 -3.723 -16.000 1.00 73.00 H new ATOM 1256 N ASN A 79 -1.308 -7.325 -14.615 1.00 40.00 N ATOM 1257 CA ASN A 79 0.005 -7.741 -14.198 1.00 44.00 C ATOM 1258 C ASN A 79 0.134 -9.206 -14.581 1.00 41.00 C ATOM 1259 O ASN A 79 -0.651 -10.031 -14.135 1.00 24.00 O ATOM 1260 CB ASN A 79 0.205 -7.491 -12.666 1.00 15.00 C ATOM 1261 CG ASN A 79 -0.845 -8.152 -11.762 1.00 1.00 C ATOM 1262 OD1 ASN A 79 -1.921 -7.597 -11.537 1.00 32.00 O ATOM 1263 ND2 ASN A 79 -0.520 -9.276 -11.180 1.00 42.00 N ATOM 0 H ASN A 79 -1.928 -8.105 -14.836 1.00 40.00 H new ATOM 0 HA ASN A 79 0.789 -7.164 -14.688 1.00 44.00 H new ATOM 0 HB2 ASN A 79 1.192 -7.855 -12.379 1.00 15.00 H new ATOM 0 HB3 ASN A 79 0.196 -6.416 -12.484 1.00 15.00 H new ATOM 0 HD21 ASN A 79 -1.164 -9.714 -10.522 1.00 42.00 H new ATOM 0 HD22 ASN A 79 0.378 -9.715 -11.384 1.00 42.00 H new ATOM 1270 N PRO A 80 1.027 -9.517 -15.535 1.00 40.00 N ATOM 1271 CA PRO A 80 1.147 -10.861 -16.084 1.00 31.00 C ATOM 1272 C PRO A 80 1.633 -11.978 -15.121 1.00 42.00 C ATOM 1273 O PRO A 80 0.855 -12.518 -14.339 1.00 62.00 O ATOM 1274 CB PRO A 80 2.082 -10.702 -17.274 1.00 34.00 C ATOM 1275 CG PRO A 80 2.844 -9.458 -16.991 1.00 42.00 C ATOM 1276 CD PRO A 80 1.917 -8.568 -16.231 1.00 22.00 C ATOM 0 HA PRO A 80 0.151 -11.224 -16.337 1.00 31.00 H new ATOM 0 HB2 PRO A 80 2.747 -11.560 -17.373 1.00 34.00 H new ATOM 0 HB3 PRO A 80 1.525 -10.622 -18.207 1.00 34.00 H new ATOM 0 HG2 PRO A 80 3.741 -9.674 -16.410 1.00 42.00 H new ATOM 0 HG3 PRO A 80 3.170 -8.982 -17.916 1.00 42.00 H new ATOM 0 HD2 PRO A 80 2.456 -7.933 -15.528 1.00 22.00 H new ATOM 0 HD3 PRO A 80 1.360 -7.907 -16.895 1.00 22.00 H new ATOM 1284 N GLN A 81 2.929 -12.317 -15.179 1.00 75.00 N ATOM 1285 CA GLN A 81 3.479 -13.381 -14.389 1.00 10.00 C ATOM 1286 C GLN A 81 3.727 -12.904 -12.978 1.00 51.00 C ATOM 1287 O GLN A 81 3.874 -13.692 -12.034 1.00 54.00 O ATOM 1288 CB GLN A 81 4.769 -13.878 -15.037 1.00 22.00 C ATOM 1289 CG GLN A 81 5.321 -15.118 -14.400 1.00 31.00 C ATOM 1290 CD GLN A 81 6.642 -15.600 -14.997 1.00 60.00 C ATOM 1291 OE1 GLN A 81 7.461 -16.200 -14.301 1.00 13.00 O ATOM 1292 NE2 GLN A 81 6.862 -15.359 -16.257 1.00 63.00 N ATOM 0 H GLN A 81 3.608 -11.850 -15.780 1.00 75.00 H new ATOM 0 HA GLN A 81 2.771 -14.209 -14.343 1.00 10.00 H new ATOM 0 HB2 GLN A 81 4.583 -14.074 -16.093 1.00 22.00 H new ATOM 0 HB3 GLN A 81 5.519 -13.089 -14.986 1.00 22.00 H new ATOM 0 HG2 GLN A 81 5.464 -14.932 -13.335 1.00 31.00 H new ATOM 0 HG3 GLN A 81 4.584 -15.916 -14.488 1.00 31.00 H new ATOM 0 HE21 GLN A 81 6.165 -14.860 -16.810 1.00 63.00 H new ATOM 0 HE22 GLN A 81 7.731 -15.670 -16.692 1.00 63.00 H new ATOM 1301 N ARG A 82 3.733 -11.629 -12.842 1.00 22.00 N ATOM 1302 CA ARG A 82 4.002 -10.996 -11.593 1.00 22.00 C ATOM 1303 C ARG A 82 2.857 -10.078 -11.287 1.00 11.00 C ATOM 1304 O ARG A 82 2.918 -8.893 -11.645 1.00 22.00 O ATOM 1305 CB ARG A 82 5.302 -10.210 -11.677 1.00 52.00 C ATOM 1306 CG ARG A 82 6.506 -11.047 -12.072 1.00 62.00 C ATOM 1307 CD ARG A 82 7.717 -10.162 -12.298 1.00 11.00 C ATOM 1308 NE ARG A 82 7.446 -9.170 -13.346 1.00 44.00 N ATOM 1309 CZ ARG A 82 7.892 -7.906 -13.370 1.00 40.00 C ATOM 1310 NH1 ARG A 82 8.719 -7.465 -12.434 1.00 52.00 N ATOM 1311 NH2 ARG A 82 7.516 -7.091 -14.349 1.00 43.00 N ATOM 1312 OXT ARG A 82 1.858 -10.551 -10.741 1.00 63.00 O ATOM 0 H ARG A 82 3.548 -10.979 -13.606 1.00 22.00 H new ATOM 0 HA ARG A 82 4.108 -11.740 -10.803 1.00 22.00 H new ATOM 0 HB2 ARG A 82 5.181 -9.403 -12.400 1.00 52.00 H new ATOM 0 HB3 ARG A 82 5.497 -9.745 -10.710 1.00 52.00 H new ATOM 0 HG2 ARG A 82 6.722 -11.776 -11.291 1.00 62.00 H new ATOM 0 HG3 ARG A 82 6.284 -11.609 -12.980 1.00 62.00 H new ATOM 0 HD2 ARG A 82 7.982 -9.655 -11.370 1.00 11.00 H new ATOM 0 HD3 ARG A 82 8.573 -10.774 -12.582 1.00 11.00 H new ATOM 0 HE ARG A 82 6.864 -9.470 -14.128 1.00 44.00 H new ATOM 0 HH11 ARG A 82 9.022 -8.089 -11.686 1.00 52.00 H new ATOM 0 HH12 ARG A 82 9.053 -6.502 -12.461 1.00 52.00 H new ATOM 0 HH21 ARG A 82 6.889 -7.427 -15.080 1.00 43.00 H new ATOM 0 HH22 ARG A 82 7.854 -6.129 -14.370 1.00 43.00 H new TER 1326 ARG A 82