USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 580 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 19 ASN : amide:sc= 1.23 K(o=2.2,f=-1.2) USER MOD Set 1.2: A 53 THR OG1 : rot -50:sc= 0.979 USER MOD Set 2.1: A 2 ASN : amide:sc= 1.61 K(o=2.6,f=0.3) USER MOD Set 2.2: A 11 THR OG1 : rot -85:sc= 0.965 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.211 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.1 (180deg=0.094) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -1.09 F(o=-2.1!,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 0.677 (180deg=0.313) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.108 (180deg=-0.408) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.29 K(o=1.3,f=-6.3!) USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.724 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.425 (180deg=0.362) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -161:sc= -0.921 (180deg=-1.82!) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.031 (180deg=-0.268) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 74 HIS : no HD1:sc= -0.385 K(o=-0.38,f=-2.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.174 K(o=0.17,f=-3.4!) USER MOD Single : A 78 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.028 -11.102 -2.671 1.00 2.54 N ATOM 2 CA MET A 1 -2.247 -10.586 -1.510 1.00 22.44 C ATOM 3 C MET A 1 -2.817 -9.253 -0.994 1.00 51.21 C ATOM 4 O MET A 1 -3.481 -8.523 -1.732 1.00 64.40 O ATOM 5 CB MET A 1 -0.763 -10.417 -1.885 1.00 55.32 C ATOM 6 CG MET A 1 -0.498 -9.363 -2.953 1.00 30.21 C ATOM 7 SD MET A 1 1.257 -9.127 -3.290 1.00 10.32 S ATOM 8 CE MET A 1 1.722 -10.749 -3.890 1.00 72.41 C ATOM 0 H1 MET A 1 -2.392 -11.609 -3.319 1.00 2.54 H new ATOM 0 H2 MET A 1 -3.766 -11.751 -2.332 1.00 2.54 H new ATOM 0 H3 MET A 1 -3.471 -10.306 -3.173 1.00 2.54 H new ATOM 0 HA MET A 1 -2.328 -11.321 -0.709 1.00 22.44 H new ATOM 0 HB2 MET A 1 -0.202 -10.156 -0.988 1.00 55.32 H new ATOM 0 HB3 MET A 1 -0.378 -11.375 -2.234 1.00 55.32 H new ATOM 0 HG2 MET A 1 -1.003 -9.652 -3.874 1.00 30.21 H new ATOM 0 HG3 MET A 1 -0.932 -8.415 -2.635 1.00 30.21 H new ATOM 0 HE1 MET A 1 2.700 -10.694 -4.367 1.00 72.41 H new ATOM 0 HE2 MET A 1 1.765 -11.448 -3.054 1.00 72.41 H new ATOM 0 HE3 MET A 1 0.984 -11.094 -4.614 1.00 72.41 H new ATOM 20 N ASN A 2 -2.548 -8.945 0.274 1.00 60.44 N ATOM 21 CA ASN A 2 -3.027 -7.707 0.904 1.00 64.20 C ATOM 22 C ASN A 2 -1.902 -6.657 0.985 1.00 34.42 C ATOM 23 O ASN A 2 -0.911 -6.848 1.693 1.00 20.31 O ATOM 24 CB ASN A 2 -3.560 -8.008 2.310 1.00 4.31 C ATOM 25 CG ASN A 2 -4.646 -9.068 2.303 1.00 35.41 C ATOM 26 OD1 ASN A 2 -5.824 -8.765 2.170 1.00 64.55 O ATOM 27 ND2 ASN A 2 -4.261 -10.319 2.446 1.00 5.10 N ATOM 0 H ASN A 2 -1.996 -9.539 0.893 1.00 60.44 H new ATOM 0 HA ASN A 2 -3.831 -7.301 0.290 1.00 64.20 H new ATOM 0 HB2 ASN A 2 -2.737 -8.339 2.944 1.00 4.31 H new ATOM 0 HB3 ASN A 2 -3.953 -7.092 2.750 1.00 4.31 H new ATOM 0 HD21 ASN A 2 -4.953 -11.068 2.448 1.00 5.10 H new ATOM 0 HD22 ASN A 2 -3.271 -10.539 2.555 1.00 5.10 H new ATOM 34 N LEU A 3 -2.066 -5.550 0.262 1.00 72.34 N ATOM 35 CA LEU A 3 -1.039 -4.500 0.196 1.00 65.10 C ATOM 36 C LEU A 3 -1.568 -3.164 0.736 1.00 21.32 C ATOM 37 O LEU A 3 -2.613 -2.674 0.307 1.00 51.25 O ATOM 38 CB LEU A 3 -0.560 -4.323 -1.252 1.00 65.03 C ATOM 39 CG LEU A 3 -0.009 -5.591 -1.920 1.00 64.54 C ATOM 40 CD1 LEU A 3 0.382 -5.318 -3.371 1.00 33.20 C ATOM 41 CD2 LEU A 3 1.177 -6.136 -1.129 1.00 63.44 C ATOM 0 H LEU A 3 -2.901 -5.353 -0.289 1.00 72.34 H new ATOM 0 HA LEU A 3 -0.202 -4.811 0.821 1.00 65.10 H new ATOM 0 HB2 LEU A 3 -1.392 -3.949 -1.849 1.00 65.03 H new ATOM 0 HB3 LEU A 3 0.215 -3.557 -1.270 1.00 65.03 H new ATOM 0 HG LEU A 3 -0.795 -6.346 -1.924 1.00 64.54 H new ATOM 0 HD11 LEU A 3 0.769 -6.232 -3.822 1.00 33.20 H new ATOM 0 HD12 LEU A 3 -0.493 -4.982 -3.927 1.00 33.20 H new ATOM 0 HD13 LEU A 3 1.150 -4.545 -3.402 1.00 33.20 H new ATOM 0 HD21 LEU A 3 1.556 -7.035 -1.615 1.00 63.44 H new ATOM 0 HD22 LEU A 3 1.965 -5.384 -1.091 1.00 63.44 H new ATOM 0 HD23 LEU A 3 0.858 -6.379 -0.116 1.00 63.44 H new ATOM 53 N THR A 4 -0.832 -2.575 1.670 1.00 2.13 N ATOM 54 CA THR A 4 -1.244 -1.324 2.316 1.00 72.34 C ATOM 55 C THR A 4 -0.881 -0.101 1.457 1.00 3.11 C ATOM 56 O THR A 4 0.255 0.377 1.483 1.00 40.25 O ATOM 57 CB THR A 4 -0.592 -1.191 3.714 1.00 22.14 C ATOM 58 OG1 THR A 4 -0.846 -2.379 4.480 1.00 35.25 O ATOM 59 CG2 THR A 4 -1.130 0.018 4.469 1.00 21.25 C ATOM 0 H THR A 4 0.060 -2.942 2.002 1.00 2.13 H new ATOM 0 HA THR A 4 -2.328 -1.357 2.427 1.00 72.34 H new ATOM 0 HB THR A 4 0.480 -1.056 3.572 1.00 22.14 H new ATOM 0 HG1 THR A 4 -0.431 -2.293 5.364 1.00 35.25 H new ATOM 0 HG21 THR A 4 -0.650 0.080 5.446 1.00 21.25 H new ATOM 0 HG22 THR A 4 -0.918 0.925 3.902 1.00 21.25 H new ATOM 0 HG23 THR A 4 -2.207 -0.085 4.600 1.00 21.25 H new ATOM 67 N VAL A 5 -1.852 0.402 0.696 1.00 24.13 N ATOM 68 CA VAL A 5 -1.618 1.512 -0.240 1.00 62.43 C ATOM 69 C VAL A 5 -1.746 2.885 0.454 1.00 2.23 C ATOM 70 O VAL A 5 -2.838 3.293 0.854 1.00 21.52 O ATOM 71 CB VAL A 5 -2.603 1.442 -1.437 1.00 13.43 C ATOM 72 CG1 VAL A 5 -2.268 2.502 -2.485 1.00 0.34 C ATOM 73 CG2 VAL A 5 -2.597 0.046 -2.059 1.00 32.33 C ATOM 0 H VAL A 5 -2.813 0.060 0.706 1.00 24.13 H new ATOM 0 HA VAL A 5 -0.597 1.408 -0.606 1.00 62.43 H new ATOM 0 HB VAL A 5 -3.606 1.646 -1.061 1.00 13.43 H new ATOM 0 HG11 VAL A 5 -2.973 2.431 -3.313 1.00 0.34 H new ATOM 0 HG12 VAL A 5 -2.335 3.493 -2.035 1.00 0.34 H new ATOM 0 HG13 VAL A 5 -1.256 2.340 -2.856 1.00 0.34 H new ATOM 0 HG21 VAL A 5 -3.294 0.018 -2.896 1.00 32.33 H new ATOM 0 HG22 VAL A 5 -1.594 -0.190 -2.414 1.00 32.33 H new ATOM 0 HG23 VAL A 5 -2.899 -0.687 -1.311 1.00 32.33 H new ATOM 83 N ASN A 6 -0.614 3.585 0.598 1.00 32.13 N ATOM 84 CA ASN A 6 -0.558 4.906 1.263 1.00 54.52 C ATOM 85 C ASN A 6 -1.085 4.857 2.709 1.00 43.11 C ATOM 86 O ASN A 6 -1.535 5.871 3.250 1.00 51.43 O ATOM 87 CB ASN A 6 -1.341 5.966 0.472 1.00 63.33 C ATOM 88 CG ASN A 6 -0.833 6.147 -0.944 1.00 32.02 C ATOM 89 OD1 ASN A 6 -1.514 5.555 -1.900 1.00 53.50 O flip ATOM 90 ND2 ASN A 6 0.143 6.846 -1.182 1.00 4.40 N flip ATOM 0 H ASN A 6 0.291 3.258 0.260 1.00 32.13 H new ATOM 0 HA ASN A 6 0.496 5.184 1.292 1.00 54.52 H new ATOM 0 HB2 ASN A 6 -2.393 5.683 0.441 1.00 63.33 H new ATOM 0 HB3 ASN A 6 -1.282 6.919 0.997 1.00 63.33 H new ATOM 0 HD21 ASN A 6 0.650 7.292 -0.417 1.00 4.40 H new ATOM 0 HD22 ASN A 6 0.450 6.983 -2.145 1.00 4.40 H new ATOM 97 N GLY A 7 -1.011 3.683 3.335 1.00 44.20 N ATOM 98 CA GLY A 7 -1.514 3.518 4.700 1.00 64.10 C ATOM 99 C GLY A 7 -2.886 2.848 4.756 1.00 43.45 C ATOM 100 O GLY A 7 -3.342 2.435 5.825 1.00 65.55 O ATOM 0 H GLY A 7 -0.612 2.839 2.924 1.00 44.20 H new ATOM 0 HA2 GLY A 7 -0.803 2.924 5.274 1.00 64.10 H new ATOM 0 HA3 GLY A 7 -1.573 4.495 5.180 1.00 64.10 H new ATOM 104 N LYS A 8 -3.537 2.725 3.602 1.00 23.41 N ATOM 105 CA LYS A 8 -4.858 2.089 3.517 1.00 54.45 C ATOM 106 C LYS A 8 -4.744 0.655 2.965 1.00 11.35 C ATOM 107 O LYS A 8 -4.363 0.456 1.809 1.00 65.44 O ATOM 108 CB LYS A 8 -5.810 2.912 2.629 1.00 51.22 C ATOM 109 CG LYS A 8 -6.063 4.339 3.123 1.00 21.25 C ATOM 110 CD LYS A 8 -4.870 5.263 2.868 1.00 35.55 C ATOM 111 CE LYS A 8 -5.116 6.672 3.390 1.00 74.21 C ATOM 112 NZ LYS A 8 -3.975 7.585 3.097 1.00 53.55 N ATOM 0 H LYS A 8 -3.174 3.057 2.708 1.00 23.41 H new ATOM 0 HA LYS A 8 -5.267 2.047 4.526 1.00 54.45 H new ATOM 0 HB2 LYS A 8 -5.398 2.958 1.621 1.00 51.22 H new ATOM 0 HB3 LYS A 8 -6.764 2.390 2.560 1.00 51.22 H new ATOM 0 HG2 LYS A 8 -6.945 4.742 2.625 1.00 21.25 H new ATOM 0 HG3 LYS A 8 -6.281 4.318 4.191 1.00 21.25 H new ATOM 0 HD2 LYS A 8 -3.982 4.849 3.347 1.00 35.55 H new ATOM 0 HD3 LYS A 8 -4.665 5.304 1.798 1.00 35.55 H new ATOM 0 HE2 LYS A 8 -6.025 7.072 2.940 1.00 74.21 H new ATOM 0 HE3 LYS A 8 -5.283 6.635 4.466 1.00 74.21 H new ATOM 0 HZ1 LYS A 8 -3.955 8.352 3.799 1.00 53.55 H new ATOM 0 HZ2 LYS A 8 -3.083 7.051 3.141 1.00 53.55 H new ATOM 0 HZ3 LYS A 8 -4.090 7.990 2.146 1.00 53.55 H new ATOM 126 N PRO A 9 -5.072 -0.365 3.784 1.00 44.32 N ATOM 127 CA PRO A 9 -4.955 -1.781 3.384 1.00 50.10 C ATOM 128 C PRO A 9 -5.876 -2.156 2.208 1.00 23.14 C ATOM 129 O PRO A 9 -7.103 -2.087 2.313 1.00 32.23 O ATOM 130 CB PRO A 9 -5.361 -2.557 4.653 1.00 71.24 C ATOM 131 CG PRO A 9 -5.245 -1.569 5.766 1.00 32.32 C ATOM 132 CD PRO A 9 -5.579 -0.234 5.161 1.00 43.10 C ATOM 0 HA PRO A 9 -3.949 -2.008 3.031 1.00 50.10 H new ATOM 0 HB2 PRO A 9 -6.378 -2.942 4.572 1.00 71.24 H new ATOM 0 HB3 PRO A 9 -4.708 -3.414 4.817 1.00 71.24 H new ATOM 0 HG2 PRO A 9 -5.929 -1.813 6.579 1.00 32.32 H new ATOM 0 HG3 PRO A 9 -4.239 -1.568 6.186 1.00 32.32 H new ATOM 0 HD2 PRO A 9 -6.651 -0.038 5.181 1.00 43.10 H new ATOM 0 HD3 PRO A 9 -5.095 0.584 5.694 1.00 43.10 H new ATOM 140 N SER A 10 -5.274 -2.540 1.086 1.00 45.33 N ATOM 141 CA SER A 10 -6.024 -2.987 -0.096 1.00 30.52 C ATOM 142 C SER A 10 -5.759 -4.471 -0.372 1.00 63.15 C ATOM 143 O SER A 10 -4.747 -5.021 0.061 1.00 51.04 O ATOM 144 CB SER A 10 -5.634 -2.154 -1.322 1.00 13.43 C ATOM 145 OG SER A 10 -6.426 -2.491 -2.453 1.00 32.44 O ATOM 0 H SER A 10 -4.261 -2.552 0.965 1.00 45.33 H new ATOM 0 HA SER A 10 -7.087 -2.850 0.103 1.00 30.52 H new ATOM 0 HB2 SER A 10 -5.753 -1.094 -1.096 1.00 13.43 H new ATOM 0 HB3 SER A 10 -4.581 -2.315 -1.553 1.00 13.43 H new ATOM 0 HG SER A 10 -6.155 -1.942 -3.218 1.00 32.44 H new ATOM 151 N THR A 11 -6.660 -5.117 -1.103 1.00 32.42 N ATOM 152 CA THR A 11 -6.552 -6.559 -1.356 1.00 3.22 C ATOM 153 C THR A 11 -6.604 -6.881 -2.852 1.00 23.33 C ATOM 154 O THR A 11 -7.643 -6.734 -3.494 1.00 31.53 O ATOM 155 CB THR A 11 -7.676 -7.347 -0.637 1.00 64.51 C ATOM 156 OG1 THR A 11 -7.637 -7.094 0.779 1.00 64.32 O ATOM 157 CG2 THR A 11 -7.550 -8.847 -0.893 1.00 14.32 C ATOM 0 H THR A 11 -7.472 -4.673 -1.532 1.00 32.42 H new ATOM 0 HA THR A 11 -5.584 -6.865 -0.960 1.00 3.22 H new ATOM 0 HB THR A 11 -8.630 -7.006 -1.040 1.00 64.51 H new ATOM 0 HG1 THR A 11 -6.995 -7.702 1.202 1.00 64.32 H new ATOM 0 HG21 THR A 11 -8.352 -9.373 -0.376 1.00 14.32 H new ATOM 0 HG22 THR A 11 -7.620 -9.041 -1.963 1.00 14.32 H new ATOM 0 HG23 THR A 11 -6.587 -9.200 -0.523 1.00 14.32 H new ATOM 165 N VAL A 12 -5.474 -7.314 -3.404 1.00 72.34 N ATOM 166 CA VAL A 12 -5.417 -7.769 -4.797 1.00 2.35 C ATOM 167 C VAL A 12 -5.483 -9.308 -4.870 1.00 63.21 C ATOM 168 O VAL A 12 -4.502 -10.010 -4.595 1.00 42.21 O ATOM 169 CB VAL A 12 -4.150 -7.239 -5.526 1.00 42.25 C ATOM 170 CG1 VAL A 12 -4.269 -5.733 -5.766 1.00 55.13 C ATOM 171 CG2 VAL A 12 -2.879 -7.555 -4.736 1.00 33.45 C ATOM 0 H VAL A 12 -4.583 -7.361 -2.910 1.00 72.34 H new ATOM 0 HA VAL A 12 -6.286 -7.358 -5.311 1.00 2.35 H new ATOM 0 HB VAL A 12 -4.078 -7.747 -6.488 1.00 42.25 H new ATOM 0 HG11 VAL A 12 -3.376 -5.374 -6.277 1.00 55.13 H new ATOM 0 HG12 VAL A 12 -5.145 -5.531 -6.382 1.00 55.13 H new ATOM 0 HG13 VAL A 12 -4.371 -5.219 -4.810 1.00 55.13 H new ATOM 0 HG21 VAL A 12 -2.012 -7.171 -5.273 1.00 33.45 H new ATOM 0 HG22 VAL A 12 -2.935 -7.085 -3.754 1.00 33.45 H new ATOM 0 HG23 VAL A 12 -2.783 -8.634 -4.617 1.00 33.45 H new ATOM 181 N ASP A 13 -6.663 -9.821 -5.213 1.00 42.35 N ATOM 182 CA ASP A 13 -6.912 -11.266 -5.250 1.00 73.22 C ATOM 183 C ASP A 13 -6.322 -11.910 -6.522 1.00 71.53 C ATOM 184 O ASP A 13 -6.455 -11.375 -7.625 1.00 52.34 O ATOM 185 CB ASP A 13 -8.424 -11.519 -5.162 1.00 0.42 C ATOM 186 CG ASP A 13 -8.768 -12.984 -4.954 1.00 45.14 C ATOM 187 OD1 ASP A 13 -8.500 -13.511 -3.853 1.00 20.35 O ATOM 188 OD2 ASP A 13 -9.332 -13.610 -5.876 1.00 1.35 O ATOM 0 H ASP A 13 -7.470 -9.254 -5.472 1.00 42.35 H new ATOM 0 HA ASP A 13 -6.415 -11.729 -4.398 1.00 73.22 H new ATOM 0 HB2 ASP A 13 -8.838 -10.934 -4.341 1.00 0.42 H new ATOM 0 HB3 ASP A 13 -8.900 -11.166 -6.077 1.00 0.42 H new ATOM 193 N GLY A 14 -5.670 -13.062 -6.358 1.00 22.24 N ATOM 194 CA GLY A 14 -5.015 -13.728 -7.483 1.00 15.10 C ATOM 195 C GLY A 14 -3.563 -13.289 -7.674 1.00 24.24 C ATOM 196 O GLY A 14 -2.957 -13.544 -8.717 1.00 51.12 O ATOM 0 H GLY A 14 -5.582 -13.549 -5.466 1.00 22.24 H new ATOM 0 HA2 GLY A 14 -5.045 -14.806 -7.327 1.00 15.10 H new ATOM 0 HA3 GLY A 14 -5.574 -13.522 -8.396 1.00 15.10 H new ATOM 200 N ALA A 15 -3.003 -12.628 -6.662 1.00 11.03 N ATOM 201 CA ALA A 15 -1.616 -12.153 -6.716 1.00 73.23 C ATOM 202 C ALA A 15 -0.683 -13.055 -5.892 1.00 51.24 C ATOM 203 O ALA A 15 -0.635 -12.958 -4.661 1.00 31.30 O ATOM 204 CB ALA A 15 -1.539 -10.713 -6.228 1.00 73.43 C ATOM 0 H ALA A 15 -3.487 -12.408 -5.792 1.00 11.03 H new ATOM 0 HA ALA A 15 -1.282 -12.194 -7.753 1.00 73.23 H new ATOM 0 HB1 ALA A 15 -0.506 -10.369 -6.272 1.00 73.43 H new ATOM 0 HB2 ALA A 15 -2.159 -10.080 -6.863 1.00 73.43 H new ATOM 0 HB3 ALA A 15 -1.897 -10.658 -5.200 1.00 73.43 H new ATOM 210 N GLU A 16 0.059 -13.929 -6.573 1.00 13.33 N ATOM 211 CA GLU A 16 0.944 -14.892 -5.902 1.00 24.22 C ATOM 212 C GLU A 16 2.421 -14.497 -6.066 1.00 20.11 C ATOM 213 O GLU A 16 3.084 -14.907 -7.020 1.00 73.12 O ATOM 214 CB GLU A 16 0.706 -16.308 -6.456 1.00 10.14 C ATOM 215 CG GLU A 16 1.505 -17.400 -5.748 1.00 41.35 C ATOM 216 CD GLU A 16 1.280 -18.777 -6.354 1.00 41.42 C ATOM 217 OE1 GLU A 16 1.921 -19.096 -7.376 1.00 42.51 O ATOM 218 OE2 GLU A 16 0.452 -19.545 -5.822 1.00 44.10 O ATOM 0 H GLU A 16 0.067 -13.993 -7.591 1.00 13.33 H new ATOM 0 HA GLU A 16 0.709 -14.883 -4.838 1.00 24.22 H new ATOM 0 HB2 GLU A 16 -0.356 -16.542 -6.379 1.00 10.14 H new ATOM 0 HB3 GLU A 16 0.958 -16.318 -7.516 1.00 10.14 H new ATOM 0 HG2 GLU A 16 2.566 -17.156 -5.794 1.00 41.35 H new ATOM 0 HG3 GLU A 16 1.228 -17.422 -4.694 1.00 41.35 H new ATOM 225 N SER A 17 2.906 -13.669 -5.139 1.00 33.42 N ATOM 226 CA SER A 17 4.307 -13.200 -5.125 1.00 15.22 C ATOM 227 C SER A 17 4.760 -12.665 -6.491 1.00 21.12 C ATOM 228 O SER A 17 5.250 -13.416 -7.338 1.00 52.31 O ATOM 229 CB SER A 17 5.261 -14.309 -4.655 1.00 3.31 C ATOM 230 OG SER A 17 4.994 -14.684 -3.311 1.00 44.34 O ATOM 0 H SER A 17 2.343 -13.300 -4.372 1.00 33.42 H new ATOM 0 HA SER A 17 4.346 -12.374 -4.415 1.00 15.22 H new ATOM 0 HB2 SER A 17 5.159 -15.178 -5.304 1.00 3.31 H new ATOM 0 HB3 SER A 17 6.292 -13.966 -4.741 1.00 3.31 H new ATOM 0 HG SER A 17 5.615 -15.392 -3.039 1.00 44.34 H new ATOM 236 N LEU A 18 4.602 -11.362 -6.693 1.00 33.01 N ATOM 237 CA LEU A 18 4.955 -10.721 -7.964 1.00 53.23 C ATOM 238 C LEU A 18 5.855 -9.498 -7.749 1.00 0.20 C ATOM 239 O LEU A 18 5.833 -8.873 -6.692 1.00 53.20 O ATOM 240 CB LEU A 18 3.678 -10.344 -8.746 1.00 71.40 C ATOM 241 CG LEU A 18 2.529 -9.706 -7.932 1.00 24.44 C ATOM 242 CD1 LEU A 18 2.888 -8.308 -7.441 1.00 2.32 C ATOM 243 CD2 LEU A 18 1.242 -9.667 -8.760 1.00 53.14 C ATOM 0 H LEU A 18 4.230 -10.722 -5.992 1.00 33.01 H new ATOM 0 HA LEU A 18 5.524 -11.437 -8.557 1.00 53.23 H new ATOM 0 HB2 LEU A 18 3.957 -9.652 -9.541 1.00 71.40 H new ATOM 0 HB3 LEU A 18 3.295 -11.244 -9.227 1.00 71.40 H new ATOM 0 HG LEU A 18 2.366 -10.330 -7.053 1.00 24.44 H new ATOM 0 HD11 LEU A 18 2.053 -7.896 -6.874 1.00 2.32 H new ATOM 0 HD12 LEU A 18 3.769 -8.362 -6.802 1.00 2.32 H new ATOM 0 HD13 LEU A 18 3.098 -7.665 -8.296 1.00 2.32 H new ATOM 0 HD21 LEU A 18 0.444 -9.215 -8.171 1.00 53.14 H new ATOM 0 HD22 LEU A 18 1.407 -9.077 -9.661 1.00 53.14 H new ATOM 0 HD23 LEU A 18 0.957 -10.682 -9.038 1.00 53.14 H new ATOM 255 N ASN A 19 6.653 -9.168 -8.754 1.00 0.12 N ATOM 256 CA ASN A 19 7.560 -8.021 -8.673 1.00 64.13 C ATOM 257 C ASN A 19 6.781 -6.704 -8.750 1.00 0.23 C ATOM 258 O ASN A 19 5.645 -6.676 -9.225 1.00 61.41 O ATOM 259 CB ASN A 19 8.582 -8.086 -9.808 1.00 74.41 C ATOM 260 CG ASN A 19 9.242 -9.446 -9.906 1.00 75.22 C ATOM 261 OD1 ASN A 19 9.407 -10.146 -8.912 1.00 63.54 O ATOM 262 ND2 ASN A 19 9.626 -9.831 -11.101 1.00 54.11 N ATOM 0 H ASN A 19 6.694 -9.676 -9.638 1.00 0.12 H new ATOM 0 HA ASN A 19 8.079 -8.059 -7.715 1.00 64.13 H new ATOM 0 HB2 ASN A 19 8.089 -7.854 -10.752 1.00 74.41 H new ATOM 0 HB3 ASN A 19 9.345 -7.324 -9.651 1.00 74.41 H new ATOM 0 HD21 ASN A 19 10.077 -10.737 -11.224 1.00 54.11 H new ATOM 0 HD22 ASN A 19 9.473 -9.224 -11.906 1.00 54.11 H new ATOM 269 N VAL A 20 7.397 -5.608 -8.302 1.00 21.25 N ATOM 270 CA VAL A 20 6.756 -4.289 -8.374 1.00 24.31 C ATOM 271 C VAL A 20 6.357 -3.960 -9.824 1.00 1.43 C ATOM 272 O VAL A 20 5.309 -3.362 -10.073 1.00 30.11 O ATOM 273 CB VAL A 20 7.676 -3.167 -7.826 1.00 74.21 C ATOM 274 CG1 VAL A 20 6.940 -1.826 -7.782 1.00 63.21 C ATOM 275 CG2 VAL A 20 8.228 -3.531 -6.446 1.00 22.51 C ATOM 0 H VAL A 20 8.330 -5.604 -7.889 1.00 21.25 H new ATOM 0 HA VAL A 20 5.864 -4.334 -7.749 1.00 24.31 H new ATOM 0 HB VAL A 20 8.520 -3.066 -8.509 1.00 74.21 H new ATOM 0 HG11 VAL A 20 7.608 -1.057 -7.394 1.00 63.21 H new ATOM 0 HG12 VAL A 20 6.619 -1.554 -8.787 1.00 63.21 H new ATOM 0 HG13 VAL A 20 6.068 -1.911 -7.133 1.00 63.21 H new ATOM 0 HG21 VAL A 20 8.869 -2.726 -6.087 1.00 22.51 H new ATOM 0 HG22 VAL A 20 7.402 -3.675 -5.750 1.00 22.51 H new ATOM 0 HG23 VAL A 20 8.807 -4.452 -6.517 1.00 22.51 H new ATOM 285 N THR A 21 7.196 -4.374 -10.778 1.00 23.15 N ATOM 286 CA THR A 21 6.876 -4.242 -12.207 1.00 62.15 C ATOM 287 C THR A 21 5.549 -4.934 -12.539 1.00 62.35 C ATOM 288 O THR A 21 4.653 -4.334 -13.135 1.00 12.25 O ATOM 289 CB THR A 21 7.981 -4.850 -13.107 1.00 3.23 C ATOM 290 OG1 THR A 21 9.247 -4.234 -12.829 1.00 4.42 O ATOM 291 CG2 THR A 21 7.641 -4.670 -14.585 1.00 13.24 C ATOM 0 H THR A 21 8.102 -4.803 -10.589 1.00 23.15 H new ATOM 0 HA THR A 21 6.801 -3.173 -12.407 1.00 62.15 H new ATOM 0 HB THR A 21 8.042 -5.916 -12.888 1.00 3.23 H new ATOM 0 HG1 THR A 21 9.854 -4.378 -13.585 1.00 4.42 H new ATOM 0 HG21 THR A 21 8.432 -5.105 -15.196 1.00 13.24 H new ATOM 0 HG22 THR A 21 6.697 -5.169 -14.805 1.00 13.24 H new ATOM 0 HG23 THR A 21 7.551 -3.607 -14.811 1.00 13.24 H new ATOM 299 N GLU A 22 5.427 -6.201 -12.140 1.00 44.05 N ATOM 300 CA GLU A 22 4.197 -6.970 -12.368 1.00 71.13 C ATOM 301 C GLU A 22 3.003 -6.362 -11.606 1.00 42.03 C ATOM 302 O GLU A 22 1.869 -6.383 -12.087 1.00 3.50 O ATOM 303 CB GLU A 22 4.415 -8.429 -11.951 1.00 10.44 C ATOM 304 CG GLU A 22 5.571 -9.105 -12.685 1.00 24.15 C ATOM 305 CD GLU A 22 5.788 -10.542 -12.245 1.00 44.30 C ATOM 306 OE1 GLU A 22 6.524 -10.762 -11.263 1.00 12.20 O ATOM 307 OE2 GLU A 22 5.221 -11.458 -12.877 1.00 54.43 O ATOM 0 H GLU A 22 6.162 -6.718 -11.658 1.00 44.05 H new ATOM 0 HA GLU A 22 3.960 -6.931 -13.431 1.00 71.13 H new ATOM 0 HB2 GLU A 22 4.604 -8.468 -10.878 1.00 10.44 H new ATOM 0 HB3 GLU A 22 3.500 -8.992 -12.134 1.00 10.44 H new ATOM 0 HG2 GLU A 22 5.376 -9.084 -13.757 1.00 24.15 H new ATOM 0 HG3 GLU A 22 6.485 -8.536 -12.516 1.00 24.15 H new ATOM 314 N LEU A 23 3.273 -5.809 -10.423 1.00 42.45 N ATOM 315 CA LEU A 23 2.252 -5.113 -9.626 1.00 53.54 C ATOM 316 C LEU A 23 1.611 -3.979 -10.446 1.00 45.53 C ATOM 317 O LEU A 23 0.388 -3.835 -10.479 1.00 75.14 O ATOM 318 CB LEU A 23 2.889 -4.564 -8.328 1.00 2.31 C ATOM 319 CG LEU A 23 1.921 -4.051 -7.236 1.00 41.14 C ATOM 320 CD1 LEU A 23 2.653 -3.921 -5.903 1.00 42.10 C ATOM 321 CD2 LEU A 23 1.291 -2.707 -7.615 1.00 73.41 C ATOM 0 H LEU A 23 4.196 -5.828 -9.990 1.00 42.45 H new ATOM 0 HA LEU A 23 1.465 -5.818 -9.357 1.00 53.54 H new ATOM 0 HB2 LEU A 23 3.505 -5.351 -7.893 1.00 2.31 H new ATOM 0 HB3 LEU A 23 3.559 -3.748 -8.598 1.00 2.31 H new ATOM 0 HG LEU A 23 1.117 -4.781 -7.143 1.00 41.14 H new ATOM 0 HD11 LEU A 23 1.962 -3.559 -5.142 1.00 42.10 H new ATOM 0 HD12 LEU A 23 3.043 -4.894 -5.606 1.00 42.10 H new ATOM 0 HD13 LEU A 23 3.478 -3.216 -6.008 1.00 42.10 H new ATOM 0 HD21 LEU A 23 0.618 -2.384 -6.821 1.00 73.41 H new ATOM 0 HD22 LEU A 23 2.076 -1.963 -7.751 1.00 73.41 H new ATOM 0 HD23 LEU A 23 0.730 -2.817 -8.543 1.00 73.41 H new ATOM 333 N LEU A 24 2.448 -3.190 -11.118 1.00 12.33 N ATOM 334 CA LEU A 24 1.974 -2.094 -11.976 1.00 5.24 C ATOM 335 C LEU A 24 0.996 -2.602 -13.052 1.00 40.44 C ATOM 336 O LEU A 24 0.063 -1.898 -13.445 1.00 71.24 O ATOM 337 CB LEU A 24 3.167 -1.396 -12.643 1.00 53.11 C ATOM 338 CG LEU A 24 4.206 -0.800 -11.676 1.00 14.33 C ATOM 339 CD1 LEU A 24 5.405 -0.251 -12.445 1.00 23.04 C ATOM 340 CD2 LEU A 24 3.575 0.287 -10.805 1.00 61.12 C ATOM 0 H LEU A 24 3.463 -3.286 -11.087 1.00 12.33 H new ATOM 0 HA LEU A 24 1.441 -1.382 -11.345 1.00 5.24 H new ATOM 0 HB2 LEU A 24 3.669 -2.113 -13.293 1.00 53.11 H new ATOM 0 HB3 LEU A 24 2.789 -0.597 -13.281 1.00 53.11 H new ATOM 0 HG LEU A 24 4.558 -1.597 -11.021 1.00 14.33 H new ATOM 0 HD11 LEU A 24 6.128 0.166 -11.743 1.00 23.04 H new ATOM 0 HD12 LEU A 24 5.873 -1.056 -13.012 1.00 23.04 H new ATOM 0 HD13 LEU A 24 5.072 0.530 -13.129 1.00 23.04 H new ATOM 0 HD21 LEU A 24 4.327 0.694 -10.129 1.00 61.12 H new ATOM 0 HD22 LEU A 24 3.189 1.084 -11.441 1.00 61.12 H new ATOM 0 HD23 LEU A 24 2.759 -0.141 -10.223 1.00 61.12 H new ATOM 352 N SER A 25 1.219 -3.833 -13.514 1.00 63.31 N ATOM 353 CA SER A 25 0.351 -4.460 -14.520 1.00 11.24 C ATOM 354 C SER A 25 -0.950 -4.981 -13.888 1.00 70.13 C ATOM 355 O SER A 25 -2.005 -4.977 -14.525 1.00 3.13 O ATOM 356 CB SER A 25 1.085 -5.611 -15.224 1.00 2.51 C ATOM 357 OG SER A 25 0.267 -6.211 -16.218 1.00 20.12 O ATOM 0 H SER A 25 1.995 -4.420 -13.208 1.00 63.31 H new ATOM 0 HA SER A 25 0.095 -3.697 -15.255 1.00 11.24 H new ATOM 0 HB2 SER A 25 2.001 -5.236 -15.681 1.00 2.51 H new ATOM 0 HB3 SER A 25 1.379 -6.361 -14.490 1.00 2.51 H new ATOM 0 HG SER A 25 0.759 -6.939 -16.651 1.00 20.12 H new ATOM 363 N ALA A 26 -0.872 -5.428 -12.634 1.00 13.42 N ATOM 364 CA ALA A 26 -2.056 -5.895 -11.897 1.00 52.13 C ATOM 365 C ALA A 26 -2.988 -4.728 -11.535 1.00 40.34 C ATOM 366 O ALA A 26 -4.206 -4.805 -11.718 1.00 74.22 O ATOM 367 CB ALA A 26 -1.627 -6.647 -10.640 1.00 11.11 C ATOM 0 H ALA A 26 -0.002 -5.478 -12.103 1.00 13.42 H new ATOM 0 HA ALA A 26 -2.612 -6.573 -12.544 1.00 52.13 H new ATOM 0 HB1 ALA A 26 -2.511 -6.989 -10.101 1.00 11.11 H new ATOM 0 HB2 ALA A 26 -1.018 -7.506 -10.920 1.00 11.11 H new ATOM 0 HB3 ALA A 26 -1.046 -5.984 -10.000 1.00 11.11 H new ATOM 373 N LEU A 27 -2.405 -3.651 -11.018 1.00 61.23 N ATOM 374 CA LEU A 27 -3.158 -2.432 -10.693 1.00 34.15 C ATOM 375 C LEU A 27 -3.591 -1.698 -11.971 1.00 3.00 C ATOM 376 O LEU A 27 -4.627 -1.031 -11.997 1.00 24.21 O ATOM 377 CB LEU A 27 -2.304 -1.506 -9.814 1.00 43.05 C ATOM 378 CG LEU A 27 -2.999 -0.221 -9.323 1.00 74.23 C ATOM 379 CD1 LEU A 27 -4.216 -0.555 -8.461 1.00 10.33 C ATOM 380 CD2 LEU A 27 -2.021 0.661 -8.550 1.00 3.33 C ATOM 0 H LEU A 27 -1.408 -3.592 -10.812 1.00 61.23 H new ATOM 0 HA LEU A 27 -4.055 -2.718 -10.144 1.00 34.15 H new ATOM 0 HB2 LEU A 27 -1.968 -2.070 -8.944 1.00 43.05 H new ATOM 0 HB3 LEU A 27 -1.413 -1.223 -10.375 1.00 43.05 H new ATOM 0 HG LEU A 27 -3.342 0.331 -10.198 1.00 74.23 H new ATOM 0 HD11 LEU A 27 -4.689 0.368 -8.127 1.00 10.33 H new ATOM 0 HD12 LEU A 27 -4.928 -1.136 -9.047 1.00 10.33 H new ATOM 0 HD13 LEU A 27 -3.900 -1.135 -7.594 1.00 10.33 H new ATOM 0 HD21 LEU A 27 -2.532 1.563 -8.213 1.00 3.33 H new ATOM 0 HD22 LEU A 27 -1.642 0.114 -7.687 1.00 3.33 H new ATOM 0 HD23 LEU A 27 -1.189 0.937 -9.198 1.00 3.33 H new ATOM 392 N LYS A 28 -2.776 -1.836 -13.020 1.00 70.12 N ATOM 393 CA LYS A 28 -3.060 -1.276 -14.350 1.00 54.53 C ATOM 394 C LYS A 28 -2.990 0.259 -14.371 1.00 14.33 C ATOM 395 O LYS A 28 -3.989 0.950 -14.179 1.00 1.51 O ATOM 396 CB LYS A 28 -4.420 -1.773 -14.874 1.00 4.44 C ATOM 397 CG LYS A 28 -4.518 -3.294 -14.937 1.00 31.31 C ATOM 398 CD LYS A 28 -5.827 -3.773 -15.556 1.00 51.14 C ATOM 399 CE LYS A 28 -5.890 -5.297 -15.599 1.00 55.43 C ATOM 400 NZ LYS A 28 -4.728 -5.886 -16.325 1.00 55.10 N ATOM 0 H LYS A 28 -1.892 -2.343 -12.973 1.00 70.12 H new ATOM 0 HA LYS A 28 -2.277 -1.635 -15.018 1.00 54.53 H new ATOM 0 HB2 LYS A 28 -5.212 -1.390 -14.231 1.00 4.44 H new ATOM 0 HB3 LYS A 28 -4.591 -1.362 -15.869 1.00 4.44 H new ATOM 0 HG2 LYS A 28 -3.682 -3.684 -15.517 1.00 31.31 H new ATOM 0 HG3 LYS A 28 -4.426 -3.702 -13.931 1.00 31.31 H new ATOM 0 HD2 LYS A 28 -6.668 -3.387 -14.979 1.00 51.14 H new ATOM 0 HD3 LYS A 28 -5.923 -3.373 -16.566 1.00 51.14 H new ATOM 0 HE2 LYS A 28 -5.917 -5.687 -14.582 1.00 55.43 H new ATOM 0 HE3 LYS A 28 -6.815 -5.608 -16.084 1.00 55.43 H new ATOM 0 HZ1 LYS A 28 -4.915 -6.890 -16.524 1.00 55.10 H new ATOM 0 HZ2 LYS A 28 -4.584 -5.377 -17.220 1.00 55.10 H new ATOM 0 HZ3 LYS A 28 -3.874 -5.803 -15.738 1.00 55.10 H new ATOM 414 N VAL A 29 -1.785 0.782 -14.604 1.00 73.04 N ATOM 415 CA VAL A 29 -1.560 2.227 -14.711 1.00 64.33 C ATOM 416 C VAL A 29 -0.577 2.548 -15.853 1.00 63.53 C ATOM 417 O VAL A 29 0.316 1.753 -16.160 1.00 41.32 O ATOM 418 CB VAL A 29 -1.017 2.810 -13.378 1.00 22.41 C ATOM 419 CG1 VAL A 29 0.324 2.174 -13.002 1.00 33.10 C ATOM 420 CG2 VAL A 29 -0.899 4.333 -13.458 1.00 23.02 C ATOM 0 H VAL A 29 -0.942 0.221 -14.723 1.00 73.04 H new ATOM 0 HA VAL A 29 -2.522 2.690 -14.930 1.00 64.33 H new ATOM 0 HB VAL A 29 -1.731 2.568 -12.591 1.00 22.41 H new ATOM 0 HG11 VAL A 29 0.679 2.602 -12.065 1.00 33.10 H new ATOM 0 HG12 VAL A 29 0.196 1.098 -12.884 1.00 33.10 H new ATOM 0 HG13 VAL A 29 1.053 2.369 -13.789 1.00 33.10 H new ATOM 0 HG21 VAL A 29 -0.517 4.718 -12.513 1.00 23.02 H new ATOM 0 HG22 VAL A 29 -0.216 4.603 -14.263 1.00 23.02 H new ATOM 0 HG23 VAL A 29 -1.880 4.764 -13.655 1.00 23.02 H new ATOM 430 N ALA A 30 -0.754 3.707 -16.483 1.00 51.44 N ATOM 431 CA ALA A 30 0.118 4.140 -17.582 1.00 64.41 C ATOM 432 C ALA A 30 1.431 4.755 -17.064 1.00 62.41 C ATOM 433 O ALA A 30 1.594 4.978 -15.864 1.00 24.33 O ATOM 434 CB ALA A 30 -0.625 5.134 -18.470 1.00 63.20 C ATOM 0 H ALA A 30 -1.496 4.368 -16.253 1.00 51.44 H new ATOM 0 HA ALA A 30 0.383 3.260 -18.168 1.00 64.41 H new ATOM 0 HB1 ALA A 30 0.026 5.452 -19.284 1.00 63.20 H new ATOM 0 HB2 ALA A 30 -1.515 4.659 -18.882 1.00 63.20 H new ATOM 0 HB3 ALA A 30 -0.918 6.002 -17.879 1.00 63.20 H new ATOM 440 N GLN A 31 2.362 5.024 -17.985 1.00 32.33 N ATOM 441 CA GLN A 31 3.672 5.611 -17.641 1.00 31.25 C ATOM 442 C GLN A 31 4.433 4.747 -16.620 1.00 13.54 C ATOM 443 O GLN A 31 5.120 5.263 -15.738 1.00 34.15 O ATOM 444 CB GLN A 31 3.495 7.042 -17.101 1.00 71.52 C ATOM 445 CG GLN A 31 2.670 7.943 -18.011 1.00 51.12 C ATOM 446 CD GLN A 31 2.569 9.365 -17.493 1.00 45.04 C ATOM 447 OE1 GLN A 31 3.371 10.226 -17.840 1.00 65.41 O ATOM 448 NE2 GLN A 31 1.585 9.627 -16.660 1.00 51.53 N ATOM 0 H GLN A 31 2.236 4.845 -18.981 1.00 32.33 H new ATOM 0 HA GLN A 31 4.266 5.646 -18.554 1.00 31.25 H new ATOM 0 HB2 GLN A 31 3.018 6.995 -16.122 1.00 71.52 H new ATOM 0 HB3 GLN A 31 4.478 7.490 -16.955 1.00 71.52 H new ATOM 0 HG2 GLN A 31 3.116 7.954 -19.006 1.00 51.12 H new ATOM 0 HG3 GLN A 31 1.668 7.527 -18.116 1.00 51.12 H new ATOM 0 HE21 GLN A 31 0.934 8.889 -16.391 1.00 51.53 H new ATOM 0 HE22 GLN A 31 1.473 10.568 -16.283 1.00 51.53 H new ATOM 457 N ALA A 32 4.340 3.427 -16.781 1.00 34.32 N ATOM 458 CA ALA A 32 4.965 2.474 -15.851 1.00 3.42 C ATOM 459 C ALA A 32 6.491 2.664 -15.771 1.00 31.43 C ATOM 460 O ALA A 32 7.097 2.470 -14.717 1.00 33.11 O ATOM 461 CB ALA A 32 4.628 1.044 -16.262 1.00 42.14 C ATOM 0 H ALA A 32 3.835 2.987 -17.551 1.00 34.32 H new ATOM 0 HA ALA A 32 4.561 2.668 -14.857 1.00 3.42 H new ATOM 0 HB1 ALA A 32 5.095 0.346 -15.567 1.00 42.14 H new ATOM 0 HB2 ALA A 32 3.547 0.905 -16.244 1.00 42.14 H new ATOM 0 HB3 ALA A 32 5.001 0.858 -17.269 1.00 42.14 H new ATOM 467 N GLU A 33 7.101 3.057 -16.888 1.00 1.23 N ATOM 468 CA GLU A 33 8.549 3.315 -16.938 1.00 24.34 C ATOM 469 C GLU A 33 8.940 4.562 -16.127 1.00 31.12 C ATOM 470 O GLU A 33 10.119 4.800 -15.868 1.00 55.41 O ATOM 471 CB GLU A 33 8.999 3.507 -18.396 1.00 13.01 C ATOM 472 CG GLU A 33 8.702 2.322 -19.311 1.00 41.04 C ATOM 473 CD GLU A 33 9.478 1.068 -18.934 1.00 41.22 C ATOM 474 OE1 GLU A 33 10.704 1.026 -19.175 1.00 74.25 O ATOM 475 OE2 GLU A 33 8.864 0.117 -18.403 1.00 3.30 O ATOM 0 H GLU A 33 6.619 3.205 -17.775 1.00 1.23 H new ATOM 0 HA GLU A 33 9.046 2.450 -16.498 1.00 24.34 H new ATOM 0 HB2 GLU A 33 8.510 4.393 -18.800 1.00 13.01 H new ATOM 0 HB3 GLU A 33 10.072 3.700 -18.410 1.00 13.01 H new ATOM 0 HG2 GLU A 33 7.634 2.105 -19.279 1.00 41.04 H new ATOM 0 HG3 GLU A 33 8.941 2.595 -20.339 1.00 41.04 H new ATOM 482 N TYR A 34 7.947 5.366 -15.744 1.00 13.11 N ATOM 483 CA TYR A 34 8.204 6.665 -15.103 1.00 10.05 C ATOM 484 C TYR A 34 7.430 6.833 -13.785 1.00 13.24 C ATOM 485 O TYR A 34 7.472 7.900 -13.167 1.00 14.33 O ATOM 486 CB TYR A 34 7.818 7.796 -16.066 1.00 63.42 C ATOM 487 CG TYR A 34 8.323 7.582 -17.480 1.00 52.22 C ATOM 488 CD1 TYR A 34 9.629 7.908 -17.836 1.00 34.40 C ATOM 489 CD2 TYR A 34 7.496 7.028 -18.454 1.00 24.24 C ATOM 490 CE1 TYR A 34 10.091 7.694 -19.120 1.00 30.33 C ATOM 491 CE2 TYR A 34 7.954 6.807 -19.735 1.00 64.20 C ATOM 492 CZ TYR A 34 9.252 7.141 -20.063 1.00 34.11 C ATOM 493 OH TYR A 34 9.717 6.912 -21.338 1.00 41.21 O ATOM 0 H TYR A 34 6.958 5.145 -15.864 1.00 13.11 H new ATOM 0 HA TYR A 34 9.267 6.707 -14.867 1.00 10.05 H new ATOM 0 HB2 TYR A 34 6.732 7.891 -16.086 1.00 63.42 H new ATOM 0 HB3 TYR A 34 8.213 8.738 -15.686 1.00 63.42 H new ATOM 0 HD1 TYR A 34 10.291 8.335 -17.097 1.00 34.40 H new ATOM 0 HD2 TYR A 34 6.479 6.767 -18.201 1.00 24.24 H new ATOM 0 HE1 TYR A 34 11.104 7.959 -19.383 1.00 30.33 H new ATOM 0 HE2 TYR A 34 7.300 6.375 -20.478 1.00 64.20 H new ATOM 0 HH TYR A 34 9.003 6.517 -21.881 1.00 41.21 H new ATOM 503 N VAL A 35 6.732 5.786 -13.357 1.00 73.20 N ATOM 504 CA VAL A 35 5.889 5.860 -12.157 1.00 52.43 C ATOM 505 C VAL A 35 6.722 5.954 -10.859 1.00 2.02 C ATOM 506 O VAL A 35 7.674 5.199 -10.647 1.00 3.13 O ATOM 507 CB VAL A 35 4.917 4.650 -12.072 1.00 1.44 C ATOM 508 CG1 VAL A 35 5.679 3.333 -11.935 1.00 1.13 C ATOM 509 CG2 VAL A 35 3.923 4.830 -10.927 1.00 52.33 C ATOM 0 H VAL A 35 6.730 4.876 -13.818 1.00 73.20 H new ATOM 0 HA VAL A 35 5.307 6.777 -12.250 1.00 52.43 H new ATOM 0 HB VAL A 35 4.355 4.609 -13.005 1.00 1.44 H new ATOM 0 HG11 VAL A 35 4.970 2.507 -11.878 1.00 1.13 H new ATOM 0 HG12 VAL A 35 6.327 3.196 -12.800 1.00 1.13 H new ATOM 0 HG13 VAL A 35 6.284 3.355 -11.029 1.00 1.13 H new ATOM 0 HG21 VAL A 35 3.254 3.971 -10.888 1.00 52.33 H new ATOM 0 HG22 VAL A 35 4.464 4.911 -9.985 1.00 52.33 H new ATOM 0 HG23 VAL A 35 3.340 5.737 -11.090 1.00 52.33 H new ATOM 519 N THR A 36 6.356 6.900 -9.994 1.00 63.55 N ATOM 520 CA THR A 36 7.038 7.094 -8.707 1.00 13.01 C ATOM 521 C THR A 36 6.312 6.354 -7.577 1.00 64.32 C ATOM 522 O THR A 36 5.307 6.834 -7.054 1.00 73.24 O ATOM 523 CB THR A 36 7.144 8.595 -8.337 1.00 60.33 C ATOM 524 OG1 THR A 36 7.784 9.318 -9.401 1.00 61.55 O ATOM 525 CG2 THR A 36 7.937 8.793 -7.047 1.00 50.00 C ATOM 0 H THR A 36 5.587 7.549 -10.160 1.00 63.55 H new ATOM 0 HA THR A 36 8.042 6.685 -8.822 1.00 13.01 H new ATOM 0 HB THR A 36 6.133 8.974 -8.185 1.00 60.33 H new ATOM 0 HG1 THR A 36 7.846 10.266 -9.161 1.00 61.55 H new ATOM 0 HG21 THR A 36 7.994 9.856 -6.814 1.00 50.00 H new ATOM 0 HG22 THR A 36 7.440 8.269 -6.231 1.00 50.00 H new ATOM 0 HG23 THR A 36 8.944 8.395 -7.174 1.00 50.00 H new ATOM 533 N VAL A 37 6.810 5.172 -7.220 1.00 4.25 N ATOM 534 CA VAL A 37 6.221 4.379 -6.131 1.00 1.22 C ATOM 535 C VAL A 37 7.286 3.847 -5.164 1.00 25.41 C ATOM 536 O VAL A 37 8.479 3.825 -5.475 1.00 45.53 O ATOM 537 CB VAL A 37 5.396 3.180 -6.670 1.00 1.44 C ATOM 538 CG1 VAL A 37 4.182 3.666 -7.455 1.00 75.35 C ATOM 539 CG2 VAL A 37 6.269 2.259 -7.527 1.00 72.15 C ATOM 0 H VAL A 37 7.619 4.738 -7.665 1.00 4.25 H new ATOM 0 HA VAL A 37 5.560 5.060 -5.594 1.00 1.22 H new ATOM 0 HB VAL A 37 5.037 2.605 -5.816 1.00 1.44 H new ATOM 0 HG11 VAL A 37 3.619 2.808 -7.823 1.00 75.35 H new ATOM 0 HG12 VAL A 37 3.545 4.266 -6.805 1.00 75.35 H new ATOM 0 HG13 VAL A 37 4.513 4.272 -8.299 1.00 75.35 H new ATOM 0 HG21 VAL A 37 5.669 1.426 -7.893 1.00 72.15 H new ATOM 0 HG22 VAL A 37 6.667 2.819 -8.373 1.00 72.15 H new ATOM 0 HG23 VAL A 37 7.093 1.875 -6.925 1.00 72.15 H new ATOM 549 N GLU A 38 6.842 3.423 -3.984 1.00 62.00 N ATOM 550 CA GLU A 38 7.735 2.826 -2.989 1.00 54.43 C ATOM 551 C GLU A 38 6.968 1.903 -2.035 1.00 33.12 C ATOM 552 O GLU A 38 5.764 2.060 -1.838 1.00 32.44 O ATOM 553 CB GLU A 38 8.466 3.924 -2.201 1.00 10.45 C ATOM 554 CG GLU A 38 7.557 4.878 -1.431 1.00 53.33 C ATOM 555 CD GLU A 38 8.335 5.988 -0.740 1.00 20.53 C ATOM 556 OE1 GLU A 38 8.777 6.929 -1.433 1.00 24.42 O ATOM 557 OE2 GLU A 38 8.508 5.933 0.494 1.00 31.12 O ATOM 0 H GLU A 38 5.867 3.481 -3.691 1.00 62.00 H new ATOM 0 HA GLU A 38 8.472 2.222 -3.518 1.00 54.43 H new ATOM 0 HB2 GLU A 38 9.151 3.451 -1.497 1.00 10.45 H new ATOM 0 HB3 GLU A 38 9.073 4.505 -2.895 1.00 10.45 H new ATOM 0 HG2 GLU A 38 6.832 5.318 -2.116 1.00 53.33 H new ATOM 0 HG3 GLU A 38 6.992 4.316 -0.687 1.00 53.33 H new ATOM 564 N LEU A 39 7.670 0.934 -1.453 1.00 11.30 N ATOM 565 CA LEU A 39 7.053 -0.003 -0.507 1.00 34.44 C ATOM 566 C LEU A 39 7.774 0.017 0.847 1.00 31.43 C ATOM 567 O LEU A 39 9.001 0.100 0.905 1.00 4.35 O ATOM 568 CB LEU A 39 7.000 -1.426 -1.106 1.00 24.03 C ATOM 569 CG LEU A 39 8.312 -1.977 -1.711 1.00 14.44 C ATOM 570 CD1 LEU A 39 9.273 -2.470 -0.627 1.00 24.54 C ATOM 571 CD2 LEU A 39 8.011 -3.097 -2.706 1.00 44.43 C ATOM 0 H LEU A 39 8.664 0.774 -1.617 1.00 11.30 H new ATOM 0 HA LEU A 39 6.028 0.320 -0.328 1.00 34.44 H new ATOM 0 HB2 LEU A 39 6.672 -2.112 -0.325 1.00 24.03 H new ATOM 0 HB3 LEU A 39 6.236 -1.439 -1.883 1.00 24.03 H new ATOM 0 HG LEU A 39 8.802 -1.157 -2.237 1.00 14.44 H new ATOM 0 HD11 LEU A 39 10.183 -2.849 -1.092 1.00 24.54 H new ATOM 0 HD12 LEU A 39 9.523 -1.645 0.040 1.00 24.54 H new ATOM 0 HD13 LEU A 39 8.798 -3.267 -0.055 1.00 24.54 H new ATOM 0 HD21 LEU A 39 8.945 -3.474 -3.123 1.00 44.43 H new ATOM 0 HD22 LEU A 39 7.488 -3.906 -2.196 1.00 44.43 H new ATOM 0 HD23 LEU A 39 7.385 -2.711 -3.510 1.00 44.43 H new ATOM 583 N ASN A 40 6.997 -0.009 1.933 1.00 11.50 N ATOM 584 CA ASN A 40 7.546 -0.025 3.298 1.00 21.11 C ATOM 585 C ASN A 40 8.429 1.211 3.582 1.00 71.03 C ATOM 586 O ASN A 40 9.188 1.234 4.552 1.00 1.14 O ATOM 587 CB ASN A 40 8.349 -1.316 3.523 1.00 11.32 C ATOM 588 CG ASN A 40 7.536 -2.568 3.227 1.00 33.03 C ATOM 589 OD1 ASN A 40 6.322 -2.597 3.408 1.00 15.13 O ATOM 590 ND2 ASN A 40 8.199 -3.607 2.764 1.00 31.52 N ATOM 0 H ASN A 40 5.978 -0.020 1.896 1.00 11.50 H new ATOM 0 HA ASN A 40 6.707 0.009 3.993 1.00 21.11 H new ATOM 0 HB2 ASN A 40 9.235 -1.304 2.888 1.00 11.32 H new ATOM 0 HB3 ASN A 40 8.697 -1.348 4.556 1.00 11.32 H new ATOM 0 HD21 ASN A 40 7.704 -4.471 2.544 1.00 31.52 H new ATOM 0 HD22 ASN A 40 9.208 -3.548 2.626 1.00 31.52 H new ATOM 597 N GLY A 41 8.310 2.239 2.739 1.00 14.12 N ATOM 598 CA GLY A 41 9.110 3.452 2.901 1.00 30.13 C ATOM 599 C GLY A 41 10.421 3.437 2.114 1.00 53.11 C ATOM 600 O GLY A 41 11.313 4.249 2.369 1.00 55.34 O ATOM 0 H GLY A 41 7.672 2.255 1.943 1.00 14.12 H new ATOM 0 HA2 GLY A 41 8.518 4.311 2.586 1.00 30.13 H new ATOM 0 HA3 GLY A 41 9.334 3.590 3.959 1.00 30.13 H new ATOM 604 N GLU A 42 10.546 2.519 1.155 1.00 45.11 N ATOM 605 CA GLU A 42 11.756 2.423 0.319 1.00 65.21 C ATOM 606 C GLU A 42 11.418 2.567 -1.175 1.00 43.04 C ATOM 607 O GLU A 42 10.668 1.761 -1.729 1.00 24.13 O ATOM 608 CB GLU A 42 12.463 1.082 0.561 1.00 73.01 C ATOM 609 CG GLU A 42 13.768 0.929 -0.218 1.00 60.33 C ATOM 610 CD GLU A 42 14.397 -0.448 -0.055 1.00 20.52 C ATOM 611 OE1 GLU A 42 15.002 -0.712 1.003 1.00 54.23 O ATOM 612 OE2 GLU A 42 14.289 -1.274 -0.982 1.00 3.43 O ATOM 0 H GLU A 42 9.828 1.829 0.933 1.00 45.11 H new ATOM 0 HA GLU A 42 12.420 3.241 0.601 1.00 65.21 H new ATOM 0 HB2 GLU A 42 12.671 0.977 1.626 1.00 73.01 H new ATOM 0 HB3 GLU A 42 11.789 0.271 0.287 1.00 73.01 H new ATOM 0 HG2 GLU A 42 13.578 1.113 -1.275 1.00 60.33 H new ATOM 0 HG3 GLU A 42 14.476 1.688 0.116 1.00 60.33 H new ATOM 619 N VAL A 43 11.965 3.604 -1.819 1.00 0.51 N ATOM 620 CA VAL A 43 11.750 3.835 -3.258 1.00 1.41 C ATOM 621 C VAL A 43 12.705 2.988 -4.127 1.00 43.33 C ATOM 622 O VAL A 43 13.907 2.903 -3.857 1.00 42.13 O ATOM 623 CB VAL A 43 11.903 5.341 -3.613 1.00 72.45 C ATOM 624 CG1 VAL A 43 13.266 5.875 -3.178 1.00 54.42 C ATOM 625 CG2 VAL A 43 11.667 5.579 -5.108 1.00 54.43 C ATOM 0 H VAL A 43 12.561 4.299 -1.369 1.00 0.51 H new ATOM 0 HA VAL A 43 10.729 3.523 -3.478 1.00 1.41 H new ATOM 0 HB VAL A 43 11.141 5.893 -3.062 1.00 72.45 H new ATOM 0 HG11 VAL A 43 13.344 6.930 -3.439 1.00 54.42 H new ATOM 0 HG12 VAL A 43 13.375 5.759 -2.100 1.00 54.42 H new ATOM 0 HG13 VAL A 43 14.054 5.317 -3.684 1.00 54.42 H new ATOM 0 HG21 VAL A 43 11.780 6.640 -5.330 1.00 54.43 H new ATOM 0 HG22 VAL A 43 12.393 5.008 -5.686 1.00 54.43 H new ATOM 0 HG23 VAL A 43 10.660 5.258 -5.373 1.00 54.43 H new ATOM 635 N LEU A 44 12.160 2.368 -5.178 1.00 33.02 N ATOM 636 CA LEU A 44 12.937 1.452 -6.027 1.00 22.01 C ATOM 637 C LEU A 44 13.206 2.044 -7.423 1.00 50.11 C ATOM 638 O LEU A 44 12.422 2.843 -7.938 1.00 60.43 O ATOM 639 CB LEU A 44 12.199 0.106 -6.197 1.00 13.30 C ATOM 640 CG LEU A 44 11.854 -0.668 -4.910 1.00 33.20 C ATOM 641 CD1 LEU A 44 13.069 -0.770 -3.992 1.00 54.45 C ATOM 642 CD2 LEU A 44 10.665 -0.039 -4.186 1.00 43.34 C ATOM 0 H LEU A 44 11.187 2.481 -5.463 1.00 33.02 H new ATOM 0 HA LEU A 44 13.891 1.296 -5.523 1.00 22.01 H new ATOM 0 HB2 LEU A 44 11.272 0.294 -6.739 1.00 13.30 H new ATOM 0 HB3 LEU A 44 12.811 -0.539 -6.827 1.00 13.30 H new ATOM 0 HG LEU A 44 11.566 -1.679 -5.197 1.00 33.20 H new ATOM 0 HD11 LEU A 44 12.799 -1.321 -3.091 1.00 54.45 H new ATOM 0 HD12 LEU A 44 13.873 -1.293 -4.510 1.00 54.45 H new ATOM 0 HD13 LEU A 44 13.404 0.231 -3.719 1.00 54.45 H new ATOM 0 HD21 LEU A 44 10.447 -0.608 -3.282 1.00 43.34 H new ATOM 0 HD22 LEU A 44 10.905 0.990 -3.918 1.00 43.34 H new ATOM 0 HD23 LEU A 44 9.794 -0.049 -4.841 1.00 43.34 H new ATOM 654 N GLU A 45 14.327 1.644 -8.025 1.00 11.35 N ATOM 655 CA GLU A 45 14.619 1.959 -9.431 1.00 64.53 C ATOM 656 C GLU A 45 13.676 1.187 -10.370 1.00 21.33 C ATOM 657 O GLU A 45 13.076 0.189 -9.968 1.00 71.21 O ATOM 658 CB GLU A 45 16.073 1.602 -9.775 1.00 44.02 C ATOM 659 CG GLU A 45 17.128 2.512 -9.145 1.00 3.31 C ATOM 660 CD GLU A 45 17.093 2.538 -7.625 1.00 71.33 C ATOM 661 OE1 GLU A 45 17.001 1.457 -7.003 1.00 63.21 O ATOM 662 OE2 GLU A 45 17.184 3.640 -7.045 1.00 72.43 O ATOM 0 H GLU A 45 15.053 1.098 -7.561 1.00 11.35 H new ATOM 0 HA GLU A 45 14.467 3.029 -9.569 1.00 64.53 H new ATOM 0 HB2 GLU A 45 16.264 0.576 -9.459 1.00 44.02 H new ATOM 0 HB3 GLU A 45 16.191 1.629 -10.858 1.00 44.02 H new ATOM 0 HG2 GLU A 45 18.116 2.185 -9.470 1.00 3.31 H new ATOM 0 HG3 GLU A 45 16.989 3.526 -9.519 1.00 3.31 H new ATOM 669 N ARG A 46 13.566 1.628 -11.625 1.00 11.32 N ATOM 670 CA ARG A 46 12.716 0.935 -12.602 1.00 3.41 C ATOM 671 C ARG A 46 13.127 -0.542 -12.754 1.00 11.12 C ATOM 672 O ARG A 46 12.276 -1.421 -12.882 1.00 12.43 O ATOM 673 CB ARG A 46 12.742 1.636 -13.973 1.00 41.20 C ATOM 674 CG ARG A 46 11.872 2.898 -14.074 1.00 62.41 C ATOM 675 CD ARG A 46 12.514 4.132 -13.438 1.00 50.54 C ATOM 676 NE ARG A 46 12.384 4.172 -11.981 1.00 31.22 N ATOM 677 CZ ARG A 46 13.284 4.679 -11.178 1.00 5.13 C ATOM 678 NH1 ARG A 46 14.422 5.092 -11.641 1.00 43.14 N ATOM 679 NH2 ARG A 46 13.045 4.758 -9.909 1.00 52.14 N ATOM 0 H ARG A 46 14.047 2.451 -11.988 1.00 11.32 H new ATOM 0 HA ARG A 46 11.696 0.972 -12.219 1.00 3.41 H new ATOM 0 HB2 ARG A 46 13.772 1.904 -14.208 1.00 41.20 H new ATOM 0 HB3 ARG A 46 12.416 0.926 -14.733 1.00 41.20 H new ATOM 0 HG2 ARG A 46 11.666 3.105 -15.124 1.00 62.41 H new ATOM 0 HG3 ARG A 46 10.913 2.708 -13.593 1.00 62.41 H new ATOM 0 HD2 ARG A 46 13.571 4.158 -13.701 1.00 50.54 H new ATOM 0 HD3 ARG A 46 12.058 5.027 -13.860 1.00 50.54 H new ATOM 0 HE ARG A 46 11.539 3.780 -11.565 1.00 31.22 H new ATOM 0 HH11 ARG A 46 14.622 5.023 -12.639 1.00 43.14 H new ATOM 0 HH12 ARG A 46 15.118 5.486 -11.008 1.00 43.14 H new ATOM 0 HH21 ARG A 46 12.156 4.425 -9.536 1.00 52.14 H new ATOM 0 HH22 ARG A 46 13.746 5.153 -9.282 1.00 52.14 H new ATOM 693 N GLU A 47 14.434 -0.810 -12.745 1.00 54.31 N ATOM 694 CA GLU A 47 14.941 -2.190 -12.774 1.00 12.02 C ATOM 695 C GLU A 47 14.711 -2.891 -11.425 1.00 65.34 C ATOM 696 O GLU A 47 14.410 -4.085 -11.370 1.00 41.34 O ATOM 697 CB GLU A 47 16.435 -2.215 -13.138 1.00 63.34 C ATOM 698 CG GLU A 47 17.334 -1.464 -12.156 1.00 43.12 C ATOM 699 CD GLU A 47 18.807 -1.549 -12.529 1.00 54.41 C ATOM 700 OE1 GLU A 47 19.198 -0.957 -13.554 1.00 73.31 O ATOM 701 OE2 GLU A 47 19.580 -2.218 -11.807 1.00 43.01 O ATOM 0 H GLU A 47 15.161 -0.095 -12.718 1.00 54.31 H new ATOM 0 HA GLU A 47 14.387 -2.731 -13.541 1.00 12.02 H new ATOM 0 HB2 GLU A 47 16.766 -3.252 -13.195 1.00 63.34 H new ATOM 0 HB3 GLU A 47 16.562 -1.785 -14.131 1.00 63.34 H new ATOM 0 HG2 GLU A 47 17.032 -0.417 -12.120 1.00 43.12 H new ATOM 0 HG3 GLU A 47 17.192 -1.871 -11.155 1.00 43.12 H new ATOM 708 N ALA A 48 14.835 -2.132 -10.335 1.00 54.11 N ATOM 709 CA ALA A 48 14.606 -2.664 -8.991 1.00 23.41 C ATOM 710 C ALA A 48 13.144 -3.094 -8.801 1.00 74.31 C ATOM 711 O ALA A 48 12.840 -3.911 -7.933 1.00 40.05 O ATOM 712 CB ALA A 48 15.004 -1.634 -7.938 1.00 22.12 C ATOM 0 H ALA A 48 15.093 -1.145 -10.357 1.00 54.11 H new ATOM 0 HA ALA A 48 15.230 -3.549 -8.869 1.00 23.41 H new ATOM 0 HB1 ALA A 48 14.828 -2.044 -6.943 1.00 22.12 H new ATOM 0 HB2 ALA A 48 16.061 -1.390 -8.048 1.00 22.12 H new ATOM 0 HB3 ALA A 48 14.408 -0.731 -8.069 1.00 22.12 H new ATOM 718 N PHE A 49 12.245 -2.535 -9.613 1.00 41.10 N ATOM 719 CA PHE A 49 10.838 -2.953 -9.608 1.00 5.14 C ATOM 720 C PHE A 49 10.694 -4.458 -9.898 1.00 30.43 C ATOM 721 O PHE A 49 9.862 -5.136 -9.296 1.00 72.24 O ATOM 722 CB PHE A 49 10.020 -2.152 -10.634 1.00 71.24 C ATOM 723 CG PHE A 49 9.805 -0.698 -10.279 1.00 13.42 C ATOM 724 CD1 PHE A 49 9.865 -0.261 -8.961 1.00 74.33 C ATOM 725 CD2 PHE A 49 9.519 0.231 -11.270 1.00 64.21 C ATOM 726 CE1 PHE A 49 9.647 1.069 -8.645 1.00 71.45 C ATOM 727 CE2 PHE A 49 9.304 1.560 -10.958 1.00 72.01 C ATOM 728 CZ PHE A 49 9.367 1.978 -9.645 1.00 72.00 C ATOM 0 H PHE A 49 12.463 -1.795 -10.280 1.00 41.10 H new ATOM 0 HA PHE A 49 10.451 -2.753 -8.609 1.00 5.14 H new ATOM 0 HB2 PHE A 49 10.523 -2.205 -11.600 1.00 71.24 H new ATOM 0 HB3 PHE A 49 9.048 -2.629 -10.755 1.00 71.24 H new ATOM 0 HD1 PHE A 49 10.084 -0.967 -8.174 1.00 74.33 H new ATOM 0 HD2 PHE A 49 9.464 -0.090 -12.300 1.00 64.21 H new ATOM 0 HE1 PHE A 49 9.696 1.395 -7.617 1.00 71.45 H new ATOM 0 HE2 PHE A 49 9.087 2.271 -11.742 1.00 72.01 H new ATOM 0 HZ PHE A 49 9.197 3.016 -9.400 1.00 72.00 H new ATOM 738 N ASP A 50 11.504 -4.975 -10.820 1.00 42.32 N ATOM 739 CA ASP A 50 11.486 -6.406 -11.140 1.00 60.22 C ATOM 740 C ASP A 50 12.349 -7.200 -10.144 1.00 11.53 C ATOM 741 O ASP A 50 12.020 -8.324 -9.770 1.00 2.32 O ATOM 742 CB ASP A 50 11.969 -6.637 -12.574 1.00 1.14 C ATOM 743 CG ASP A 50 11.739 -8.066 -13.037 1.00 42.43 C ATOM 744 OD1 ASP A 50 10.579 -8.408 -13.353 1.00 73.13 O ATOM 745 OD2 ASP A 50 12.713 -8.849 -13.096 1.00 70.31 O ATOM 0 H ASP A 50 12.178 -4.430 -11.357 1.00 42.32 H new ATOM 0 HA ASP A 50 10.459 -6.763 -11.058 1.00 60.22 H new ATOM 0 HB2 ASP A 50 11.450 -5.952 -13.245 1.00 1.14 H new ATOM 0 HB3 ASP A 50 13.032 -6.403 -12.639 1.00 1.14 H new ATOM 750 N ALA A 51 13.450 -6.596 -9.708 1.00 5.03 N ATOM 751 CA ALA A 51 14.337 -7.221 -8.719 1.00 1.20 C ATOM 752 C ALA A 51 13.649 -7.394 -7.351 1.00 5.13 C ATOM 753 O ALA A 51 14.032 -8.253 -6.555 1.00 52.01 O ATOM 754 CB ALA A 51 15.613 -6.399 -8.568 1.00 74.01 C ATOM 0 H ALA A 51 13.754 -5.674 -10.021 1.00 5.03 H new ATOM 0 HA ALA A 51 14.587 -8.217 -9.085 1.00 1.20 H new ATOM 0 HB1 ALA A 51 16.265 -6.870 -7.832 1.00 74.01 H new ATOM 0 HB2 ALA A 51 16.127 -6.346 -9.527 1.00 74.01 H new ATOM 0 HB3 ALA A 51 15.360 -5.392 -8.236 1.00 74.01 H new ATOM 760 N THR A 52 12.627 -6.580 -7.085 1.00 64.22 N ATOM 761 CA THR A 52 11.912 -6.619 -5.799 1.00 21.20 C ATOM 762 C THR A 52 10.554 -7.320 -5.930 1.00 34.41 C ATOM 763 O THR A 52 9.660 -6.837 -6.625 1.00 41.15 O ATOM 764 CB THR A 52 11.684 -5.195 -5.237 1.00 32.34 C ATOM 765 OG1 THR A 52 12.934 -4.494 -5.157 1.00 32.12 O ATOM 766 CG2 THR A 52 11.039 -5.240 -3.853 1.00 31.31 C ATOM 0 H THR A 52 12.272 -5.884 -7.740 1.00 64.22 H new ATOM 0 HA THR A 52 12.542 -7.183 -5.112 1.00 21.20 H new ATOM 0 HB THR A 52 11.009 -4.673 -5.915 1.00 32.34 H new ATOM 0 HG1 THR A 52 13.168 -4.140 -6.040 1.00 32.12 H new ATOM 0 HG21 THR A 52 10.892 -4.224 -3.487 1.00 31.31 H new ATOM 0 HG22 THR A 52 10.075 -5.745 -3.917 1.00 31.31 H new ATOM 0 HG23 THR A 52 11.688 -5.783 -3.166 1.00 31.31 H new ATOM 774 N THR A 53 10.402 -8.455 -5.246 1.00 4.13 N ATOM 775 CA THR A 53 9.159 -9.237 -5.304 1.00 12.41 C ATOM 776 C THR A 53 8.208 -8.885 -4.147 1.00 12.15 C ATOM 777 O THR A 53 8.472 -9.201 -2.982 1.00 23.44 O ATOM 778 CB THR A 53 9.445 -10.759 -5.285 1.00 14.15 C ATOM 779 OG1 THR A 53 10.276 -11.116 -6.406 1.00 41.12 O ATOM 780 CG2 THR A 53 8.150 -11.569 -5.337 1.00 24.33 C ATOM 0 H THR A 53 11.122 -8.856 -4.645 1.00 4.13 H new ATOM 0 HA THR A 53 8.676 -8.977 -6.246 1.00 12.41 H new ATOM 0 HB THR A 53 9.960 -10.991 -4.352 1.00 14.15 H new ATOM 0 HG1 THR A 53 9.897 -10.739 -7.227 1.00 41.12 H new ATOM 0 HG21 THR A 53 8.386 -12.633 -5.322 1.00 24.33 H new ATOM 0 HG22 THR A 53 7.532 -11.322 -4.474 1.00 24.33 H new ATOM 0 HG23 THR A 53 7.608 -11.330 -6.252 1.00 24.33 H new ATOM 788 N VAL A 54 7.104 -8.229 -4.483 1.00 33.52 N ATOM 789 CA VAL A 54 6.089 -7.838 -3.498 1.00 14.10 C ATOM 790 C VAL A 54 5.308 -9.062 -2.986 1.00 13.41 C ATOM 791 O VAL A 54 5.012 -9.990 -3.745 1.00 33.34 O ATOM 792 CB VAL A 54 5.096 -6.816 -4.105 1.00 0.21 C ATOM 793 CG1 VAL A 54 4.096 -6.329 -3.058 1.00 64.13 C ATOM 794 CG2 VAL A 54 5.846 -5.641 -4.730 1.00 65.10 C ATOM 0 H VAL A 54 6.883 -7.952 -5.439 1.00 33.52 H new ATOM 0 HA VAL A 54 6.613 -7.377 -2.660 1.00 14.10 H new ATOM 0 HB VAL A 54 4.534 -7.320 -4.891 1.00 0.21 H new ATOM 0 HG11 VAL A 54 3.412 -5.613 -3.513 1.00 64.13 H new ATOM 0 HG12 VAL A 54 3.530 -7.177 -2.673 1.00 64.13 H new ATOM 0 HG13 VAL A 54 4.632 -5.849 -2.239 1.00 64.13 H new ATOM 0 HG21 VAL A 54 5.130 -4.935 -5.151 1.00 65.10 H new ATOM 0 HG22 VAL A 54 6.442 -5.142 -3.966 1.00 65.10 H new ATOM 0 HG23 VAL A 54 6.502 -6.007 -5.520 1.00 65.10 H new ATOM 804 N LYS A 55 4.972 -9.055 -1.697 1.00 61.35 N ATOM 805 CA LYS A 55 4.309 -10.199 -1.056 1.00 72.34 C ATOM 806 C LYS A 55 3.064 -9.771 -0.265 1.00 30.34 C ATOM 807 O LYS A 55 2.587 -8.647 -0.390 1.00 4.24 O ATOM 808 CB LYS A 55 5.314 -10.912 -0.141 1.00 10.12 C ATOM 809 CG LYS A 55 6.461 -11.582 -0.896 1.00 1.32 C ATOM 810 CD LYS A 55 7.605 -11.973 0.035 1.00 4.33 C ATOM 811 CE LYS A 55 8.324 -10.747 0.594 1.00 53.33 C ATOM 812 NZ LYS A 55 8.997 -9.958 -0.476 1.00 54.50 N ATOM 0 H LYS A 55 5.147 -8.269 -1.071 1.00 61.35 H new ATOM 0 HA LYS A 55 3.968 -10.882 -1.834 1.00 72.34 H new ATOM 0 HB2 LYS A 55 5.727 -10.190 0.564 1.00 10.12 H new ATOM 0 HB3 LYS A 55 4.788 -11.665 0.446 1.00 10.12 H new ATOM 0 HG2 LYS A 55 6.089 -12.470 -1.407 1.00 1.32 H new ATOM 0 HG3 LYS A 55 6.834 -10.905 -1.665 1.00 1.32 H new ATOM 0 HD2 LYS A 55 7.216 -12.573 0.858 1.00 4.33 H new ATOM 0 HD3 LYS A 55 8.317 -12.597 -0.505 1.00 4.33 H new ATOM 0 HE2 LYS A 55 7.607 -10.113 1.115 1.00 53.33 H new ATOM 0 HE3 LYS A 55 9.063 -11.064 1.330 1.00 53.33 H new ATOM 0 HZ1 LYS A 55 9.458 -9.126 -0.056 1.00 54.50 H new ATOM 0 HZ2 LYS A 55 9.712 -10.550 -0.946 1.00 54.50 H new ATOM 0 HZ3 LYS A 55 8.291 -9.647 -1.174 1.00 54.50 H new ATOM 826 N ASP A 56 2.549 -10.674 0.560 1.00 62.30 N ATOM 827 CA ASP A 56 1.279 -10.460 1.263 1.00 24.52 C ATOM 828 C ASP A 56 1.446 -9.543 2.497 1.00 25.13 C ATOM 829 O ASP A 56 0.862 -9.791 3.555 1.00 61.31 O ATOM 830 CB ASP A 56 0.719 -11.828 1.684 1.00 32.15 C ATOM 831 CG ASP A 56 -0.799 -11.898 1.620 1.00 52.31 C ATOM 832 OD1 ASP A 56 -1.468 -10.928 2.020 1.00 73.45 O ATOM 833 OD2 ASP A 56 -1.331 -12.924 1.139 1.00 1.14 O ATOM 0 H ASP A 56 2.992 -11.570 0.763 1.00 62.30 H new ATOM 0 HA ASP A 56 0.586 -9.956 0.589 1.00 24.52 H new ATOM 0 HB2 ASP A 56 1.140 -12.600 1.039 1.00 32.15 H new ATOM 0 HB3 ASP A 56 1.044 -12.050 2.700 1.00 32.15 H new ATOM 838 N GLY A 57 2.221 -8.467 2.356 1.00 41.45 N ATOM 839 CA GLY A 57 2.474 -7.584 3.492 1.00 42.25 C ATOM 840 C GLY A 57 3.499 -6.496 3.197 1.00 64.23 C ATOM 841 O GLY A 57 4.483 -6.342 3.926 1.00 13.04 O ATOM 0 H GLY A 57 2.675 -8.191 1.486 1.00 41.45 H new ATOM 0 HA2 GLY A 57 1.537 -7.117 3.795 1.00 42.25 H new ATOM 0 HA3 GLY A 57 2.821 -8.180 4.336 1.00 42.25 H new ATOM 845 N ASP A 58 3.276 -5.747 2.121 1.00 50.31 N ATOM 846 CA ASP A 58 4.157 -4.633 1.755 1.00 43.20 C ATOM 847 C ASP A 58 3.356 -3.334 1.579 1.00 50.13 C ATOM 848 O ASP A 58 2.405 -3.270 0.796 1.00 60.35 O ATOM 849 CB ASP A 58 4.938 -4.965 0.476 1.00 74.44 C ATOM 850 CG ASP A 58 5.972 -6.057 0.700 1.00 50.42 C ATOM 851 OD1 ASP A 58 7.105 -5.733 1.107 1.00 14.42 O ATOM 852 OD2 ASP A 58 5.653 -7.247 0.484 1.00 13.22 O ATOM 0 H ASP A 58 2.492 -5.889 1.484 1.00 50.31 H new ATOM 0 HA ASP A 58 4.869 -4.482 2.566 1.00 43.20 H new ATOM 0 HB2 ASP A 58 4.242 -5.281 -0.301 1.00 74.44 H new ATOM 0 HB3 ASP A 58 5.435 -4.066 0.112 1.00 74.44 H new ATOM 857 N ALA A 59 3.739 -2.300 2.325 1.00 53.44 N ATOM 858 CA ALA A 59 3.065 -1.002 2.260 1.00 43.34 C ATOM 859 C ALA A 59 3.472 -0.217 1.006 1.00 53.12 C ATOM 860 O ALA A 59 4.373 0.620 1.049 1.00 51.32 O ATOM 861 CB ALA A 59 3.359 -0.189 3.515 1.00 34.11 C ATOM 0 H ALA A 59 4.516 -2.335 2.985 1.00 53.44 H new ATOM 0 HA ALA A 59 1.992 -1.187 2.201 1.00 43.34 H new ATOM 0 HB1 ALA A 59 2.851 0.773 3.452 1.00 34.11 H new ATOM 0 HB2 ALA A 59 3.003 -0.731 4.391 1.00 34.11 H new ATOM 0 HB3 ALA A 59 4.434 -0.027 3.600 1.00 34.11 H new ATOM 867 N VAL A 60 2.825 -0.517 -0.115 1.00 31.10 N ATOM 868 CA VAL A 60 3.109 0.168 -1.380 1.00 12.43 C ATOM 869 C VAL A 60 2.344 1.502 -1.486 1.00 54.13 C ATOM 870 O VAL A 60 1.134 1.534 -1.706 1.00 72.32 O ATOM 871 CB VAL A 60 2.787 -0.738 -2.602 1.00 52.23 C ATOM 872 CG1 VAL A 60 1.347 -1.251 -2.552 1.00 74.42 C ATOM 873 CG2 VAL A 60 3.063 -0.002 -3.918 1.00 61.44 C ATOM 0 H VAL A 60 2.099 -1.230 -0.178 1.00 31.10 H new ATOM 0 HA VAL A 60 4.177 0.387 -1.390 1.00 12.43 H new ATOM 0 HB VAL A 60 3.447 -1.604 -2.554 1.00 52.23 H new ATOM 0 HG11 VAL A 60 1.155 -1.881 -3.420 1.00 74.42 H new ATOM 0 HG12 VAL A 60 1.199 -1.833 -1.642 1.00 74.42 H new ATOM 0 HG13 VAL A 60 0.659 -0.405 -2.558 1.00 74.42 H new ATOM 0 HG21 VAL A 60 2.830 -0.657 -4.757 1.00 61.44 H new ATOM 0 HG22 VAL A 60 2.442 0.892 -3.972 1.00 61.44 H new ATOM 0 HG23 VAL A 60 4.114 0.283 -3.962 1.00 61.44 H new ATOM 883 N GLU A 61 3.057 2.611 -1.309 1.00 2.22 N ATOM 884 CA GLU A 61 2.446 3.942 -1.385 1.00 51.32 C ATOM 885 C GLU A 61 2.398 4.450 -2.839 1.00 34.43 C ATOM 886 O GLU A 61 3.400 4.903 -3.395 1.00 3.32 O ATOM 887 CB GLU A 61 3.193 4.924 -0.471 1.00 21.04 C ATOM 888 CG GLU A 61 3.184 4.498 0.999 1.00 32.02 C ATOM 889 CD GLU A 61 3.800 5.530 1.931 1.00 63.42 C ATOM 890 OE1 GLU A 61 3.071 6.427 2.403 1.00 13.53 O ATOM 891 OE2 GLU A 61 5.014 5.441 2.211 1.00 73.31 O ATOM 0 H GLU A 61 4.058 2.618 -1.112 1.00 2.22 H new ATOM 0 HA GLU A 61 1.416 3.869 -1.035 1.00 51.32 H new ATOM 0 HB2 GLU A 61 4.225 5.015 -0.811 1.00 21.04 H new ATOM 0 HB3 GLU A 61 2.740 5.911 -0.560 1.00 21.04 H new ATOM 0 HG2 GLU A 61 2.156 4.308 1.308 1.00 32.02 H new ATOM 0 HG3 GLU A 61 3.726 3.558 1.100 1.00 32.02 H new ATOM 898 N PHE A 62 1.218 4.328 -3.446 1.00 33.13 N ATOM 899 CA PHE A 62 0.989 4.721 -4.845 1.00 2.34 C ATOM 900 C PHE A 62 0.274 6.081 -4.917 1.00 15.21 C ATOM 901 O PHE A 62 -0.902 6.189 -4.567 1.00 73.52 O ATOM 902 CB PHE A 62 0.147 3.631 -5.531 1.00 54.34 C ATOM 903 CG PHE A 62 -0.091 3.843 -7.005 1.00 50.42 C ATOM 904 CD1 PHE A 62 0.822 3.375 -7.940 1.00 72.31 C ATOM 905 CD2 PHE A 62 -1.232 4.494 -7.458 1.00 22.42 C ATOM 906 CE1 PHE A 62 0.608 3.553 -9.290 1.00 1.22 C ATOM 907 CE2 PHE A 62 -1.450 4.673 -8.810 1.00 4.40 C ATOM 908 CZ PHE A 62 -0.529 4.203 -9.726 1.00 72.25 C ATOM 0 H PHE A 62 0.389 3.954 -2.984 1.00 33.13 H new ATOM 0 HA PHE A 62 1.946 4.823 -5.357 1.00 2.34 H new ATOM 0 HB2 PHE A 62 0.642 2.670 -5.393 1.00 54.34 H new ATOM 0 HB3 PHE A 62 -0.818 3.568 -5.028 1.00 54.34 H new ATOM 0 HD1 PHE A 62 1.713 2.864 -7.605 1.00 72.31 H new ATOM 0 HD2 PHE A 62 -1.955 4.864 -6.746 1.00 22.42 H new ATOM 0 HE1 PHE A 62 1.329 3.185 -10.005 1.00 1.22 H new ATOM 0 HE2 PHE A 62 -2.340 5.180 -9.151 1.00 4.40 H new ATOM 0 HZ PHE A 62 -0.699 4.344 -10.783 1.00 72.25 H new ATOM 918 N LEU A 63 0.974 7.116 -5.384 1.00 52.34 N ATOM 919 CA LEU A 63 0.430 8.483 -5.360 1.00 74.33 C ATOM 920 C LEU A 63 0.714 9.254 -6.663 1.00 54.14 C ATOM 921 O LEU A 63 1.654 8.942 -7.388 1.00 14.45 O ATOM 922 CB LEU A 63 0.978 9.269 -4.150 1.00 31.22 C ATOM 923 CG LEU A 63 2.500 9.533 -4.129 1.00 23.12 C ATOM 924 CD1 LEU A 63 2.844 10.587 -3.078 1.00 65.21 C ATOM 925 CD2 LEU A 63 3.288 8.251 -3.853 1.00 32.41 C ATOM 0 H LEU A 63 1.911 7.040 -5.781 1.00 52.34 H new ATOM 0 HA LEU A 63 -0.652 8.387 -5.267 1.00 74.33 H new ATOM 0 HB2 LEU A 63 0.465 10.230 -4.107 1.00 31.22 H new ATOM 0 HB3 LEU A 63 0.714 8.726 -3.243 1.00 31.22 H new ATOM 0 HG LEU A 63 2.783 9.901 -5.115 1.00 23.12 H new ATOM 0 HD11 LEU A 63 3.920 10.761 -3.076 1.00 65.21 H new ATOM 0 HD12 LEU A 63 2.326 11.517 -3.312 1.00 65.21 H new ATOM 0 HD13 LEU A 63 2.532 10.236 -2.095 1.00 65.21 H new ATOM 0 HD21 LEU A 63 4.355 8.474 -3.845 1.00 32.41 H new ATOM 0 HD22 LEU A 63 2.995 7.845 -2.885 1.00 32.41 H new ATOM 0 HD23 LEU A 63 3.076 7.519 -4.632 1.00 32.41 H new ATOM 937 N TYR A 64 -0.139 10.249 -6.948 1.00 61.24 N ATOM 938 CA TYR A 64 0.006 11.140 -8.119 1.00 2.42 C ATOM 939 C TYR A 64 -0.150 10.418 -9.472 1.00 21.14 C ATOM 940 O TYR A 64 0.088 11.009 -10.528 1.00 71.32 O ATOM 941 CB TYR A 64 1.346 11.898 -8.068 1.00 15.30 C ATOM 942 CG TYR A 64 1.384 12.996 -7.020 1.00 72.12 C ATOM 943 CD1 TYR A 64 0.622 14.147 -7.180 1.00 14.42 C ATOM 944 CD2 TYR A 64 2.169 12.884 -5.875 1.00 31.44 C ATOM 945 CE1 TYR A 64 0.640 15.152 -6.237 1.00 75.32 C ATOM 946 CE2 TYR A 64 2.191 13.888 -4.925 1.00 32.44 C ATOM 947 CZ TYR A 64 1.424 15.021 -5.113 1.00 1.13 C ATOM 948 OH TYR A 64 1.436 16.031 -4.174 1.00 14.43 O ATOM 0 H TYR A 64 -0.954 10.463 -6.373 1.00 61.24 H new ATOM 0 HA TYR A 64 -0.818 11.851 -8.054 1.00 2.42 H new ATOM 0 HB2 TYR A 64 2.148 11.188 -7.867 1.00 15.30 H new ATOM 0 HB3 TYR A 64 1.544 12.335 -9.047 1.00 15.30 H new ATOM 0 HD1 TYR A 64 0.004 14.256 -8.059 1.00 14.42 H new ATOM 0 HD2 TYR A 64 2.770 11.999 -5.727 1.00 31.44 H new ATOM 0 HE1 TYR A 64 0.041 16.039 -6.379 1.00 75.32 H new ATOM 0 HE2 TYR A 64 2.804 13.787 -4.042 1.00 32.44 H new ATOM 0 HH TYR A 64 2.037 15.788 -3.439 1.00 14.43 H new ATOM 958 N PHE A 65 -0.573 9.157 -9.442 1.00 74.44 N ATOM 959 CA PHE A 65 -0.807 8.382 -10.672 1.00 54.13 C ATOM 960 C PHE A 65 -2.174 7.675 -10.642 1.00 0.32 C ATOM 961 O PHE A 65 -2.375 6.657 -11.302 1.00 31.44 O ATOM 962 CB PHE A 65 0.321 7.355 -10.877 1.00 51.52 C ATOM 963 CG PHE A 65 1.645 7.971 -11.267 1.00 64.14 C ATOM 964 CD1 PHE A 65 2.551 8.391 -10.301 1.00 13.34 C ATOM 965 CD2 PHE A 65 1.982 8.132 -12.605 1.00 44.22 C ATOM 966 CE1 PHE A 65 3.758 8.960 -10.662 1.00 25.23 C ATOM 967 CE2 PHE A 65 3.188 8.698 -12.969 1.00 61.42 C ATOM 968 CZ PHE A 65 4.077 9.112 -11.997 1.00 45.03 C ATOM 0 H PHE A 65 -0.763 8.643 -8.581 1.00 74.44 H new ATOM 0 HA PHE A 65 -0.811 9.079 -11.510 1.00 54.13 H new ATOM 0 HB2 PHE A 65 0.453 6.786 -9.957 1.00 51.52 H new ATOM 0 HB3 PHE A 65 0.019 6.647 -11.649 1.00 51.52 H new ATOM 0 HD1 PHE A 65 2.309 8.271 -9.255 1.00 13.34 H new ATOM 0 HD2 PHE A 65 1.292 7.810 -13.371 1.00 44.22 H new ATOM 0 HE1 PHE A 65 4.451 9.285 -9.900 1.00 25.23 H new ATOM 0 HE2 PHE A 65 3.436 8.817 -14.013 1.00 61.42 H new ATOM 0 HZ PHE A 65 5.021 9.554 -12.280 1.00 45.03 H new ATOM 978 N MET A 66 -3.119 8.237 -9.886 1.00 64.04 N ATOM 979 CA MET A 66 -4.476 7.681 -9.789 1.00 62.52 C ATOM 980 C MET A 66 -5.150 7.588 -11.168 1.00 42.43 C ATOM 981 O MET A 66 -5.008 8.484 -12.006 1.00 61.23 O ATOM 982 CB MET A 66 -5.342 8.536 -8.852 1.00 33.11 C ATOM 983 CG MET A 66 -4.896 8.522 -7.393 1.00 63.42 C ATOM 984 SD MET A 66 -3.251 9.224 -7.147 1.00 35.43 S ATOM 985 CE MET A 66 -3.122 9.139 -5.359 1.00 31.22 C ATOM 0 H MET A 66 -2.972 9.079 -9.329 1.00 64.04 H new ATOM 0 HA MET A 66 -4.385 6.674 -9.383 1.00 62.52 H new ATOM 0 HB2 MET A 66 -5.337 9.565 -9.211 1.00 33.11 H new ATOM 0 HB3 MET A 66 -6.372 8.184 -8.908 1.00 33.11 H new ATOM 0 HG2 MET A 66 -5.616 9.080 -6.794 1.00 63.42 H new ATOM 0 HG3 MET A 66 -4.905 7.495 -7.027 1.00 63.42 H new ATOM 0 HE1 MET A 66 -2.343 9.820 -5.018 1.00 31.22 H new ATOM 0 HE2 MET A 66 -4.074 9.424 -4.912 1.00 31.22 H new ATOM 0 HE3 MET A 66 -2.871 8.121 -5.060 1.00 31.22 H new ATOM 995 N GLY A 67 -5.886 6.503 -11.392 1.00 13.52 N ATOM 996 CA GLY A 67 -6.564 6.297 -12.669 1.00 3.02 C ATOM 997 C GLY A 67 -7.896 5.559 -12.539 1.00 53.31 C ATOM 998 O GLY A 67 -8.847 5.838 -13.276 1.00 44.44 O ATOM 0 H GLY A 67 -6.028 5.757 -10.711 1.00 13.52 H new ATOM 0 HA2 GLY A 67 -6.738 7.265 -13.139 1.00 3.02 H new ATOM 0 HA3 GLY A 67 -5.908 5.733 -13.333 1.00 3.02 H new ATOM 1002 N GLY A 68 -7.965 4.610 -11.609 1.00 74.35 N ATOM 1003 CA GLY A 68 -9.187 3.836 -11.408 1.00 32.00 C ATOM 1004 C GLY A 68 -9.234 2.559 -12.246 1.00 22.31 C ATOM 1005 O GLY A 68 -8.405 1.665 -12.071 1.00 24.10 O ATOM 0 H GLY A 68 -7.196 4.360 -10.987 1.00 74.35 H new ATOM 0 HA2 GLY A 68 -9.275 3.575 -10.353 1.00 32.00 H new ATOM 0 HA3 GLY A 68 -10.048 4.457 -11.655 1.00 32.00 H new ATOM 1009 N GLY A 69 -10.210 2.470 -13.151 1.00 21.50 N ATOM 1010 CA GLY A 69 -10.360 1.283 -13.993 1.00 53.44 C ATOM 1011 C GLY A 69 -10.832 0.055 -13.217 1.00 1.43 C ATOM 1012 O GLY A 69 -10.464 -1.079 -13.542 1.00 11.21 O ATOM 0 H GLY A 69 -10.903 3.199 -13.319 1.00 21.50 H new ATOM 0 HA2 GLY A 69 -11.072 1.498 -14.790 1.00 53.44 H new ATOM 0 HA3 GLY A 69 -9.405 1.060 -14.470 1.00 53.44 H new ATOM 1016 N LYS A 70 -11.664 0.280 -12.199 1.00 13.22 N ATOM 1017 CA LYS A 70 -12.140 -0.797 -11.321 1.00 44.43 C ATOM 1018 C LYS A 70 -13.646 -1.056 -11.472 1.00 13.12 C ATOM 1019 O LYS A 70 -14.470 -0.146 -11.342 1.00 0.23 O ATOM 1020 CB LYS A 70 -11.831 -0.462 -9.853 1.00 32.12 C ATOM 1021 CG LYS A 70 -10.362 -0.620 -9.472 1.00 73.53 C ATOM 1022 CD LYS A 70 -10.126 -0.268 -8.002 1.00 15.41 C ATOM 1023 CE LYS A 70 -8.715 -0.622 -7.543 1.00 20.44 C ATOM 1024 NZ LYS A 70 -8.470 -2.088 -7.577 1.00 62.51 N ATOM 0 H LYS A 70 -12.026 1.203 -11.959 1.00 13.22 H new ATOM 0 HA LYS A 70 -11.613 -1.703 -11.621 1.00 44.43 H new ATOM 0 HB2 LYS A 70 -12.138 0.565 -9.654 1.00 32.12 H new ATOM 0 HB3 LYS A 70 -12.433 -1.105 -9.211 1.00 32.12 H new ATOM 0 HG2 LYS A 70 -10.045 -1.646 -9.658 1.00 73.53 H new ATOM 0 HG3 LYS A 70 -9.749 0.022 -10.105 1.00 73.53 H new ATOM 0 HD2 LYS A 70 -10.298 0.798 -7.854 1.00 15.41 H new ATOM 0 HD3 LYS A 70 -10.851 -0.797 -7.383 1.00 15.41 H new ATOM 0 HE2 LYS A 70 -7.989 -0.118 -8.181 1.00 20.44 H new ATOM 0 HE3 LYS A 70 -8.560 -0.252 -6.530 1.00 20.44 H new ATOM 0 HZ1 LYS A 70 -7.624 -2.312 -7.016 1.00 62.51 H new ATOM 0 HZ2 LYS A 70 -9.291 -2.587 -7.179 1.00 62.51 H new ATOM 0 HZ3 LYS A 70 -8.324 -2.393 -8.561 1.00 62.51 H new ATOM 1038 N LEU A 71 -13.998 -2.312 -11.741 1.00 60.41 N ATOM 1039 CA LEU A 71 -15.396 -2.750 -11.724 1.00 22.54 C ATOM 1040 C LEU A 71 -15.794 -3.218 -10.314 1.00 5.12 C ATOM 1041 O LEU A 71 -14.969 -3.218 -9.399 1.00 35.51 O ATOM 1042 CB LEU A 71 -15.627 -3.859 -12.772 1.00 32.31 C ATOM 1043 CG LEU A 71 -14.664 -5.070 -12.733 1.00 52.22 C ATOM 1044 CD1 LEU A 71 -14.972 -6.002 -11.561 1.00 10.13 C ATOM 1045 CD2 LEU A 71 -14.714 -5.838 -14.052 1.00 21.21 C ATOM 0 H LEU A 71 -13.332 -3.049 -11.975 1.00 60.41 H new ATOM 0 HA LEU A 71 -16.033 -1.905 -11.988 1.00 22.54 H new ATOM 0 HB2 LEU A 71 -16.645 -4.231 -12.654 1.00 32.31 H new ATOM 0 HB3 LEU A 71 -15.565 -3.408 -13.762 1.00 32.31 H new ATOM 0 HG LEU A 71 -13.656 -4.681 -12.589 1.00 52.22 H new ATOM 0 HD11 LEU A 71 -14.274 -6.839 -11.569 1.00 10.13 H new ATOM 0 HD12 LEU A 71 -14.871 -5.454 -10.624 1.00 10.13 H new ATOM 0 HD13 LEU A 71 -15.991 -6.378 -11.653 1.00 10.13 H new ATOM 0 HD21 LEU A 71 -14.030 -6.686 -14.006 1.00 21.21 H new ATOM 0 HD22 LEU A 71 -15.728 -6.199 -14.225 1.00 21.21 H new ATOM 0 HD23 LEU A 71 -14.419 -5.179 -14.868 1.00 21.21 H new ATOM 1057 N GLU A 72 -17.048 -3.621 -10.136 1.00 33.20 N ATOM 1058 CA GLU A 72 -17.525 -4.073 -8.821 1.00 43.22 C ATOM 1059 C GLU A 72 -18.603 -5.157 -8.945 1.00 11.53 C ATOM 1060 O GLU A 72 -19.552 -5.017 -9.714 1.00 22.11 O ATOM 1061 CB GLU A 72 -18.064 -2.880 -8.025 1.00 75.21 C ATOM 1062 CG GLU A 72 -18.568 -3.238 -6.631 1.00 13.23 C ATOM 1063 CD GLU A 72 -19.023 -2.015 -5.855 1.00 3.15 C ATOM 1064 OE1 GLU A 72 -20.114 -1.488 -6.159 1.00 62.03 O ATOM 1065 OE2 GLU A 72 -18.284 -1.562 -4.955 1.00 40.00 O ATOM 0 H GLU A 72 -17.751 -3.646 -10.874 1.00 33.20 H new ATOM 0 HA GLU A 72 -16.679 -4.513 -8.293 1.00 43.22 H new ATOM 0 HB2 GLU A 72 -17.276 -2.132 -7.934 1.00 75.21 H new ATOM 0 HB3 GLU A 72 -18.877 -2.420 -8.587 1.00 75.21 H new ATOM 0 HG2 GLU A 72 -19.396 -3.942 -6.715 1.00 13.23 H new ATOM 0 HG3 GLU A 72 -17.776 -3.743 -6.078 1.00 13.23 H new ATOM 1072 N HIS A 73 -18.450 -6.239 -8.182 1.00 62.12 N ATOM 1073 CA HIS A 73 -19.407 -7.348 -8.209 1.00 72.31 C ATOM 1074 C HIS A 73 -20.584 -7.101 -7.247 1.00 20.11 C ATOM 1075 O HIS A 73 -20.391 -6.873 -6.051 1.00 42.42 O ATOM 1076 CB HIS A 73 -18.705 -8.668 -7.858 1.00 33.13 C ATOM 1077 CG HIS A 73 -19.624 -9.852 -7.853 1.00 4.01 C ATOM 1078 ND1 HIS A 73 -19.894 -10.591 -6.722 1.00 42.33 N ATOM 1079 CD2 HIS A 73 -20.347 -10.420 -8.846 1.00 12.14 C ATOM 1080 CE1 HIS A 73 -20.741 -11.553 -7.016 1.00 42.05 C ATOM 1081 NE2 HIS A 73 -21.032 -11.474 -8.295 1.00 34.24 N ATOM 0 H HIS A 73 -17.672 -6.372 -7.536 1.00 62.12 H new ATOM 0 HA HIS A 73 -19.808 -7.415 -9.220 1.00 72.31 H new ATOM 0 HB2 HIS A 73 -17.902 -8.845 -8.574 1.00 33.13 H new ATOM 0 HB3 HIS A 73 -18.242 -8.574 -6.876 1.00 33.13 H new ATOM 0 HD2 HIS A 73 -20.379 -10.103 -9.878 1.00 12.14 H new ATOM 0 HE1 HIS A 73 -21.131 -12.284 -6.324 1.00 42.05 H new ATOM 0 HE2 HIS A 73 -21.665 -12.096 -8.798 1.00 34.24 H new ATOM 1090 N HIS A 74 -21.798 -7.158 -7.789 1.00 42.33 N ATOM 1091 CA HIS A 74 -23.028 -6.971 -7.010 1.00 24.21 C ATOM 1092 C HIS A 74 -23.146 -7.994 -5.866 1.00 63.13 C ATOM 1093 O HIS A 74 -23.170 -9.202 -6.101 1.00 4.32 O ATOM 1094 CB HIS A 74 -24.243 -7.086 -7.945 1.00 73.12 C ATOM 1095 CG HIS A 74 -25.572 -7.027 -7.249 1.00 24.42 C ATOM 1096 ND1 HIS A 74 -26.231 -5.851 -6.981 1.00 64.11 N ATOM 1097 CD2 HIS A 74 -26.374 -8.014 -6.780 1.00 74.11 C ATOM 1098 CE1 HIS A 74 -27.372 -6.112 -6.379 1.00 2.42 C ATOM 1099 NE2 HIS A 74 -27.485 -7.415 -6.245 1.00 33.40 N ATOM 0 H HIS A 74 -21.961 -7.335 -8.780 1.00 42.33 H new ATOM 0 HA HIS A 74 -22.995 -5.980 -6.558 1.00 24.21 H new ATOM 0 HB2 HIS A 74 -24.197 -6.283 -8.681 1.00 73.12 H new ATOM 0 HB3 HIS A 74 -24.176 -8.026 -8.494 1.00 73.12 H new ATOM 0 HD2 HIS A 74 -26.175 -9.075 -6.820 1.00 74.11 H new ATOM 0 HE1 HIS A 74 -28.094 -5.379 -6.050 1.00 2.42 H new ATOM 0 HE2 HIS A 74 -28.271 -7.901 -5.813 1.00 33.40 H new ATOM 1108 N HIS A 75 -23.229 -7.498 -4.632 1.00 65.35 N ATOM 1109 CA HIS A 75 -23.402 -8.364 -3.460 1.00 12.22 C ATOM 1110 C HIS A 75 -24.884 -8.695 -3.234 1.00 1.15 C ATOM 1111 O HIS A 75 -25.747 -7.833 -3.401 1.00 63.21 O ATOM 1112 CB HIS A 75 -22.816 -7.693 -2.210 1.00 33.12 C ATOM 1113 CG HIS A 75 -21.345 -7.429 -2.306 1.00 5.42 C ATOM 1114 ND1 HIS A 75 -20.786 -6.176 -2.154 1.00 34.21 N ATOM 1115 CD2 HIS A 75 -20.309 -8.271 -2.530 1.00 71.54 C ATOM 1116 CE1 HIS A 75 -19.478 -6.261 -2.283 1.00 43.53 C ATOM 1117 NE2 HIS A 75 -19.164 -7.517 -2.510 1.00 50.21 N ATOM 0 H HIS A 75 -23.180 -6.503 -4.415 1.00 65.35 H new ATOM 0 HA HIS A 75 -22.868 -9.295 -3.647 1.00 12.22 H new ATOM 0 HB2 HIS A 75 -23.335 -6.751 -2.036 1.00 33.12 H new ATOM 0 HB3 HIS A 75 -23.007 -8.327 -1.344 1.00 33.12 H new ATOM 0 HD2 HIS A 75 -20.372 -9.337 -2.694 1.00 71.54 H new ATOM 0 HE1 HIS A 75 -18.782 -5.438 -2.214 1.00 43.53 H new ATOM 0 HE2 HIS A 75 -18.219 -7.874 -2.649 1.00 50.21 H new ATOM 1126 N HIS A 76 -25.162 -9.944 -2.855 1.00 31.25 N ATOM 1127 CA HIS A 76 -26.534 -10.422 -2.618 1.00 62.34 C ATOM 1128 C HIS A 76 -27.396 -10.370 -3.894 1.00 35.13 C ATOM 1129 O HIS A 76 -27.754 -9.300 -4.379 1.00 30.24 O ATOM 1130 CB HIS A 76 -27.200 -9.626 -1.486 1.00 63.25 C ATOM 1131 CG HIS A 76 -28.572 -10.113 -1.140 1.00 43.23 C ATOM 1132 ND1 HIS A 76 -28.821 -11.392 -0.693 1.00 50.30 N ATOM 1133 CD2 HIS A 76 -29.777 -9.497 -1.190 1.00 31.52 C ATOM 1134 CE1 HIS A 76 -30.112 -11.543 -0.485 1.00 54.41 C ATOM 1135 NE2 HIS A 76 -30.717 -10.411 -0.779 1.00 12.25 N ATOM 0 H HIS A 76 -24.447 -10.655 -2.703 1.00 31.25 H new ATOM 0 HA HIS A 76 -26.461 -11.467 -2.317 1.00 62.34 H new ATOM 0 HB2 HIS A 76 -26.570 -9.677 -0.598 1.00 63.25 H new ATOM 0 HB3 HIS A 76 -27.258 -8.577 -1.776 1.00 63.25 H new ATOM 0 HD2 HIS A 76 -29.964 -8.478 -1.496 1.00 31.52 H new ATOM 0 HE1 HIS A 76 -30.594 -12.443 -0.133 1.00 54.41 H new ATOM 0 HE2 HIS A 76 -31.720 -10.240 -0.712 1.00 12.25 H new ATOM 1144 N HIS A 77 -27.747 -11.540 -4.413 1.00 25.54 N ATOM 1145 CA HIS A 77 -28.510 -11.642 -5.664 1.00 1.43 C ATOM 1146 C HIS A 77 -29.584 -12.736 -5.571 1.00 40.11 C ATOM 1147 O HIS A 77 -29.903 -13.215 -4.484 1.00 73.32 O ATOM 1148 CB HIS A 77 -27.553 -11.934 -6.827 1.00 32.12 C ATOM 1149 CG HIS A 77 -26.694 -13.142 -6.608 1.00 1.13 C ATOM 1150 ND1 HIS A 77 -27.188 -14.428 -6.597 1.00 50.12 N ATOM 1151 CD2 HIS A 77 -25.366 -13.252 -6.370 1.00 0.45 C ATOM 1152 CE1 HIS A 77 -26.209 -15.272 -6.358 1.00 31.44 C ATOM 1153 NE2 HIS A 77 -25.095 -14.588 -6.218 1.00 72.35 N ATOM 0 H HIS A 77 -27.517 -12.439 -3.989 1.00 25.54 H new ATOM 0 HA HIS A 77 -29.016 -10.693 -5.840 1.00 1.43 H new ATOM 0 HB2 HIS A 77 -28.134 -12.072 -7.739 1.00 32.12 H new ATOM 0 HB3 HIS A 77 -26.912 -11.067 -6.986 1.00 32.12 H new ATOM 0 HD1 HIS A 77 -28.163 -14.685 -6.751 1.00 50.12 H new ATOM 0 HD2 HIS A 77 -24.655 -12.441 -6.311 1.00 0.45 H new ATOM 0 HE1 HIS A 77 -26.304 -16.346 -6.288 1.00 31.44 H new ATOM 1162 N HIS A 78 -30.152 -13.114 -6.715 1.00 64.30 N ATOM 1163 CA HIS A 78 -31.127 -14.215 -6.770 1.00 74.21 C ATOM 1164 C HIS A 78 -30.443 -15.564 -7.100 1.00 21.42 C ATOM 1165 O HIS A 78 -30.787 -16.194 -8.123 1.00 37.71 O ATOM 1166 CB HIS A 78 -32.231 -13.883 -7.791 1.00 64.23 C ATOM 1167 CG HIS A 78 -31.717 -13.422 -9.127 1.00 32.11 C ATOM 1168 ND1 HIS A 78 -31.402 -12.109 -9.400 1.00 40.44 N ATOM 1169 CD2 HIS A 78 -31.455 -14.108 -10.267 1.00 20.31 C ATOM 1170 CE1 HIS A 78 -30.974 -12.006 -10.641 1.00 43.31 C ATOM 1171 NE2 HIS A 78 -30.994 -13.202 -11.189 1.00 32.40 N ATOM 1172 OXT HIS A 78 -29.542 -15.980 -6.337 1.00 37.71 O ATOM 0 H HIS A 78 -29.958 -12.679 -7.617 1.00 64.30 H new ATOM 0 HA HIS A 78 -31.582 -14.323 -5.785 1.00 74.21 H new ATOM 0 HB2 HIS A 78 -32.852 -14.767 -7.938 1.00 64.23 H new ATOM 0 HB3 HIS A 78 -32.874 -13.108 -7.375 1.00 64.23 H new ATOM 0 HD2 HIS A 78 -31.585 -15.169 -10.421 1.00 20.31 H new ATOM 0 HE1 HIS A 78 -30.660 -11.094 -11.127 1.00 43.31 H new ATOM 0 HE2 HIS A 78 -30.712 -13.421 -12.145 1.00 32.40 H new TER 1181 HIS A 78