USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 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 17 LYS NZ :NH3+ -143:sc= -1.41! (180deg=-3.33) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= -0.119 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 GLN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.0601 (180deg=0) USER MOD Single : A 2 MET CE :methyl 148:sc= 0 (180deg=-0.758) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 5 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.45) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0.0551 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= -0.145 (180deg=-1.01) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.1) USER MOD Single : A 36 SER OG : rot -138:sc= 1.26 USER MOD Single : A 37 CYS SG : rot 150:sc= -0.396 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -42:sc= 0.24 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.304 K(o=0.3,f=-2.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 60 HIS : no HE2:sc= 0.493 K(o=0.49,f=-1.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 1.07 (180deg=1) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0304 F(o=-0.62,f=-0.03) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 90 TYR OH : rot 154:sc= 1.29 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 131:sc= 0.0722 USER MOD Single : A 101 ASN : amide:sc= 1.21 K(o=1.2,f=-0.042) USER MOD Single : A 102 GLN : amide:sc= 1.28 K(o=1.3,f=-0.0082) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 147:sc= 2.08 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.022) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.352 -6.962 -28.489 1.00 72.52 N ATOM 2 CA GLY A 1 -7.034 -6.694 -27.084 1.00 22.11 C ATOM 3 C GLY A 1 -7.259 -7.942 -26.250 1.00 55.12 C ATOM 4 O GLY A 1 -7.147 -9.058 -26.759 1.00 42.04 O ATOM 0 H1 GLY A 1 -6.750 -6.374 -29.100 1.00 72.52 H new ATOM 0 H2 GLY A 1 -7.181 -7.966 -28.698 1.00 72.52 H new ATOM 0 H3 GLY A 1 -8.351 -6.736 -28.668 1.00 72.52 H new ATOM 0 HA2 GLY A 1 -5.998 -6.369 -26.993 1.00 22.11 H new ATOM 0 HA3 GLY A 1 -7.657 -5.881 -26.711 1.00 22.11 H new ATOM 8 N MET A 2 -7.518 -7.768 -24.956 1.00 11.44 N ATOM 9 CA MET A 2 -7.639 -8.842 -23.975 1.00 2.40 C ATOM 10 C MET A 2 -8.467 -8.327 -22.799 1.00 21.42 C ATOM 11 O MET A 2 -8.350 -7.147 -22.454 1.00 13.34 O ATOM 12 CB MET A 2 -6.240 -9.260 -23.487 1.00 24.24 C ATOM 13 CG MET A 2 -5.290 -8.082 -23.203 1.00 74.34 C ATOM 14 SD MET A 2 -4.183 -8.332 -21.799 1.00 1.31 S ATOM 15 CE MET A 2 -5.261 -7.735 -20.470 1.00 34.50 C ATOM 0 H MET A 2 -7.654 -6.843 -24.548 1.00 11.44 H new ATOM 0 HA MET A 2 -8.125 -9.708 -24.423 1.00 2.40 H new ATOM 0 HB2 MET A 2 -6.347 -9.852 -22.578 1.00 24.24 H new ATOM 0 HB3 MET A 2 -5.784 -9.906 -24.237 1.00 24.24 H new ATOM 0 HG2 MET A 2 -4.690 -7.893 -24.093 1.00 74.34 H new ATOM 0 HG3 MET A 2 -5.886 -7.187 -23.025 1.00 74.34 H new ATOM 0 HE1 MET A 2 -5.049 -8.287 -19.554 1.00 34.50 H new ATOM 0 HE2 MET A 2 -5.080 -6.673 -20.304 1.00 34.50 H new ATOM 0 HE3 MET A 2 -6.303 -7.885 -20.752 1.00 34.50 H new ATOM 23 N THR A 3 -9.266 -9.182 -22.166 1.00 55.03 N ATOM 24 CA THR A 3 -9.960 -8.846 -20.927 1.00 64.24 C ATOM 25 C THR A 3 -8.989 -8.967 -19.742 1.00 35.34 C ATOM 26 O THR A 3 -7.955 -9.636 -19.865 1.00 52.23 O ATOM 27 CB THR A 3 -11.192 -9.758 -20.760 1.00 31.50 C ATOM 28 OG1 THR A 3 -10.977 -11.063 -21.271 1.00 41.04 O ATOM 29 CG2 THR A 3 -12.398 -9.187 -21.507 1.00 42.23 C ATOM 0 H THR A 3 -9.450 -10.128 -22.499 1.00 55.03 H new ATOM 0 HA THR A 3 -10.313 -7.815 -20.962 1.00 64.24 H new ATOM 0 HB THR A 3 -11.374 -9.808 -19.686 1.00 31.50 H new ATOM 0 HG1 THR A 3 -11.785 -11.603 -21.140 1.00 41.04 H new ATOM 0 HG21 THR A 3 -13.255 -9.848 -21.374 1.00 42.23 H new ATOM 0 HG22 THR A 3 -12.637 -8.200 -21.112 1.00 42.23 H new ATOM 0 HG23 THR A 3 -12.164 -9.106 -22.568 1.00 42.23 H new ATOM 37 N PRO A 4 -9.310 -8.385 -18.573 1.00 14.20 N ATOM 38 CA PRO A 4 -8.556 -8.620 -17.351 1.00 44.35 C ATOM 39 C PRO A 4 -8.573 -10.099 -16.965 1.00 32.12 C ATOM 40 O PRO A 4 -9.346 -10.903 -17.493 1.00 34.31 O ATOM 41 CB PRO A 4 -9.217 -7.755 -16.270 1.00 4.40 C ATOM 42 CG PRO A 4 -10.631 -7.524 -16.795 1.00 3.33 C ATOM 43 CD PRO A 4 -10.444 -7.515 -18.306 1.00 31.42 C ATOM 0 HA PRO A 4 -7.506 -8.355 -17.479 1.00 44.35 H new ATOM 0 HB2 PRO A 4 -9.227 -8.261 -15.305 1.00 4.40 H new ATOM 0 HB3 PRO A 4 -8.684 -6.814 -16.131 1.00 4.40 H new ATOM 0 HG2 PRO A 4 -11.312 -8.314 -16.478 1.00 3.33 H new ATOM 0 HG3 PRO A 4 -11.045 -6.582 -16.435 1.00 3.33 H new ATOM 0 HD2 PRO A 4 -11.340 -7.875 -18.812 1.00 31.42 H new ATOM 0 HD3 PRO A 4 -10.256 -6.505 -18.670 1.00 31.42 H new ATOM 48 N GLN A 5 -7.745 -10.438 -15.988 1.00 53.04 N ATOM 49 CA GLN A 5 -7.754 -11.713 -15.300 1.00 71.14 C ATOM 50 C GLN A 5 -7.480 -11.468 -13.838 1.00 73.13 C ATOM 51 O GLN A 5 -6.919 -10.425 -13.463 1.00 34.24 O ATOM 52 CB GLN A 5 -6.715 -12.685 -15.874 1.00 75.54 C ATOM 53 CG GLN A 5 -5.225 -12.373 -15.638 1.00 0.33 C ATOM 54 CD GLN A 5 -4.764 -11.034 -16.217 1.00 54.05 C ATOM 55 OE1 GLN A 5 -5.030 -10.708 -17.373 1.00 23.14 O ATOM 56 NE2 GLN A 5 -4.085 -10.218 -15.431 1.00 61.41 N ATOM 0 H GLN A 5 -7.023 -9.806 -15.642 1.00 53.04 H new ATOM 0 HA GLN A 5 -8.732 -12.175 -15.437 1.00 71.14 H new ATOM 0 HB2 GLN A 5 -6.919 -13.673 -15.462 1.00 75.54 H new ATOM 0 HB3 GLN A 5 -6.876 -12.749 -16.950 1.00 75.54 H new ATOM 0 HG2 GLN A 5 -5.030 -12.379 -14.566 1.00 0.33 H new ATOM 0 HG3 GLN A 5 -4.625 -13.171 -16.075 1.00 0.33 H new ATOM 0 HE21 GLN A 5 -3.868 -10.495 -14.474 1.00 61.41 H new ATOM 0 HE22 GLN A 5 -3.778 -9.311 -15.781 1.00 61.41 H new ATOM 63 N SER A 6 -7.773 -12.488 -13.049 1.00 44.41 N ATOM 64 CA SER A 6 -7.547 -12.462 -11.633 1.00 2.24 C ATOM 65 C SER A 6 -6.871 -13.774 -11.242 1.00 40.33 C ATOM 66 O SER A 6 -7.470 -14.663 -10.643 1.00 71.51 O ATOM 67 CB SER A 6 -8.882 -12.197 -10.925 1.00 20.24 C ATOM 68 OG SER A 6 -9.518 -11.030 -11.430 1.00 40.42 O ATOM 0 H SER A 6 -8.178 -13.361 -13.387 1.00 44.41 H new ATOM 0 HA SER A 6 -6.879 -11.658 -11.325 1.00 2.24 H new ATOM 0 HB2 SER A 6 -9.540 -13.056 -11.054 1.00 20.24 H new ATOM 0 HB3 SER A 6 -8.711 -12.085 -9.854 1.00 20.24 H new ATOM 0 HG SER A 6 -10.366 -10.890 -10.959 1.00 40.42 H new ATOM 73 N ASP A 7 -5.596 -13.902 -11.595 1.00 35.30 N ATOM 74 CA ASP A 7 -4.829 -15.164 -11.570 1.00 1.00 C ATOM 75 C ASP A 7 -3.519 -15.029 -10.802 1.00 53.44 C ATOM 76 O ASP A 7 -2.604 -15.843 -10.916 1.00 31.41 O ATOM 77 CB ASP A 7 -4.551 -15.602 -13.006 1.00 15.11 C ATOM 78 CG ASP A 7 -4.675 -17.115 -13.216 1.00 34.53 C ATOM 79 OD1 ASP A 7 -4.033 -17.938 -12.513 1.00 73.41 O ATOM 80 OD2 ASP A 7 -5.427 -17.498 -14.142 1.00 3.12 O ATOM 0 H ASP A 7 -5.041 -13.110 -11.919 1.00 35.30 H new ATOM 0 HA ASP A 7 -5.426 -15.914 -11.051 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.245 -15.092 -13.674 1.00 15.11 H new ATOM 0 HB3 ASP A 7 -3.547 -15.285 -13.287 1.00 15.11 H new ATOM 84 N THR A 8 -3.382 -13.936 -10.074 1.00 11.20 N ATOM 85 CA THR A 8 -2.259 -13.692 -9.174 1.00 63.23 C ATOM 86 C THR A 8 -2.121 -14.834 -8.139 1.00 32.30 C ATOM 87 O THR A 8 -3.128 -15.454 -7.774 1.00 55.02 O ATOM 88 CB THR A 8 -2.443 -12.318 -8.495 1.00 62.43 C ATOM 89 OG1 THR A 8 -3.809 -12.038 -8.251 1.00 21.43 O ATOM 90 CG2 THR A 8 -1.918 -11.172 -9.360 1.00 21.51 C ATOM 0 H THR A 8 -4.060 -13.174 -10.089 1.00 11.20 H new ATOM 0 HA THR A 8 -1.331 -13.675 -9.745 1.00 63.23 H new ATOM 0 HB THR A 8 -1.881 -12.382 -7.563 1.00 62.43 H new ATOM 0 HG1 THR A 8 -3.904 -11.611 -7.374 1.00 21.43 H new ATOM 0 HG21 THR A 8 -2.069 -10.226 -8.841 1.00 21.51 H new ATOM 0 HG22 THR A 8 -0.854 -11.316 -9.549 1.00 21.51 H new ATOM 0 HG23 THR A 8 -2.456 -11.156 -10.308 1.00 21.51 H new ATOM 98 N PRO A 9 -0.913 -15.076 -7.601 1.00 40.21 N ATOM 99 CA PRO A 9 -0.672 -15.995 -6.484 1.00 41.03 C ATOM 100 C PRO A 9 -1.340 -15.516 -5.186 1.00 75.12 C ATOM 101 O PRO A 9 -1.807 -14.374 -5.096 1.00 72.35 O ATOM 102 CB PRO A 9 0.852 -16.091 -6.365 1.00 63.22 C ATOM 103 CG PRO A 9 1.348 -14.777 -6.959 1.00 61.14 C ATOM 104 CD PRO A 9 0.331 -14.466 -8.043 1.00 35.53 C ATOM 0 HA PRO A 9 -1.115 -16.975 -6.664 1.00 41.03 H new ATOM 0 HB2 PRO A 9 1.166 -16.204 -5.327 1.00 63.22 H new ATOM 0 HB3 PRO A 9 1.242 -16.949 -6.912 1.00 63.22 H new ATOM 0 HG2 PRO A 9 1.387 -13.988 -6.208 1.00 61.14 H new ATOM 0 HG3 PRO A 9 2.353 -14.877 -7.369 1.00 61.14 H new ATOM 0 HD2 PRO A 9 0.215 -13.390 -8.174 1.00 35.53 H new ATOM 0 HD3 PRO A 9 0.646 -14.872 -9.004 1.00 35.53 H new ATOM 109 N LYS A 10 -1.393 -16.381 -4.167 1.00 52.13 N ATOM 110 CA LYS A 10 -1.937 -16.045 -2.847 1.00 32.43 C ATOM 111 C LYS A 10 -0.805 -15.857 -1.857 1.00 1.42 C ATOM 112 O LYS A 10 0.192 -16.579 -1.906 1.00 63.12 O ATOM 113 CB LYS A 10 -2.920 -17.110 -2.355 1.00 60.54 C ATOM 114 CG LYS A 10 -4.248 -17.014 -3.124 1.00 21.52 C ATOM 115 CD LYS A 10 -4.542 -18.288 -3.908 1.00 15.14 C ATOM 116 CE LYS A 10 -5.134 -19.349 -2.977 1.00 74.33 C ATOM 117 NZ LYS A 10 -5.136 -20.683 -3.605 1.00 33.13 N ATOM 0 H LYS A 10 -1.057 -17.342 -4.236 1.00 52.13 H new ATOM 0 HA LYS A 10 -2.492 -15.111 -2.934 1.00 32.43 H new ATOM 0 HB2 LYS A 10 -2.487 -18.102 -2.487 1.00 60.54 H new ATOM 0 HB3 LYS A 10 -3.101 -16.981 -1.288 1.00 60.54 H new ATOM 0 HG2 LYS A 10 -5.061 -16.823 -2.423 1.00 21.52 H new ATOM 0 HG3 LYS A 10 -4.211 -16.166 -3.808 1.00 21.52 H new ATOM 0 HD2 LYS A 10 -5.239 -18.074 -4.719 1.00 15.14 H new ATOM 0 HD3 LYS A 10 -3.626 -18.663 -4.365 1.00 15.14 H new ATOM 0 HE2 LYS A 10 -4.559 -19.383 -2.051 1.00 74.33 H new ATOM 0 HE3 LYS A 10 -6.153 -19.071 -2.709 1.00 74.33 H new ATOM 0 HZ1 LYS A 10 -5.544 -21.376 -2.946 1.00 33.13 H new ATOM 0 HZ2 LYS A 10 -5.705 -20.656 -4.475 1.00 33.13 H new ATOM 0 HZ3 LYS A 10 -4.161 -20.959 -3.838 1.00 33.13 H new ATOM 127 N VAL A 11 -0.938 -14.832 -1.014 1.00 71.54 N ATOM 128 CA VAL A 11 0.097 -14.419 -0.081 1.00 72.12 C ATOM 129 C VAL A 11 0.243 -15.496 0.993 1.00 22.41 C ATOM 130 O VAL A 11 -0.760 -15.923 1.577 1.00 53.02 O ATOM 131 CB VAL A 11 -0.272 -13.045 0.513 1.00 43.34 C ATOM 132 CG1 VAL A 11 0.735 -12.582 1.567 1.00 61.53 C ATOM 133 CG2 VAL A 11 -0.334 -11.959 -0.573 1.00 71.53 C ATOM 0 H VAL A 11 -1.782 -14.261 -0.964 1.00 71.54 H new ATOM 0 HA VAL A 11 1.059 -14.309 -0.582 1.00 72.12 H new ATOM 0 HB VAL A 11 -1.251 -13.180 0.973 1.00 43.34 H new ATOM 0 HG11 VAL A 11 0.433 -11.610 1.956 1.00 61.53 H new ATOM 0 HG12 VAL A 11 0.767 -13.305 2.382 1.00 61.53 H new ATOM 0 HG13 VAL A 11 1.723 -12.501 1.115 1.00 61.53 H new ATOM 0 HG21 VAL A 11 -0.597 -11.004 -0.118 1.00 71.53 H new ATOM 0 HG22 VAL A 11 0.638 -11.874 -1.059 1.00 71.53 H new ATOM 0 HG23 VAL A 11 -1.087 -12.228 -1.313 1.00 71.53 H new ATOM 143 N THR A 12 1.477 -15.896 1.287 1.00 24.21 N ATOM 144 CA THR A 12 1.819 -16.969 2.214 1.00 61.35 C ATOM 145 C THR A 12 2.728 -16.520 3.358 1.00 32.52 C ATOM 146 O THR A 12 3.068 -17.352 4.206 1.00 53.02 O ATOM 147 CB THR A 12 2.402 -18.151 1.432 1.00 73.44 C ATOM 148 OG1 THR A 12 3.392 -17.727 0.517 1.00 53.42 O ATOM 149 CG2 THR A 12 1.285 -18.858 0.672 1.00 33.32 C ATOM 0 H THR A 12 2.300 -15.463 0.868 1.00 24.21 H new ATOM 0 HA THR A 12 0.901 -17.289 2.707 1.00 61.35 H new ATOM 0 HB THR A 12 2.865 -18.833 2.145 1.00 73.44 H new ATOM 0 HG1 THR A 12 3.746 -18.503 0.035 1.00 53.42 H new ATOM 0 HG21 THR A 12 1.699 -19.699 0.116 1.00 33.32 H new ATOM 0 HG22 THR A 12 0.539 -19.222 1.378 1.00 33.32 H new ATOM 0 HG23 THR A 12 0.818 -18.159 -0.022 1.00 33.32 H new ATOM 157 N GLY A 13 3.077 -15.235 3.426 1.00 60.31 N ATOM 158 CA GLY A 13 3.705 -14.620 4.587 1.00 52.41 C ATOM 159 C GLY A 13 3.540 -13.107 4.530 1.00 74.24 C ATOM 160 O GLY A 13 3.542 -12.540 3.436 1.00 35.52 O ATOM 0 H GLY A 13 2.926 -14.582 2.657 1.00 60.31 H new ATOM 0 HA2 GLY A 13 3.257 -15.008 5.501 1.00 52.41 H new ATOM 0 HA3 GLY A 13 4.764 -14.877 4.617 1.00 52.41 H new ATOM 164 N LEU A 14 3.400 -12.468 5.698 1.00 11.04 N ATOM 165 CA LEU A 14 3.210 -11.028 5.857 1.00 21.44 C ATOM 166 C LEU A 14 3.951 -10.570 7.115 1.00 31.43 C ATOM 167 O LEU A 14 3.488 -10.846 8.229 1.00 31.43 O ATOM 168 CB LEU A 14 1.714 -10.668 5.968 1.00 64.31 C ATOM 169 CG LEU A 14 0.924 -10.733 4.652 1.00 54.12 C ATOM 170 CD1 LEU A 14 -0.587 -10.698 4.891 1.00 15.44 C ATOM 171 CD2 LEU A 14 1.285 -9.543 3.762 1.00 43.04 C ATOM 0 H LEU A 14 3.417 -12.962 6.590 1.00 11.04 H new ATOM 0 HA LEU A 14 3.608 -10.521 4.978 1.00 21.44 H new ATOM 0 HB2 LEU A 14 1.247 -11.342 6.686 1.00 64.31 H new ATOM 0 HB3 LEU A 14 1.629 -9.660 6.374 1.00 64.31 H new ATOM 0 HG LEU A 14 1.189 -11.675 4.171 1.00 54.12 H new ATOM 0 HD11 LEU A 14 -1.108 -10.746 3.935 1.00 15.44 H new ATOM 0 HD12 LEU A 14 -0.878 -11.550 5.506 1.00 15.44 H new ATOM 0 HD13 LEU A 14 -0.853 -9.773 5.403 1.00 15.44 H new ATOM 0 HD21 LEU A 14 0.719 -9.599 2.832 1.00 43.04 H new ATOM 0 HD22 LEU A 14 1.042 -8.615 4.279 1.00 43.04 H new ATOM 0 HD23 LEU A 14 2.352 -9.565 3.540 1.00 43.04 H new ATOM 182 N LYS A 15 5.089 -9.889 6.949 1.00 24.13 N ATOM 183 CA LYS A 15 5.934 -9.401 8.037 1.00 43.31 C ATOM 184 C LYS A 15 5.965 -7.886 8.020 1.00 0.43 C ATOM 185 O LYS A 15 5.764 -7.266 6.980 1.00 20.22 O ATOM 186 CB LYS A 15 7.364 -9.960 7.889 1.00 60.44 C ATOM 187 CG LYS A 15 7.680 -11.102 8.863 1.00 63.45 C ATOM 188 CD LYS A 15 7.668 -10.735 10.351 1.00 51.03 C ATOM 189 CE LYS A 15 8.722 -9.672 10.663 1.00 0.32 C ATOM 190 NZ LYS A 15 8.685 -9.229 12.069 1.00 3.44 N ATOM 0 H LYS A 15 5.456 -9.657 6.026 1.00 24.13 H new ATOM 0 HA LYS A 15 5.522 -9.740 8.988 1.00 43.31 H new ATOM 0 HB2 LYS A 15 7.502 -10.316 6.868 1.00 60.44 H new ATOM 0 HB3 LYS A 15 8.079 -9.152 8.045 1.00 60.44 H new ATOM 0 HG2 LYS A 15 6.958 -11.903 8.700 1.00 63.45 H new ATOM 0 HG3 LYS A 15 8.663 -11.503 8.615 1.00 63.45 H new ATOM 0 HD2 LYS A 15 6.681 -10.366 10.630 1.00 51.03 H new ATOM 0 HD3 LYS A 15 7.857 -11.626 10.950 1.00 51.03 H new ATOM 0 HE2 LYS A 15 9.711 -10.070 10.438 1.00 0.32 H new ATOM 0 HE3 LYS A 15 8.569 -8.812 10.011 1.00 0.32 H new ATOM 0 HZ1 LYS A 15 9.419 -8.509 12.226 1.00 3.44 H new ATOM 0 HZ2 LYS A 15 7.751 -8.823 12.281 1.00 3.44 H new ATOM 0 HZ3 LYS A 15 8.859 -10.042 12.694 1.00 3.44 H new ATOM 200 N LEU A 16 6.282 -7.283 9.165 1.00 72.53 N ATOM 201 CA LEU A 16 6.394 -5.837 9.297 1.00 32.20 C ATOM 202 C LEU A 16 7.801 -5.466 9.732 1.00 35.30 C ATOM 203 O LEU A 16 8.450 -6.212 10.469 1.00 74.33 O ATOM 204 CB LEU A 16 5.364 -5.285 10.308 1.00 15.01 C ATOM 205 CG LEU A 16 4.114 -4.652 9.698 1.00 75.35 C ATOM 206 CD1 LEU A 16 4.488 -3.451 8.823 1.00 23.23 C ATOM 207 CD2 LEU A 16 3.301 -5.695 8.924 1.00 51.34 C ATOM 0 H LEU A 16 6.469 -7.790 10.030 1.00 72.53 H new ATOM 0 HA LEU A 16 6.185 -5.390 8.325 1.00 32.20 H new ATOM 0 HB2 LEU A 16 5.054 -6.098 10.964 1.00 15.01 H new ATOM 0 HB3 LEU A 16 5.858 -4.541 10.933 1.00 15.01 H new ATOM 0 HG LEU A 16 3.481 -4.281 10.504 1.00 75.35 H new ATOM 0 HD11 LEU A 16 3.584 -3.015 8.398 1.00 23.23 H new ATOM 0 HD12 LEU A 16 5.001 -2.704 9.430 1.00 23.23 H new ATOM 0 HD13 LEU A 16 5.146 -3.778 8.018 1.00 23.23 H new ATOM 0 HD21 LEU A 16 2.416 -5.223 8.498 1.00 51.34 H new ATOM 0 HD22 LEU A 16 3.912 -6.111 8.123 1.00 51.34 H new ATOM 0 HD23 LEU A 16 2.997 -6.494 9.600 1.00 51.34 H new ATOM 218 N LYS A 17 8.218 -4.267 9.318 1.00 74.12 N ATOM 219 CA LYS A 17 9.411 -3.576 9.788 1.00 21.14 C ATOM 220 C LYS A 17 9.017 -2.136 10.094 1.00 12.13 C ATOM 221 O LYS A 17 9.169 -1.253 9.245 1.00 21.42 O ATOM 222 CB LYS A 17 10.608 -3.712 8.818 1.00 41.41 C ATOM 223 CG LYS A 17 10.298 -3.427 7.335 1.00 75.35 C ATOM 224 CD LYS A 17 10.039 -4.699 6.519 1.00 51.11 C ATOM 225 CE LYS A 17 11.377 -5.356 6.122 1.00 14.43 C ATOM 226 NZ LYS A 17 11.691 -5.333 4.674 1.00 61.31 N ATOM 0 H LYS A 17 7.708 -3.732 8.615 1.00 74.12 H new ATOM 0 HA LYS A 17 9.781 -4.042 10.701 1.00 21.14 H new ATOM 0 HB2 LYS A 17 11.396 -3.032 9.143 1.00 41.41 H new ATOM 0 HB3 LYS A 17 11.006 -4.723 8.900 1.00 41.41 H new ATOM 0 HG2 LYS A 17 9.425 -2.777 7.271 1.00 75.35 H new ATOM 0 HG3 LYS A 17 11.133 -2.883 6.894 1.00 75.35 H new ATOM 0 HD2 LYS A 17 9.440 -5.399 7.102 1.00 51.11 H new ATOM 0 HD3 LYS A 17 9.465 -4.456 5.625 1.00 51.11 H new ATOM 0 HE2 LYS A 17 12.182 -4.855 6.659 1.00 14.43 H new ATOM 0 HE3 LYS A 17 11.367 -6.393 6.458 1.00 14.43 H new ATOM 0 HZ1 LYS A 17 12.163 -6.220 4.407 1.00 61.31 H new ATOM 0 HZ2 LYS A 17 10.811 -5.232 4.129 1.00 61.31 H new ATOM 0 HZ3 LYS A 17 12.320 -4.531 4.468 1.00 61.31 H new ATOM 236 N ARG A 18 8.511 -1.875 11.309 1.00 13.32 N ATOM 237 CA ARG A 18 8.166 -0.515 11.751 1.00 3.00 C ATOM 238 C ARG A 18 9.332 0.451 11.566 1.00 13.00 C ATOM 239 O ARG A 18 9.112 1.613 11.231 1.00 43.02 O ATOM 240 CB ARG A 18 7.652 -0.499 13.205 1.00 62.32 C ATOM 241 CG ARG A 18 8.713 -0.693 14.311 1.00 21.41 C ATOM 242 CD ARG A 18 8.028 -1.120 15.620 1.00 31.12 C ATOM 243 NE ARG A 18 8.957 -1.146 16.764 1.00 44.23 N ATOM 244 CZ ARG A 18 8.704 -1.682 17.965 1.00 14.44 C ATOM 245 NH1 ARG A 18 7.496 -2.172 18.241 1.00 24.20 N ATOM 246 NH2 ARG A 18 9.661 -1.738 18.886 1.00 71.24 N ATOM 0 H ARG A 18 8.330 -2.595 12.008 1.00 13.32 H new ATOM 0 HA ARG A 18 7.351 -0.171 11.113 1.00 3.00 H new ATOM 0 HB2 ARG A 18 7.148 0.452 13.379 1.00 62.32 H new ATOM 0 HB3 ARG A 18 6.901 -1.282 13.311 1.00 62.32 H new ATOM 0 HG2 ARG A 18 9.437 -1.449 14.005 1.00 21.41 H new ATOM 0 HG3 ARG A 18 9.266 0.234 14.464 1.00 21.41 H new ATOM 0 HD2 ARG A 18 7.209 -0.434 15.837 1.00 31.12 H new ATOM 0 HD3 ARG A 18 7.590 -2.109 15.490 1.00 31.12 H new ATOM 0 HE ARG A 18 9.873 -0.718 16.629 1.00 44.23 H new ATOM 0 HH11 ARG A 18 6.759 -2.140 17.536 1.00 24.20 H new ATOM 0 HH12 ARG A 18 7.308 -2.579 19.157 1.00 24.20 H new ATOM 0 HH21 ARG A 18 10.590 -1.372 18.679 1.00 71.24 H new ATOM 0 HH22 ARG A 18 9.466 -2.147 19.800 1.00 71.24 H new ATOM 257 N LYS A 19 10.549 -0.082 11.703 1.00 24.44 N ATOM 258 CA LYS A 19 11.833 0.582 11.567 1.00 14.02 C ATOM 259 C LYS A 19 11.917 1.475 10.333 1.00 15.30 C ATOM 260 O LYS A 19 12.302 2.633 10.426 1.00 4.11 O ATOM 261 CB LYS A 19 12.934 -0.489 11.539 1.00 55.42 C ATOM 262 CG LYS A 19 12.961 -1.379 12.793 1.00 34.20 C ATOM 263 CD LYS A 19 14.385 -1.596 13.312 1.00 21.12 C ATOM 264 CE LYS A 19 14.926 -0.310 13.938 1.00 15.12 C ATOM 265 NZ LYS A 19 15.870 0.419 13.067 1.00 24.12 N ATOM 0 H LYS A 19 10.663 -1.070 11.930 1.00 24.44 H new ATOM 0 HA LYS A 19 11.964 1.245 12.422 1.00 14.02 H new ATOM 0 HB2 LYS A 19 12.794 -1.118 10.660 1.00 55.42 H new ATOM 0 HB3 LYS A 19 13.902 0.000 11.430 1.00 55.42 H new ATOM 0 HG2 LYS A 19 12.356 -0.921 13.575 1.00 34.20 H new ATOM 0 HG3 LYS A 19 12.508 -2.343 12.563 1.00 34.20 H new ATOM 0 HD2 LYS A 19 14.392 -2.398 14.050 1.00 21.12 H new ATOM 0 HD3 LYS A 19 15.033 -1.910 12.494 1.00 21.12 H new ATOM 0 HE2 LYS A 19 14.090 0.345 14.182 1.00 15.12 H new ATOM 0 HE3 LYS A 19 15.424 -0.554 14.876 1.00 15.12 H new ATOM 0 HZ1 LYS A 19 16.625 0.837 13.647 1.00 24.12 H new ATOM 0 HZ2 LYS A 19 16.287 -0.240 12.379 1.00 24.12 H new ATOM 0 HZ3 LYS A 19 15.364 1.174 12.561 1.00 24.12 H new ATOM 275 N SER A 20 11.533 0.930 9.184 1.00 51.21 N ATOM 276 CA SER A 20 11.514 1.625 7.903 1.00 43.43 C ATOM 277 C SER A 20 10.075 1.799 7.419 1.00 51.04 C ATOM 278 O SER A 20 9.858 2.008 6.233 1.00 21.54 O ATOM 279 CB SER A 20 12.420 0.875 6.914 1.00 64.51 C ATOM 280 OG SER A 20 13.763 1.045 7.349 1.00 42.34 O ATOM 0 H SER A 20 11.217 -0.037 9.117 1.00 51.21 H new ATOM 0 HA SER A 20 11.916 2.634 7.999 1.00 43.43 H new ATOM 0 HB2 SER A 20 12.159 -0.183 6.882 1.00 64.51 H new ATOM 0 HB3 SER A 20 12.292 1.266 5.905 1.00 64.51 H new ATOM 0 HG SER A 20 14.367 0.575 6.737 1.00 42.34 H new ATOM 285 N ARG A 21 9.083 1.682 8.319 1.00 14.13 N ATOM 286 CA ARG A 21 7.652 1.800 8.040 1.00 73.42 C ATOM 287 C ARG A 21 7.249 1.046 6.774 1.00 52.42 C ATOM 288 O ARG A 21 6.568 1.569 5.889 1.00 63.53 O ATOM 289 CB ARG A 21 7.168 3.239 8.169 1.00 12.34 C ATOM 290 CG ARG A 21 7.836 4.216 7.206 1.00 24.10 C ATOM 291 CD ARG A 21 7.089 5.535 7.303 1.00 41.22 C ATOM 292 NE ARG A 21 7.307 6.279 6.057 1.00 34.41 N ATOM 293 CZ ARG A 21 8.371 7.032 5.764 1.00 33.40 C ATOM 294 NH1 ARG A 21 9.045 7.642 6.734 1.00 64.44 N ATOM 295 NH2 ARG A 21 8.759 7.136 4.501 1.00 62.22 N ATOM 0 H ARG A 21 9.272 1.494 9.304 1.00 14.13 H new ATOM 0 HA ARG A 21 7.094 1.279 8.818 1.00 73.42 H new ATOM 0 HB2 ARG A 21 6.091 3.264 8.004 1.00 12.34 H new ATOM 0 HB3 ARG A 21 7.342 3.578 9.190 1.00 12.34 H new ATOM 0 HG2 ARG A 21 8.887 4.350 7.464 1.00 24.10 H new ATOM 0 HG3 ARG A 21 7.804 3.832 6.187 1.00 24.10 H new ATOM 0 HD2 ARG A 21 6.025 5.358 7.459 1.00 41.22 H new ATOM 0 HD3 ARG A 21 7.445 6.111 8.157 1.00 41.22 H new ATOM 0 HE ARG A 21 6.577 6.215 5.347 1.00 34.41 H new ATOM 0 HH11 ARG A 21 8.750 7.536 7.705 1.00 64.44 H new ATOM 0 HH12 ARG A 21 9.857 8.216 6.508 1.00 64.44 H new ATOM 0 HH21 ARG A 21 8.247 6.645 3.768 1.00 62.22 H new ATOM 0 HH22 ARG A 21 9.569 7.707 4.262 1.00 62.22 H new ATOM 306 N GLN A 22 7.669 -0.212 6.698 1.00 1.13 N ATOM 307 CA GLN A 22 7.526 -1.031 5.509 1.00 53.01 C ATOM 308 C GLN A 22 6.901 -2.374 5.888 1.00 32.32 C ATOM 309 O GLN A 22 6.973 -2.799 7.049 1.00 13.03 O ATOM 310 CB GLN A 22 8.913 -1.172 4.857 1.00 2.00 C ATOM 311 CG GLN A 22 9.160 -0.053 3.835 1.00 75.11 C ATOM 312 CD GLN A 22 10.608 0.052 3.364 1.00 74.15 C ATOM 313 OE1 GLN A 22 11.207 -1.040 2.921 1.00 42.42 O flip ATOM 314 NE2 GLN A 22 11.201 1.122 3.338 1.00 43.03 N flip ATOM 0 H GLN A 22 8.124 -0.694 7.473 1.00 1.13 H new ATOM 0 HA GLN A 22 6.857 -0.572 4.781 1.00 53.01 H new ATOM 0 HB2 GLN A 22 9.685 -1.143 5.626 1.00 2.00 H new ATOM 0 HB3 GLN A 22 8.990 -2.142 4.365 1.00 2.00 H new ATOM 0 HG2 GLN A 22 8.519 -0.218 2.969 1.00 75.11 H new ATOM 0 HG3 GLN A 22 8.862 0.899 4.275 1.00 75.11 H new ATOM 0 HE21 GLN A 22 10.743 1.967 3.679 1.00 43.03 H new ATOM 0 HE22 GLN A 22 12.153 1.169 2.976 1.00 43.03 H new ATOM 321 N LEU A 23 6.323 -3.056 4.899 1.00 64.52 N ATOM 322 CA LEU A 23 5.668 -4.357 5.023 1.00 23.34 C ATOM 323 C LEU A 23 6.240 -5.280 3.977 1.00 52.12 C ATOM 324 O LEU A 23 6.481 -4.849 2.852 1.00 55.12 O ATOM 325 CB LEU A 23 4.125 -4.228 4.879 1.00 24.53 C ATOM 326 CG LEU A 23 3.337 -5.562 4.935 1.00 40.24 C ATOM 327 CD1 LEU A 23 1.935 -5.415 5.538 1.00 44.02 C ATOM 328 CD2 LEU A 23 3.105 -6.146 3.550 1.00 43.12 C ATOM 0 H LEU A 23 6.298 -2.698 3.944 1.00 64.52 H new ATOM 0 HA LEU A 23 5.856 -4.768 6.015 1.00 23.34 H new ATOM 0 HB2 LEU A 23 3.757 -3.575 5.670 1.00 24.53 H new ATOM 0 HB3 LEU A 23 3.906 -3.736 3.932 1.00 24.53 H new ATOM 0 HG LEU A 23 3.963 -6.203 5.555 1.00 40.24 H new ATOM 0 HD11 LEU A 23 1.439 -6.386 5.547 1.00 44.02 H new ATOM 0 HD12 LEU A 23 2.015 -5.039 6.558 1.00 44.02 H new ATOM 0 HD13 LEU A 23 1.352 -4.716 4.938 1.00 44.02 H new ATOM 0 HD21 LEU A 23 2.550 -7.080 3.637 1.00 43.12 H new ATOM 0 HD22 LEU A 23 2.534 -5.439 2.948 1.00 43.12 H new ATOM 0 HD23 LEU A 23 4.065 -6.338 3.071 1.00 43.12 H new ATOM 339 N GLU A 24 6.447 -6.536 4.351 1.00 0.13 N ATOM 340 CA GLU A 24 6.957 -7.582 3.478 1.00 2.14 C ATOM 341 C GLU A 24 5.866 -8.595 3.179 1.00 44.41 C ATOM 342 O GLU A 24 5.016 -8.864 4.032 1.00 60.34 O ATOM 343 CB GLU A 24 8.102 -8.350 4.141 1.00 13.04 C ATOM 344 CG GLU A 24 9.231 -7.412 4.520 1.00 43.04 C ATOM 345 CD GLU A 24 10.462 -8.159 5.018 1.00 61.45 C ATOM 346 OE1 GLU A 24 10.417 -8.709 6.140 1.00 31.51 O ATOM 347 OE2 GLU A 24 11.541 -8.014 4.394 1.00 52.21 O ATOM 0 H GLU A 24 6.259 -6.863 5.299 1.00 0.13 H new ATOM 0 HA GLU A 24 7.306 -7.093 2.569 1.00 2.14 H new ATOM 0 HB2 GLU A 24 7.735 -8.863 5.030 1.00 13.04 H new ATOM 0 HB3 GLU A 24 8.473 -9.117 3.461 1.00 13.04 H new ATOM 0 HG2 GLU A 24 9.502 -6.806 3.656 1.00 43.04 H new ATOM 0 HG3 GLU A 24 8.886 -6.727 5.295 1.00 43.04 H new ATOM 352 N ILE A 25 5.956 -9.181 1.991 1.00 1.04 N ATOM 353 CA ILE A 25 4.983 -10.098 1.410 1.00 15.13 C ATOM 354 C ILE A 25 5.751 -11.259 0.804 1.00 43.33 C ATOM 355 O ILE A 25 6.739 -11.030 0.105 1.00 51.34 O ATOM 356 CB ILE A 25 4.182 -9.360 0.313 1.00 24.52 C ATOM 357 CG1 ILE A 25 3.401 -8.212 0.966 1.00 63.32 C ATOM 358 CG2 ILE A 25 3.206 -10.272 -0.451 1.00 0.20 C ATOM 359 CD1 ILE A 25 2.668 -7.263 0.046 1.00 51.25 C ATOM 0 H ILE A 25 6.752 -9.021 1.374 1.00 1.04 H new ATOM 0 HA ILE A 25 4.286 -10.461 2.165 1.00 15.13 H new ATOM 0 HB ILE A 25 4.899 -8.991 -0.420 1.00 24.52 H new ATOM 0 HG12 ILE A 25 2.674 -8.646 1.652 1.00 63.32 H new ATOM 0 HG13 ILE A 25 4.098 -7.628 1.567 1.00 63.32 H new ATOM 0 HG21 ILE A 25 2.678 -9.689 -1.205 1.00 0.20 H new ATOM 0 HG22 ILE A 25 3.762 -11.074 -0.936 1.00 0.20 H new ATOM 0 HG23 ILE A 25 2.486 -10.700 0.247 1.00 0.20 H new ATOM 0 HD11 ILE A 25 2.160 -6.502 0.638 1.00 51.25 H new ATOM 0 HD12 ILE A 25 3.381 -6.784 -0.626 1.00 51.25 H new ATOM 0 HD13 ILE A 25 1.934 -7.817 -0.539 1.00 51.25 H new ATOM 370 N SER A 26 5.239 -12.474 0.982 1.00 74.13 N ATOM 371 CA SER A 26 5.698 -13.676 0.310 1.00 60.41 C ATOM 372 C SER A 26 4.510 -14.349 -0.364 1.00 34.52 C ATOM 373 O SER A 26 3.371 -14.202 0.089 1.00 23.32 O ATOM 374 CB SER A 26 6.376 -14.554 1.364 1.00 21.52 C ATOM 375 OG SER A 26 6.958 -15.737 0.857 1.00 71.35 O ATOM 0 H SER A 26 4.465 -12.650 1.623 1.00 74.13 H new ATOM 0 HA SER A 26 6.423 -13.468 -0.477 1.00 60.41 H new ATOM 0 HB2 SER A 26 7.149 -13.969 1.863 1.00 21.52 H new ATOM 0 HB3 SER A 26 5.640 -14.822 2.122 1.00 21.52 H new ATOM 0 HG SER A 26 7.370 -16.239 1.591 1.00 71.35 H new ATOM 380 N PHE A 27 4.774 -15.095 -1.433 1.00 63.54 N ATOM 381 CA PHE A 27 3.769 -15.738 -2.270 1.00 32.44 C ATOM 382 C PHE A 27 4.072 -17.220 -2.424 1.00 51.02 C ATOM 383 O PHE A 27 5.239 -17.611 -2.516 1.00 51.44 O ATOM 384 CB PHE A 27 3.759 -15.101 -3.667 1.00 11.20 C ATOM 385 CG PHE A 27 2.909 -13.861 -3.848 1.00 54.24 C ATOM 386 CD1 PHE A 27 1.556 -13.881 -3.477 1.00 51.22 C ATOM 387 CD2 PHE A 27 3.409 -12.741 -4.529 1.00 4.03 C ATOM 388 CE1 PHE A 27 0.704 -12.802 -3.753 1.00 51.02 C ATOM 389 CE2 PHE A 27 2.549 -11.679 -4.840 1.00 12.04 C ATOM 390 CZ PHE A 27 1.203 -11.687 -4.441 1.00 34.12 C ATOM 0 H PHE A 27 5.727 -15.274 -1.750 1.00 63.54 H new ATOM 0 HA PHE A 27 2.799 -15.608 -1.790 1.00 32.44 H new ATOM 0 HB2 PHE A 27 4.786 -14.850 -3.933 1.00 11.20 H new ATOM 0 HB3 PHE A 27 3.419 -15.852 -4.380 1.00 11.20 H new ATOM 0 HD1 PHE A 27 1.162 -14.747 -2.967 1.00 51.22 H new ATOM 0 HD2 PHE A 27 4.450 -12.697 -4.812 1.00 4.03 H new ATOM 0 HE1 PHE A 27 -0.329 -12.830 -3.438 1.00 51.02 H new ATOM 0 HE2 PHE A 27 2.930 -10.837 -5.398 1.00 12.04 H new ATOM 0 HZ PHE A 27 0.561 -10.847 -4.661 1.00 34.12 H new ATOM 399 N ASP A 28 3.018 -18.031 -2.584 1.00 35.50 N ATOM 400 CA ASP A 28 3.159 -19.489 -2.615 1.00 62.25 C ATOM 401 C ASP A 28 3.986 -19.936 -3.822 1.00 0.32 C ATOM 402 O ASP A 28 4.707 -20.936 -3.769 1.00 35.42 O ATOM 403 CB ASP A 28 1.779 -20.154 -2.677 1.00 64.44 C ATOM 404 CG ASP A 28 1.850 -21.630 -2.299 1.00 32.10 C ATOM 405 OD1 ASP A 28 1.730 -21.950 -1.091 1.00 12.21 O ATOM 406 OD2 ASP A 28 1.929 -22.506 -3.184 1.00 41.42 O ATOM 0 H ASP A 28 2.059 -17.700 -2.694 1.00 35.50 H new ATOM 0 HA ASP A 28 3.673 -19.793 -1.703 1.00 62.25 H new ATOM 0 HB2 ASP A 28 1.095 -19.638 -2.003 1.00 64.44 H new ATOM 0 HB3 ASP A 28 1.371 -20.055 -3.683 1.00 64.44 H new ATOM 410 N ASN A 29 3.906 -19.158 -4.907 1.00 13.13 N ATOM 411 CA ASN A 29 4.556 -19.454 -6.176 1.00 4.03 C ATOM 412 C ASN A 29 6.079 -19.356 -6.100 1.00 44.04 C ATOM 413 O ASN A 29 6.741 -19.982 -6.925 1.00 44.12 O ATOM 414 CB ASN A 29 4.024 -18.557 -7.309 1.00 12.24 C ATOM 415 CG ASN A 29 4.840 -17.285 -7.527 1.00 4.11 C ATOM 416 OD1 ASN A 29 4.593 -16.219 -6.786 1.00 24.13 O flip ATOM 417 ND2 ASN A 29 5.708 -17.236 -8.384 1.00 60.41 N flip ATOM 0 H ASN A 29 3.375 -18.287 -4.921 1.00 13.13 H new ATOM 0 HA ASN A 29 4.306 -20.491 -6.402 1.00 4.03 H new ATOM 0 HB2 ASN A 29 4.009 -19.130 -8.236 1.00 12.24 H new ATOM 0 HB3 ASN A 29 2.993 -18.282 -7.087 1.00 12.24 H new ATOM 0 HD21 ASN A 29 5.904 -18.055 -8.959 1.00 60.41 H new ATOM 0 HD22 ASN A 29 6.238 -16.376 -8.525 1.00 60.41 H new ATOM 423 N GLY A 30 6.614 -18.603 -5.133 1.00 0.02 N ATOM 424 CA GLY A 30 8.015 -18.226 -5.087 1.00 4.12 C ATOM 425 C GLY A 30 8.196 -16.804 -5.610 1.00 34.31 C ATOM 426 O GLY A 30 8.774 -16.598 -6.675 1.00 35.20 O ATOM 0 H GLY A 30 6.070 -18.237 -4.352 1.00 0.02 H new ATOM 0 HA2 GLY A 30 8.384 -18.295 -4.064 1.00 4.12 H new ATOM 0 HA3 GLY A 30 8.605 -18.919 -5.686 1.00 4.12 H new ATOM 430 N GLN A 31 7.671 -15.822 -4.870 1.00 54.35 N ATOM 431 CA GLN A 31 8.049 -14.415 -4.930 1.00 15.33 C ATOM 432 C GLN A 31 8.087 -13.839 -3.514 1.00 22.11 C ATOM 433 O GLN A 31 7.507 -14.445 -2.604 1.00 60.13 O ATOM 434 CB GLN A 31 7.070 -13.624 -5.825 1.00 43.45 C ATOM 435 CG GLN A 31 7.450 -13.745 -7.297 1.00 4.40 C ATOM 436 CD GLN A 31 8.874 -13.230 -7.546 1.00 62.33 C ATOM 437 OE1 GLN A 31 9.372 -12.343 -6.858 1.00 63.22 O ATOM 438 NE2 GLN A 31 9.618 -13.810 -8.459 1.00 75.41 N ATOM 0 H GLN A 31 6.938 -15.999 -4.183 1.00 54.35 H new ATOM 0 HA GLN A 31 9.041 -14.328 -5.373 1.00 15.33 H new ATOM 0 HB2 GLN A 31 6.056 -13.995 -5.677 1.00 43.45 H new ATOM 0 HB3 GLN A 31 7.071 -12.574 -5.531 1.00 43.45 H new ATOM 0 HG2 GLN A 31 7.377 -14.787 -7.610 1.00 4.40 H new ATOM 0 HG3 GLN A 31 6.744 -13.179 -7.905 1.00 4.40 H new ATOM 0 HE21 GLN A 31 9.226 -14.549 -9.042 1.00 75.41 H new ATOM 0 HE22 GLN A 31 10.588 -13.521 -8.585 1.00 75.41 H new ATOM 445 N GLN A 32 8.780 -12.703 -3.349 1.00 23.53 N ATOM 446 CA GLN A 32 8.892 -11.944 -2.107 1.00 52.01 C ATOM 447 C GLN A 32 9.183 -10.474 -2.426 1.00 74.15 C ATOM 448 O GLN A 32 9.988 -10.200 -3.317 1.00 12.13 O ATOM 449 CB GLN A 32 9.999 -12.541 -1.215 1.00 51.05 C ATOM 450 CG GLN A 32 9.374 -13.297 -0.042 1.00 41.44 C ATOM 451 CD GLN A 32 10.312 -14.345 0.535 1.00 43.43 C ATOM 452 OE1 GLN A 32 11.246 -14.048 1.279 1.00 61.43 O ATOM 453 NE2 GLN A 32 10.071 -15.608 0.229 1.00 33.24 N ATOM 0 H GLN A 32 9.299 -12.274 -4.115 1.00 23.53 H new ATOM 0 HA GLN A 32 7.950 -12.003 -1.562 1.00 52.01 H new ATOM 0 HB2 GLN A 32 10.625 -13.214 -1.800 1.00 51.05 H new ATOM 0 HB3 GLN A 32 10.646 -11.746 -0.843 1.00 51.05 H new ATOM 0 HG2 GLN A 32 9.100 -12.588 0.739 1.00 41.44 H new ATOM 0 HG3 GLN A 32 8.454 -13.779 -0.372 1.00 41.44 H new ATOM 0 HE21 GLN A 32 9.294 -15.844 -0.389 1.00 33.24 H new ATOM 0 HE22 GLN A 32 10.662 -16.347 0.611 1.00 33.24 H new ATOM 460 N PHE A 33 8.566 -9.525 -1.710 1.00 44.05 N ATOM 461 CA PHE A 33 8.772 -8.087 -1.919 1.00 15.21 C ATOM 462 C PHE A 33 8.385 -7.252 -0.692 1.00 40.45 C ATOM 463 O PHE A 33 7.705 -7.750 0.210 1.00 54.32 O ATOM 464 CB PHE A 33 8.015 -7.621 -3.173 1.00 33.52 C ATOM 465 CG PHE A 33 6.631 -8.172 -3.443 1.00 15.11 C ATOM 466 CD1 PHE A 33 5.551 -7.825 -2.617 1.00 13.20 C ATOM 467 CD2 PHE A 33 6.393 -8.890 -4.627 1.00 51.13 C ATOM 468 CE1 PHE A 33 4.240 -8.133 -3.006 1.00 24.22 C ATOM 469 CE2 PHE A 33 5.083 -9.231 -4.997 1.00 61.42 C ATOM 470 CZ PHE A 33 4.005 -8.833 -4.187 1.00 73.14 C ATOM 0 H PHE A 33 7.904 -9.736 -0.963 1.00 44.05 H new ATOM 0 HA PHE A 33 9.839 -7.928 -2.072 1.00 15.21 H new ATOM 0 HB2 PHE A 33 7.933 -6.535 -3.123 1.00 33.52 H new ATOM 0 HB3 PHE A 33 8.636 -7.854 -4.038 1.00 33.52 H new ATOM 0 HD1 PHE A 33 5.730 -7.320 -1.680 1.00 13.20 H new ATOM 0 HD2 PHE A 33 7.222 -9.181 -5.255 1.00 51.13 H new ATOM 0 HE1 PHE A 33 3.409 -7.826 -2.388 1.00 24.22 H new ATOM 0 HE2 PHE A 33 4.904 -9.796 -5.900 1.00 61.42 H new ATOM 0 HZ PHE A 33 2.993 -9.070 -4.481 1.00 73.14 H new ATOM 479 N THR A 34 8.773 -5.966 -0.671 1.00 34.31 N ATOM 480 CA THR A 34 8.497 -5.024 0.413 1.00 0.02 C ATOM 481 C THR A 34 7.979 -3.661 -0.092 1.00 52.01 C ATOM 482 O THR A 34 8.513 -3.141 -1.063 1.00 72.15 O ATOM 483 CB THR A 34 9.789 -4.789 1.193 1.00 43.12 C ATOM 484 OG1 THR A 34 10.469 -5.975 1.555 1.00 52.42 O ATOM 485 CG2 THR A 34 9.529 -4.066 2.509 1.00 1.21 C ATOM 0 H THR A 34 9.303 -5.546 -1.434 1.00 34.31 H new ATOM 0 HA THR A 34 7.717 -5.463 1.035 1.00 0.02 H new ATOM 0 HB THR A 34 10.396 -4.202 0.503 1.00 43.12 H new ATOM 0 HG1 THR A 34 11.285 -5.747 2.048 1.00 52.42 H new ATOM 0 HG21 THR A 34 10.472 -3.917 3.035 1.00 1.21 H new ATOM 0 HG22 THR A 34 9.069 -3.098 2.308 1.00 1.21 H new ATOM 0 HG23 THR A 34 8.860 -4.664 3.127 1.00 1.21 H new ATOM 493 N LEU A 35 6.992 -3.057 0.588 1.00 55.32 N ATOM 494 CA LEU A 35 6.353 -1.768 0.246 1.00 21.21 C ATOM 495 C LEU A 35 6.299 -0.854 1.462 1.00 71.41 C ATOM 496 O LEU A 35 6.224 -1.326 2.603 1.00 64.33 O ATOM 497 CB LEU A 35 4.893 -1.996 -0.160 1.00 22.20 C ATOM 498 CG LEU A 35 4.683 -2.149 -1.666 1.00 13.34 C ATOM 499 CD1 LEU A 35 3.463 -3.036 -1.898 1.00 72.11 C ATOM 500 CD2 LEU A 35 4.441 -0.791 -2.308 1.00 42.24 C ATOM 0 H LEU A 35 6.596 -3.470 1.432 1.00 55.32 H new ATOM 0 HA LEU A 35 6.939 -1.326 -0.560 1.00 21.21 H new ATOM 0 HB2 LEU A 35 4.523 -2.891 0.341 1.00 22.20 H new ATOM 0 HB3 LEU A 35 4.292 -1.159 0.197 1.00 22.20 H new ATOM 0 HG LEU A 35 5.572 -2.595 -2.112 1.00 13.34 H new ATOM 0 HD11 LEU A 35 3.299 -3.156 -2.969 1.00 72.11 H new ATOM 0 HD12 LEU A 35 3.632 -4.013 -1.445 1.00 72.11 H new ATOM 0 HD13 LEU A 35 2.586 -2.574 -1.446 1.00 72.11 H new ATOM 0 HD21 LEU A 35 4.293 -0.917 -3.381 1.00 42.24 H new ATOM 0 HD22 LEU A 35 3.553 -0.335 -1.870 1.00 42.24 H new ATOM 0 HD23 LEU A 35 5.303 -0.147 -2.134 1.00 42.24 H new ATOM 511 N SER A 36 6.217 0.449 1.213 1.00 0.34 N ATOM 512 CA SER A 36 6.034 1.470 2.235 1.00 64.33 C ATOM 513 C SER A 36 4.571 1.591 2.665 1.00 14.40 C ATOM 514 O SER A 36 3.649 1.470 1.855 1.00 21.10 O ATOM 515 CB SER A 36 6.462 2.825 1.680 1.00 22.40 C ATOM 516 OG SER A 36 7.771 3.193 2.071 1.00 11.43 O ATOM 0 H SER A 36 6.278 0.833 0.270 1.00 0.34 H new ATOM 0 HA SER A 36 6.637 1.178 3.095 1.00 64.33 H new ATOM 0 HB2 SER A 36 6.407 2.800 0.592 1.00 22.40 H new ATOM 0 HB3 SER A 36 5.760 3.588 2.017 1.00 22.40 H new ATOM 0 HG SER A 36 7.787 4.144 2.307 1.00 11.43 H new ATOM 521 N CYS A 37 4.377 1.928 3.942 1.00 75.22 N ATOM 522 CA CYS A 37 3.079 2.219 4.541 1.00 14.44 C ATOM 523 C CYS A 37 2.355 3.392 3.881 1.00 0.11 C ATOM 524 O CYS A 37 1.133 3.360 3.761 1.00 32.10 O ATOM 525 CB CYS A 37 3.267 2.556 6.020 1.00 74.45 C ATOM 526 SG CYS A 37 3.725 1.054 6.923 1.00 44.31 S ATOM 0 H CYS A 37 5.147 2.008 4.607 1.00 75.22 H new ATOM 0 HA CYS A 37 2.469 1.327 4.399 1.00 14.44 H new ATOM 0 HB2 CYS A 37 4.041 3.314 6.136 1.00 74.45 H new ATOM 0 HB3 CYS A 37 2.347 2.974 6.429 1.00 74.45 H new ATOM 0 HG CYS A 37 4.473 1.369 7.938 1.00 44.31 H new ATOM 531 N GLU A 38 3.079 4.444 3.504 1.00 0.11 N ATOM 532 CA GLU A 38 2.505 5.643 2.920 1.00 2.24 C ATOM 533 C GLU A 38 1.747 5.288 1.635 1.00 71.21 C ATOM 534 O GLU A 38 0.548 5.545 1.547 1.00 53.24 O ATOM 535 CB GLU A 38 3.588 6.716 2.701 1.00 42.45 C ATOM 536 CG GLU A 38 4.911 6.293 2.026 1.00 53.14 C ATOM 537 CD GLU A 38 5.985 5.778 2.991 1.00 33.33 C ATOM 538 OE1 GLU A 38 5.653 5.257 4.077 1.00 12.41 O ATOM 539 OE2 GLU A 38 7.183 5.788 2.623 1.00 61.11 O ATOM 0 H GLU A 38 4.094 4.483 3.599 1.00 0.11 H new ATOM 0 HA GLU A 38 1.782 6.075 3.612 1.00 2.24 H new ATOM 0 HB2 GLU A 38 3.149 7.514 2.102 1.00 42.45 H new ATOM 0 HB3 GLU A 38 3.833 7.145 3.673 1.00 42.45 H new ATOM 0 HG2 GLU A 38 4.697 5.515 1.293 1.00 53.14 H new ATOM 0 HG3 GLU A 38 5.313 7.145 1.478 1.00 53.14 H new ATOM 544 N LEU A 39 2.429 4.628 0.690 1.00 51.22 N ATOM 545 CA LEU A 39 1.906 4.207 -0.610 1.00 63.42 C ATOM 546 C LEU A 39 0.677 3.317 -0.415 1.00 63.44 C ATOM 547 O LEU A 39 -0.340 3.488 -1.087 1.00 64.22 O ATOM 548 CB LEU A 39 3.008 3.467 -1.398 1.00 75.22 C ATOM 549 CG LEU A 39 2.709 3.360 -2.911 1.00 62.13 C ATOM 550 CD1 LEU A 39 2.973 4.689 -3.623 1.00 40.05 C ATOM 551 CD2 LEU A 39 3.578 2.271 -3.555 1.00 20.34 C ATOM 0 H LEU A 39 3.405 4.362 0.820 1.00 51.22 H new ATOM 0 HA LEU A 39 1.602 5.083 -1.183 1.00 63.42 H new ATOM 0 HB2 LEU A 39 3.956 3.986 -1.258 1.00 75.22 H new ATOM 0 HB3 LEU A 39 3.129 2.465 -0.987 1.00 75.22 H new ATOM 0 HG LEU A 39 1.655 3.102 -3.017 1.00 62.13 H new ATOM 0 HD11 LEU A 39 2.754 4.582 -4.685 1.00 40.05 H new ATOM 0 HD12 LEU A 39 2.335 5.463 -3.197 1.00 40.05 H new ATOM 0 HD13 LEU A 39 4.019 4.969 -3.495 1.00 40.05 H new ATOM 0 HD21 LEU A 39 3.354 2.209 -4.620 1.00 20.34 H new ATOM 0 HD22 LEU A 39 4.631 2.518 -3.419 1.00 20.34 H new ATOM 0 HD23 LEU A 39 3.367 1.311 -3.084 1.00 20.34 H new ATOM 562 N LEU A 40 0.764 2.403 0.556 1.00 24.34 N ATOM 563 CA LEU A 40 -0.323 1.529 0.978 1.00 71.33 C ATOM 564 C LEU A 40 -1.558 2.324 1.375 1.00 35.43 C ATOM 565 O LEU A 40 -2.647 2.001 0.906 1.00 73.11 O ATOM 566 CB LEU A 40 0.153 0.636 2.144 1.00 1.02 C ATOM 567 CG LEU A 40 0.551 -0.802 1.779 1.00 13.03 C ATOM 568 CD1 LEU A 40 1.217 -0.930 0.413 1.00 60.52 C ATOM 569 CD2 LEU A 40 1.478 -1.362 2.873 1.00 4.30 C ATOM 0 H LEU A 40 1.623 2.250 1.084 1.00 24.34 H new ATOM 0 HA LEU A 40 -0.604 0.898 0.135 1.00 71.33 H new ATOM 0 HB2 LEU A 40 1.008 1.118 2.618 1.00 1.02 H new ATOM 0 HB3 LEU A 40 -0.642 0.593 2.889 1.00 1.02 H new ATOM 0 HG LEU A 40 -0.371 -1.380 1.717 1.00 13.03 H new ATOM 0 HD11 LEU A 40 1.469 -1.974 0.227 1.00 60.52 H new ATOM 0 HD12 LEU A 40 0.533 -0.579 -0.360 1.00 60.52 H new ATOM 0 HD13 LEU A 40 2.126 -0.329 0.394 1.00 60.52 H new ATOM 0 HD21 LEU A 40 1.764 -2.383 2.620 1.00 4.30 H new ATOM 0 HD22 LEU A 40 2.372 -0.742 2.945 1.00 4.30 H new ATOM 0 HD23 LEU A 40 0.955 -1.358 3.830 1.00 4.30 H new ATOM 580 N ARG A 41 -1.436 3.316 2.262 1.00 75.51 N ATOM 581 CA ARG A 41 -2.612 4.046 2.742 1.00 44.13 C ATOM 582 C ARG A 41 -3.287 4.741 1.568 1.00 3.20 C ATOM 583 O ARG A 41 -4.510 4.674 1.455 1.00 72.12 O ATOM 584 CB ARG A 41 -2.229 5.025 3.874 1.00 20.13 C ATOM 585 CG ARG A 41 -3.382 5.428 4.821 1.00 43.25 C ATOM 586 CD ARG A 41 -4.577 6.131 4.155 1.00 14.02 C ATOM 587 NE ARG A 41 -5.427 6.828 5.133 1.00 0.14 N ATOM 588 CZ ARG A 41 -6.571 7.484 4.887 1.00 64.43 C ATOM 589 NH1 ARG A 41 -7.112 7.538 3.677 1.00 1.31 N ATOM 590 NH2 ARG A 41 -7.165 8.121 5.881 1.00 0.40 N ATOM 0 H ARG A 41 -0.549 3.628 2.657 1.00 75.51 H new ATOM 0 HA ARG A 41 -3.328 3.347 3.174 1.00 44.13 H new ATOM 0 HB2 ARG A 41 -1.435 4.574 4.468 1.00 20.13 H new ATOM 0 HB3 ARG A 41 -1.817 5.929 3.425 1.00 20.13 H new ATOM 0 HG2 ARG A 41 -3.745 4.531 5.323 1.00 43.25 H new ATOM 0 HG3 ARG A 41 -2.981 6.085 5.593 1.00 43.25 H new ATOM 0 HD2 ARG A 41 -4.211 6.847 3.419 1.00 14.02 H new ATOM 0 HD3 ARG A 41 -5.174 5.396 3.616 1.00 14.02 H new ATOM 0 HE ARG A 41 -5.112 6.811 6.103 1.00 0.14 H new ATOM 0 HH11 ARG A 41 -6.656 7.070 2.893 1.00 1.31 H new ATOM 0 HH12 ARG A 41 -7.984 8.047 3.530 1.00 1.31 H new ATOM 0 HH21 ARG A 41 -6.753 8.108 6.814 1.00 0.40 H new ATOM 0 HH22 ARG A 41 -8.036 8.626 5.715 1.00 0.40 H new ATOM 601 N VAL A 42 -2.525 5.457 0.741 1.00 4.31 N ATOM 602 CA VAL A 42 -3.114 6.340 -0.251 1.00 52.32 C ATOM 603 C VAL A 42 -3.909 5.541 -1.290 1.00 15.04 C ATOM 604 O VAL A 42 -5.121 5.741 -1.393 1.00 43.13 O ATOM 605 CB VAL A 42 -2.055 7.298 -0.832 1.00 0.00 C ATOM 606 CG1 VAL A 42 -1.416 8.137 0.294 1.00 55.11 C ATOM 607 CG2 VAL A 42 -0.917 6.629 -1.596 1.00 31.11 C ATOM 0 H VAL A 42 -1.505 5.440 0.742 1.00 4.31 H new ATOM 0 HA VAL A 42 -3.848 6.990 0.225 1.00 52.32 H new ATOM 0 HB VAL A 42 -2.612 7.906 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.670 8.809 -0.131 1.00 55.11 H new ATOM 0 HG12 VAL A 42 -2.188 8.722 0.795 1.00 55.11 H new ATOM 0 HG13 VAL A 42 -0.938 7.474 1.015 1.00 55.11 H new ATOM 0 HG21 VAL A 42 -0.228 7.390 -1.963 1.00 31.11 H new ATOM 0 HG22 VAL A 42 -0.385 5.947 -0.933 1.00 31.11 H new ATOM 0 HG23 VAL A 42 -1.324 6.071 -2.439 1.00 31.11 H new ATOM 617 N TYR A 43 -3.274 4.585 -1.979 1.00 2.11 N ATOM 618 CA TYR A 43 -3.820 3.879 -3.137 1.00 32.43 C ATOM 619 C TYR A 43 -4.858 2.807 -2.722 1.00 64.12 C ATOM 620 O TYR A 43 -4.967 1.763 -3.366 1.00 1.22 O ATOM 621 CB TYR A 43 -2.665 3.302 -4.008 1.00 22.11 C ATOM 622 CG TYR A 43 -2.281 4.118 -5.236 1.00 64.11 C ATOM 623 CD1 TYR A 43 -3.269 4.623 -6.105 1.00 43.01 C ATOM 624 CD2 TYR A 43 -0.927 4.330 -5.560 1.00 15.04 C ATOM 625 CE1 TYR A 43 -2.923 5.384 -7.236 1.00 63.11 C ATOM 626 CE2 TYR A 43 -0.576 5.061 -6.714 1.00 15.12 C ATOM 627 CZ TYR A 43 -1.568 5.614 -7.547 1.00 13.21 C ATOM 628 OH TYR A 43 -1.198 6.345 -8.633 1.00 33.24 O ATOM 0 H TYR A 43 -2.334 4.274 -1.735 1.00 2.11 H new ATOM 0 HA TYR A 43 -4.367 4.592 -3.753 1.00 32.43 H new ATOM 0 HB2 TYR A 43 -1.782 3.193 -3.378 1.00 22.11 H new ATOM 0 HB3 TYR A 43 -2.949 2.302 -4.335 1.00 22.11 H new ATOM 0 HD1 TYR A 43 -4.310 4.422 -5.899 1.00 43.01 H new ATOM 0 HD2 TYR A 43 -0.153 3.931 -4.921 1.00 15.04 H new ATOM 0 HE1 TYR A 43 -3.698 5.793 -7.868 1.00 63.11 H new ATOM 0 HE2 TYR A 43 0.466 5.198 -6.962 1.00 15.12 H new ATOM 0 HH TYR A 43 -0.220 6.392 -8.678 1.00 33.24 H new ATOM 637 N SER A 44 -5.594 2.985 -1.618 1.00 11.20 N ATOM 638 CA SER A 44 -6.595 2.006 -1.201 1.00 22.20 C ATOM 639 C SER A 44 -7.635 1.864 -2.331 1.00 12.10 C ATOM 640 O SER A 44 -8.079 2.877 -2.878 1.00 32.32 O ATOM 641 CB SER A 44 -7.243 2.511 0.103 1.00 63.25 C ATOM 642 OG SER A 44 -8.195 1.622 0.668 1.00 55.02 O ATOM 0 H SER A 44 -5.513 3.795 -1.003 1.00 11.20 H new ATOM 0 HA SER A 44 -6.152 1.027 -1.015 1.00 22.20 H new ATOM 0 HB2 SER A 44 -6.458 2.697 0.836 1.00 63.25 H new ATOM 0 HB3 SER A 44 -7.729 3.467 -0.093 1.00 63.25 H new ATOM 0 HG SER A 44 -8.558 2.011 1.491 1.00 55.02 H new ATOM 647 N PRO A 45 -8.166 0.660 -2.595 1.00 53.44 N ATOM 648 CA PRO A 45 -9.245 0.480 -3.555 1.00 12.32 C ATOM 649 C PRO A 45 -10.543 1.147 -3.102 1.00 24.43 C ATOM 650 O PRO A 45 -11.366 1.502 -3.941 1.00 21.40 O ATOM 651 CB PRO A 45 -9.426 -1.025 -3.728 1.00 51.04 C ATOM 652 CG PRO A 45 -8.668 -1.662 -2.566 1.00 14.22 C ATOM 653 CD PRO A 45 -7.642 -0.610 -2.148 1.00 31.23 C ATOM 0 HA PRO A 45 -8.991 0.958 -4.501 1.00 12.32 H new ATOM 0 HB2 PRO A 45 -10.481 -1.299 -3.706 1.00 51.04 H new ATOM 0 HB3 PRO A 45 -9.030 -1.361 -4.686 1.00 51.04 H new ATOM 0 HG2 PRO A 45 -9.339 -1.909 -1.743 1.00 14.22 H new ATOM 0 HG3 PRO A 45 -8.183 -2.589 -2.871 1.00 14.22 H new ATOM 0 HD2 PRO A 45 -7.498 -0.614 -1.068 1.00 31.23 H new ATOM 0 HD3 PRO A 45 -6.671 -0.812 -2.600 1.00 31.23 H new ATOM 658 N SER A 46 -10.713 1.393 -1.800 1.00 72.23 N ATOM 659 CA SER A 46 -11.806 2.178 -1.236 1.00 61.34 C ATOM 660 C SER A 46 -11.681 3.682 -1.560 1.00 23.33 C ATOM 661 O SER A 46 -12.345 4.501 -0.923 1.00 72.12 O ATOM 662 CB SER A 46 -11.837 1.891 0.269 1.00 11.44 C ATOM 663 OG SER A 46 -13.038 2.339 0.864 1.00 60.53 O ATOM 0 H SER A 46 -10.072 1.039 -1.090 1.00 72.23 H new ATOM 0 HA SER A 46 -12.754 1.886 -1.688 1.00 61.34 H new ATOM 0 HB2 SER A 46 -11.726 0.820 0.437 1.00 11.44 H new ATOM 0 HB3 SER A 46 -10.989 2.379 0.750 1.00 11.44 H new ATOM 0 HG SER A 46 -13.271 3.221 0.507 1.00 60.53 H new ATOM 668 N ALA A 47 -10.831 4.049 -2.519 1.00 12.10 N ATOM 669 CA ALA A 47 -10.637 5.388 -3.032 1.00 2.21 C ATOM 670 C ALA A 47 -11.046 5.371 -4.506 1.00 11.01 C ATOM 671 O ALA A 47 -12.046 5.978 -4.891 1.00 11.33 O ATOM 672 CB ALA A 47 -9.174 5.799 -2.824 1.00 20.10 C ATOM 0 H ALA A 47 -10.226 3.370 -2.981 1.00 12.10 H new ATOM 0 HA ALA A 47 -11.246 6.126 -2.510 1.00 2.21 H new ATOM 0 HB1 ALA A 47 -9.021 6.807 -3.209 1.00 20.10 H new ATOM 0 HB2 ALA A 47 -8.938 5.777 -1.760 1.00 20.10 H new ATOM 0 HB3 ALA A 47 -8.522 5.105 -3.355 1.00 20.10 H new ATOM 678 N GLU A 48 -10.309 4.621 -5.325 1.00 62.52 N ATOM 679 CA GLU A 48 -10.455 4.500 -6.775 1.00 60.52 C ATOM 680 C GLU A 48 -11.551 3.491 -7.151 1.00 74.55 C ATOM 681 O GLU A 48 -11.353 2.597 -7.981 1.00 60.23 O ATOM 682 CB GLU A 48 -9.071 4.189 -7.376 1.00 34.10 C ATOM 683 CG GLU A 48 -8.232 5.478 -7.385 1.00 12.12 C ATOM 684 CD GLU A 48 -6.718 5.259 -7.375 1.00 0.13 C ATOM 685 OE1 GLU A 48 -6.201 4.328 -8.033 1.00 62.45 O ATOM 686 OE2 GLU A 48 -6.045 6.085 -6.719 1.00 64.24 O ATOM 0 H GLU A 48 -9.545 4.045 -4.971 1.00 62.52 H new ATOM 0 HA GLU A 48 -10.800 5.439 -7.207 1.00 60.52 H new ATOM 0 HB2 GLU A 48 -8.571 3.417 -6.791 1.00 34.10 H new ATOM 0 HB3 GLU A 48 -9.178 3.802 -8.389 1.00 34.10 H new ATOM 0 HG2 GLU A 48 -8.495 6.060 -8.269 1.00 12.12 H new ATOM 0 HG3 GLU A 48 -8.504 6.078 -6.516 1.00 12.12 H new ATOM 691 N VAL A 49 -12.723 3.605 -6.528 1.00 34.30 N ATOM 692 CA VAL A 49 -13.912 2.832 -6.887 1.00 0.23 C ATOM 693 C VAL A 49 -14.494 3.344 -8.213 1.00 63.34 C ATOM 694 O VAL A 49 -15.034 2.563 -8.998 1.00 72.41 O ATOM 695 CB VAL A 49 -14.939 2.921 -5.732 1.00 61.33 C ATOM 696 CG1 VAL A 49 -16.189 2.072 -6.001 1.00 60.52 C ATOM 697 CG2 VAL A 49 -14.334 2.444 -4.403 1.00 55.04 C ATOM 0 H VAL A 49 -12.876 4.245 -5.749 1.00 34.30 H new ATOM 0 HA VAL A 49 -13.650 1.784 -7.033 1.00 0.23 H new ATOM 0 HB VAL A 49 -15.216 3.973 -5.668 1.00 61.33 H new ATOM 0 HG11 VAL A 49 -16.880 2.166 -5.163 1.00 60.52 H new ATOM 0 HG12 VAL A 49 -16.675 2.419 -6.913 1.00 60.52 H new ATOM 0 HG13 VAL A 49 -15.901 1.027 -6.118 1.00 60.52 H new ATOM 0 HG21 VAL A 49 -15.083 2.520 -3.614 1.00 55.04 H new ATOM 0 HG22 VAL A 49 -14.014 1.407 -4.501 1.00 55.04 H new ATOM 0 HG23 VAL A 49 -13.476 3.066 -4.150 1.00 55.04 H new ATOM 707 N HIS A 50 -14.383 4.649 -8.463 1.00 33.54 N ATOM 708 CA HIS A 50 -14.981 5.449 -9.530 1.00 72.44 C ATOM 709 C HIS A 50 -16.515 5.422 -9.622 1.00 20.30 C ATOM 710 O HIS A 50 -17.082 6.296 -10.273 1.00 75.12 O ATOM 711 CB HIS A 50 -14.304 5.162 -10.879 1.00 2.01 C ATOM 712 CG HIS A 50 -14.287 6.360 -11.792 1.00 71.53 C ATOM 713 ND1 HIS A 50 -15.074 6.543 -12.902 1.00 64.15 N ATOM 714 CD2 HIS A 50 -13.495 7.467 -11.658 1.00 54.34 C ATOM 715 CE1 HIS A 50 -14.784 7.745 -13.422 1.00 62.23 C ATOM 716 NE2 HIS A 50 -13.833 8.351 -12.687 1.00 72.13 N ATOM 0 H HIS A 50 -13.809 5.234 -7.856 1.00 33.54 H new ATOM 0 HA HIS A 50 -14.777 6.481 -9.245 1.00 72.44 H new ATOM 0 HB2 HIS A 50 -13.281 4.831 -10.703 1.00 2.01 H new ATOM 0 HB3 HIS A 50 -14.824 4.342 -11.374 1.00 2.01 H new ATOM 0 HD2 HIS A 50 -12.746 7.629 -10.897 1.00 54.34 H new ATOM 0 HE1 HIS A 50 -15.246 8.166 -14.303 1.00 62.23 H new ATOM 0 HE2 HIS A 50 -13.436 9.276 -12.849 1.00 72.13 H new ATOM 723 N GLY A 51 -17.188 4.492 -8.945 1.00 73.31 N ATOM 724 CA GLY A 51 -18.635 4.456 -8.814 1.00 23.42 C ATOM 725 C GLY A 51 -19.039 5.154 -7.527 1.00 71.32 C ATOM 726 O GLY A 51 -19.222 6.367 -7.506 1.00 33.33 O ATOM 0 H GLY A 51 -16.724 3.724 -8.461 1.00 73.31 H new ATOM 0 HA2 GLY A 51 -19.102 4.946 -9.669 1.00 23.42 H new ATOM 0 HA3 GLY A 51 -18.986 3.424 -8.807 1.00 23.42 H new ATOM 730 N HIS A 52 -19.123 4.391 -6.432 1.00 72.23 N ATOM 731 CA HIS A 52 -19.649 4.864 -5.149 1.00 24.43 C ATOM 732 C HIS A 52 -18.779 5.929 -4.464 1.00 73.24 C ATOM 733 O HIS A 52 -19.168 6.454 -3.416 1.00 22.22 O ATOM 734 CB HIS A 52 -19.867 3.672 -4.203 1.00 63.41 C ATOM 735 CG HIS A 52 -21.074 2.817 -4.533 1.00 73.54 C ATOM 736 ND1 HIS A 52 -21.814 2.086 -3.629 1.00 73.25 N ATOM 737 CD2 HIS A 52 -21.628 2.606 -5.772 1.00 11.10 C ATOM 738 CE1 HIS A 52 -22.784 1.451 -4.308 1.00 54.35 C ATOM 739 NE2 HIS A 52 -22.718 1.746 -5.619 1.00 31.21 N ATOM 0 H HIS A 52 -18.824 3.416 -6.413 1.00 72.23 H new ATOM 0 HA HIS A 52 -20.597 5.354 -5.373 1.00 24.43 H new ATOM 0 HB2 HIS A 52 -18.977 3.043 -4.221 1.00 63.41 H new ATOM 0 HB3 HIS A 52 -19.971 4.047 -3.185 1.00 63.41 H new ATOM 0 HD2 HIS A 52 -21.281 3.031 -6.702 1.00 11.10 H new ATOM 0 HE1 HIS A 52 -23.516 0.794 -3.863 1.00 54.35 H new ATOM 0 HE2 HIS A 52 -23.340 1.409 -6.354 1.00 31.21 H new ATOM 746 N GLY A 53 -17.616 6.276 -5.006 1.00 55.03 N ATOM 747 CA GLY A 53 -16.819 7.389 -4.532 1.00 11.30 C ATOM 748 C GLY A 53 -15.862 7.812 -5.636 1.00 34.24 C ATOM 749 O GLY A 53 -15.393 6.988 -6.433 1.00 51.42 O ATOM 0 H GLY A 53 -17.200 5.783 -5.796 1.00 55.03 H new ATOM 0 HA2 GLY A 53 -17.463 8.222 -4.251 1.00 11.30 H new ATOM 0 HA3 GLY A 53 -16.263 7.102 -3.640 1.00 11.30 H new ATOM 753 N ASN A 54 -15.596 9.110 -5.689 1.00 75.53 N ATOM 754 CA ASN A 54 -14.808 9.783 -6.708 1.00 32.42 C ATOM 755 C ASN A 54 -13.334 9.783 -6.303 1.00 3.03 C ATOM 756 O ASN A 54 -13.027 9.626 -5.122 1.00 2.20 O ATOM 757 CB ASN A 54 -15.344 11.211 -6.896 1.00 41.03 C ATOM 758 CG ASN A 54 -15.438 12.012 -5.598 1.00 72.15 C ATOM 759 OD1 ASN A 54 -16.282 11.740 -4.748 1.00 11.44 O ATOM 760 ND2 ASN A 54 -14.611 13.025 -5.429 1.00 21.52 N ATOM 0 H ASN A 54 -15.945 9.756 -4.981 1.00 75.53 H new ATOM 0 HA ASN A 54 -14.891 9.257 -7.659 1.00 32.42 H new ATOM 0 HB2 ASN A 54 -14.697 11.743 -7.594 1.00 41.03 H new ATOM 0 HB3 ASN A 54 -16.332 11.161 -7.353 1.00 41.03 H new ATOM 0 HD21 ASN A 54 -14.667 13.594 -4.584 1.00 21.52 H new ATOM 0 HD22 ASN A 54 -13.915 13.240 -6.143 1.00 21.52 H new ATOM 766 N PRO A 55 -12.402 9.928 -7.260 1.00 43.02 N ATOM 767 CA PRO A 55 -10.980 9.879 -6.955 1.00 55.45 C ATOM 768 C PRO A 55 -10.553 11.154 -6.226 1.00 13.43 C ATOM 769 O PRO A 55 -10.993 12.261 -6.564 1.00 4.20 O ATOM 770 CB PRO A 55 -10.279 9.706 -8.306 1.00 20.54 C ATOM 771 CG PRO A 55 -11.270 10.304 -9.308 1.00 20.31 C ATOM 772 CD PRO A 55 -12.627 9.985 -8.696 1.00 33.51 C ATOM 0 HA PRO A 55 -10.719 9.059 -6.286 1.00 55.45 H new ATOM 0 HB2 PRO A 55 -9.322 10.227 -8.330 1.00 20.54 H new ATOM 0 HB3 PRO A 55 -10.076 8.657 -8.521 1.00 20.54 H new ATOM 0 HG2 PRO A 55 -11.124 11.378 -9.425 1.00 20.31 H new ATOM 0 HG3 PRO A 55 -11.160 9.858 -10.297 1.00 20.31 H new ATOM 0 HD2 PRO A 55 -13.361 10.750 -8.948 1.00 33.51 H new ATOM 0 HD3 PRO A 55 -13.013 9.037 -9.071 1.00 33.51 H new ATOM 777 N VAL A 56 -9.645 11.004 -5.267 1.00 24.10 N ATOM 778 CA VAL A 56 -9.184 12.055 -4.368 1.00 43.32 C ATOM 779 C VAL A 56 -7.657 12.071 -4.425 1.00 4.21 C ATOM 780 O VAL A 56 -7.014 11.030 -4.585 1.00 20.32 O ATOM 781 CB VAL A 56 -9.708 11.778 -2.941 1.00 4.30 C ATOM 782 CG1 VAL A 56 -9.233 12.824 -1.916 1.00 60.23 C ATOM 783 CG2 VAL A 56 -11.245 11.734 -2.898 1.00 61.41 C ATOM 0 H VAL A 56 -9.191 10.108 -5.088 1.00 24.10 H new ATOM 0 HA VAL A 56 -9.562 13.033 -4.664 1.00 43.32 H new ATOM 0 HB VAL A 56 -9.296 10.805 -2.672 1.00 4.30 H new ATOM 0 HG11 VAL A 56 -9.633 12.577 -0.932 1.00 60.23 H new ATOM 0 HG12 VAL A 56 -8.144 12.825 -1.875 1.00 60.23 H new ATOM 0 HG13 VAL A 56 -9.586 13.811 -2.214 1.00 60.23 H new ATOM 0 HG21 VAL A 56 -11.575 11.537 -1.878 1.00 61.41 H new ATOM 0 HG22 VAL A 56 -11.646 12.692 -3.231 1.00 61.41 H new ATOM 0 HG23 VAL A 56 -11.605 10.942 -3.555 1.00 61.41 H new ATOM 793 N LEU A 57 -7.068 13.255 -4.268 1.00 3.42 N ATOM 794 CA LEU A 57 -5.632 13.404 -4.123 1.00 15.13 C ATOM 795 C LEU A 57 -5.265 13.225 -2.655 1.00 1.22 C ATOM 796 O LEU A 57 -5.372 14.174 -1.866 1.00 35.44 O ATOM 797 CB LEU A 57 -5.183 14.757 -4.676 1.00 43.34 C ATOM 798 CG LEU A 57 -3.671 14.989 -4.499 1.00 3.32 C ATOM 799 CD1 LEU A 57 -2.803 13.941 -5.204 1.00 14.42 C ATOM 800 CD2 LEU A 57 -3.345 16.371 -5.056 1.00 31.12 C ATOM 0 H LEU A 57 -7.580 14.137 -4.238 1.00 3.42 H new ATOM 0 HA LEU A 57 -5.109 12.641 -4.699 1.00 15.13 H new ATOM 0 HB2 LEU A 57 -5.436 14.816 -5.735 1.00 43.34 H new ATOM 0 HB3 LEU A 57 -5.732 15.553 -4.172 1.00 43.34 H new ATOM 0 HG LEU A 57 -3.443 14.908 -3.436 1.00 3.32 H new ATOM 0 HD11 LEU A 57 -1.750 14.168 -5.036 1.00 14.42 H new ATOM 0 HD12 LEU A 57 -3.029 12.953 -4.804 1.00 14.42 H new ATOM 0 HD13 LEU A 57 -3.011 13.956 -6.274 1.00 14.42 H new ATOM 0 HD21 LEU A 57 -2.278 16.566 -4.945 1.00 31.12 H new ATOM 0 HD22 LEU A 57 -3.613 16.410 -6.112 1.00 31.12 H new ATOM 0 HD23 LEU A 57 -3.910 17.126 -4.510 1.00 31.12 H new ATOM 811 N VAL A 58 -4.845 12.021 -2.273 1.00 13.23 N ATOM 812 CA VAL A 58 -4.255 11.797 -0.960 1.00 1.33 C ATOM 813 C VAL A 58 -2.776 12.195 -1.037 1.00 24.50 C ATOM 814 O VAL A 58 -2.083 12.023 -2.043 1.00 20.11 O ATOM 815 CB VAL A 58 -4.489 10.356 -0.458 1.00 35.20 C ATOM 816 CG1 VAL A 58 -4.168 10.228 1.044 1.00 0.00 C ATOM 817 CG2 VAL A 58 -5.949 9.924 -0.621 1.00 1.20 C ATOM 0 H VAL A 58 -4.903 11.186 -2.856 1.00 13.23 H new ATOM 0 HA VAL A 58 -4.743 12.420 -0.210 1.00 1.33 H new ATOM 0 HB VAL A 58 -3.832 9.727 -1.059 1.00 35.20 H new ATOM 0 HG11 VAL A 58 -4.343 9.202 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.124 10.490 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.810 10.902 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.070 8.904 -0.256 1.00 1.20 H new ATOM 0 HG22 VAL A 58 -6.592 10.593 -0.049 1.00 1.20 H new ATOM 0 HG23 VAL A 58 -6.226 9.967 -1.674 1.00 1.20 H new ATOM 827 N THR A 59 -2.314 12.777 0.054 1.00 71.11 N ATOM 828 CA THR A 59 -1.072 13.515 0.208 1.00 34.12 C ATOM 829 C THR A 59 0.046 12.624 0.735 1.00 33.21 C ATOM 830 O THR A 59 -0.139 11.405 0.854 1.00 62.51 O ATOM 831 CB THR A 59 -1.414 14.693 1.133 1.00 22.14 C ATOM 832 OG1 THR A 59 -2.337 14.333 2.159 1.00 53.12 O ATOM 833 CG2 THR A 59 -2.060 15.759 0.241 1.00 2.10 C ATOM 0 H THR A 59 -2.840 12.743 0.927 1.00 71.11 H new ATOM 0 HA THR A 59 -0.684 13.883 -0.742 1.00 34.12 H new ATOM 0 HB THR A 59 -0.508 15.040 1.631 1.00 22.14 H new ATOM 0 HG1 THR A 59 -2.522 15.114 2.722 1.00 53.12 H new ATOM 0 HG21 THR A 59 -2.327 16.626 0.845 1.00 2.10 H new ATOM 0 HG22 THR A 59 -1.356 16.060 -0.535 1.00 2.10 H new ATOM 0 HG23 THR A 59 -2.958 15.350 -0.223 1.00 2.10 H new ATOM 841 N HIS A 60 1.229 13.198 1.012 1.00 13.43 N ATOM 842 CA HIS A 60 2.262 12.451 1.725 1.00 40.05 C ATOM 843 C HIS A 60 1.707 12.001 3.089 1.00 4.43 C ATOM 844 O HIS A 60 0.663 12.499 3.547 1.00 12.34 O ATOM 845 CB HIS A 60 3.616 13.200 1.835 1.00 73.11 C ATOM 846 CG HIS A 60 4.310 13.495 0.527 1.00 71.54 C ATOM 847 ND1 HIS A 60 4.663 12.577 -0.436 1.00 14.03 N ATOM 848 CD2 HIS A 60 4.758 14.708 0.089 1.00 12.01 C ATOM 849 CE1 HIS A 60 5.266 13.220 -1.446 1.00 12.21 C ATOM 850 NE2 HIS A 60 5.352 14.535 -1.168 1.00 12.13 N ATOM 0 H HIS A 60 1.484 14.152 0.758 1.00 13.43 H new ATOM 0 HA HIS A 60 2.507 11.568 1.135 1.00 40.05 H new ATOM 0 HB2 HIS A 60 3.447 14.142 2.356 1.00 73.11 H new ATOM 0 HB3 HIS A 60 4.288 12.608 2.456 1.00 73.11 H new ATOM 0 HD1 HIS A 60 4.494 11.572 -0.389 1.00 14.03 H new ATOM 0 HD2 HIS A 60 4.669 15.643 0.622 1.00 12.01 H new ATOM 0 HE1 HIS A 60 5.629 12.753 -2.349 1.00 12.21 H new ATOM 857 N LYS A 61 2.376 11.064 3.758 1.00 23.53 N ATOM 858 CA LYS A 61 1.859 10.462 4.998 1.00 40.31 C ATOM 859 C LYS A 61 2.942 10.555 6.056 1.00 23.50 C ATOM 860 O LYS A 61 3.963 9.876 5.960 1.00 34.51 O ATOM 861 CB LYS A 61 1.481 8.989 4.706 1.00 55.45 C ATOM 862 CG LYS A 61 0.000 8.595 4.769 1.00 63.53 C ATOM 863 CD LYS A 61 -0.859 9.188 3.661 1.00 22.22 C ATOM 864 CE LYS A 61 -1.557 10.459 4.140 1.00 54.25 C ATOM 865 NZ LYS A 61 -2.780 10.204 4.948 1.00 24.43 N ATOM 0 H LYS A 61 3.283 10.700 3.465 1.00 23.53 H new ATOM 0 HA LYS A 61 0.971 10.982 5.358 1.00 40.31 H new ATOM 0 HB2 LYS A 61 1.849 8.742 3.710 1.00 55.45 H new ATOM 0 HB3 LYS A 61 2.023 8.360 5.412 1.00 55.45 H new ATOM 0 HG2 LYS A 61 -0.076 7.508 4.728 1.00 63.53 H new ATOM 0 HG3 LYS A 61 -0.405 8.907 5.732 1.00 63.53 H new ATOM 0 HD2 LYS A 61 -0.238 9.413 2.794 1.00 22.22 H new ATOM 0 HD3 LYS A 61 -1.602 8.458 3.340 1.00 22.22 H new ATOM 0 HE2 LYS A 61 -0.856 11.045 4.734 1.00 54.25 H new ATOM 0 HE3 LYS A 61 -1.825 11.064 3.274 1.00 54.25 H new ATOM 0 HZ1 LYS A 61 -3.200 11.110 5.238 1.00 24.43 H new ATOM 0 HZ2 LYS A 61 -3.467 9.670 4.378 1.00 24.43 H new ATOM 0 HZ3 LYS A 61 -2.529 9.653 5.793 1.00 24.43 H new ATOM 875 N LYS A 62 2.684 11.393 7.061 1.00 53.02 N ATOM 876 CA LYS A 62 3.660 11.896 7.998 1.00 33.23 C ATOM 877 C LYS A 62 4.440 10.783 8.679 1.00 52.42 C ATOM 878 O LYS A 62 5.657 10.685 8.571 1.00 44.32 O ATOM 879 CB LYS A 62 2.981 12.796 9.047 1.00 0.42 C ATOM 880 CG LYS A 62 1.821 13.719 8.689 1.00 52.43 C ATOM 881 CD LYS A 62 0.370 13.291 8.817 1.00 23.41 C ATOM 882 CE LYS A 62 0.031 11.791 8.787 1.00 0.31 C ATOM 883 NZ LYS A 62 -1.163 11.586 9.619 1.00 52.33 N ATOM 0 H LYS A 62 1.745 11.748 7.242 1.00 53.02 H new ATOM 0 HA LYS A 62 4.378 12.486 7.428 1.00 33.23 H new ATOM 0 HB2 LYS A 62 2.627 12.140 9.842 1.00 0.42 H new ATOM 0 HB3 LYS A 62 3.762 13.424 9.475 1.00 0.42 H new ATOM 0 HG2 LYS A 62 1.937 14.616 9.297 1.00 52.43 H new ATOM 0 HG3 LYS A 62 1.968 14.017 7.651 1.00 52.43 H new ATOM 0 HD2 LYS A 62 -0.011 13.696 9.754 1.00 23.41 H new ATOM 0 HD3 LYS A 62 -0.187 13.771 8.012 1.00 23.41 H new ATOM 0 HE2 LYS A 62 -0.154 11.461 7.765 1.00 0.31 H new ATOM 0 HE3 LYS A 62 0.867 11.202 9.166 1.00 0.31 H new ATOM 0 HZ1 LYS A 62 -1.527 10.623 9.472 1.00 52.33 H new ATOM 0 HZ2 LYS A 62 -0.914 11.713 10.621 1.00 52.33 H new ATOM 0 HZ3 LYS A 62 -1.894 12.277 9.353 1.00 52.33 H new ATOM 893 N ASN A 63 3.726 9.947 9.418 1.00 40.01 N ATOM 894 CA ASN A 63 4.253 8.916 10.290 1.00 52.13 C ATOM 895 C ASN A 63 3.103 7.943 10.409 1.00 71.53 C ATOM 896 O ASN A 63 2.211 8.115 11.228 1.00 14.23 O ATOM 897 CB ASN A 63 4.755 9.465 11.649 1.00 15.04 C ATOM 898 CG ASN A 63 4.203 10.840 12.016 1.00 51.32 C ATOM 899 OD1 ASN A 63 3.077 10.978 12.484 1.00 44.11 O ATOM 900 ND2 ASN A 63 4.940 11.905 11.740 1.00 21.24 N ATOM 0 H ASN A 63 2.706 9.974 9.423 1.00 40.01 H new ATOM 0 HA ASN A 63 5.151 8.443 9.893 1.00 52.13 H new ATOM 0 HB2 ASN A 63 4.487 8.758 12.434 1.00 15.04 H new ATOM 0 HB3 ASN A 63 5.843 9.518 11.626 1.00 15.04 H new ATOM 0 HD21 ASN A 63 4.572 12.840 11.916 1.00 21.24 H new ATOM 0 HD22 ASN A 63 5.876 11.791 11.351 1.00 21.24 H new ATOM 906 N VAL A 64 3.054 6.985 9.488 1.00 73.24 N ATOM 907 CA VAL A 64 2.084 5.902 9.526 1.00 35.30 C ATOM 908 C VAL A 64 2.870 4.614 9.698 1.00 21.11 C ATOM 909 O VAL A 64 3.871 4.397 9.009 1.00 73.23 O ATOM 910 CB VAL A 64 1.218 5.882 8.253 1.00 35.20 C ATOM 911 CG1 VAL A 64 0.027 4.938 8.444 1.00 73.42 C ATOM 912 CG2 VAL A 64 0.686 7.268 7.874 1.00 12.34 C ATOM 0 H VAL A 64 3.690 6.940 8.692 1.00 73.24 H new ATOM 0 HA VAL A 64 1.387 6.032 10.354 1.00 35.30 H new ATOM 0 HB VAL A 64 1.863 5.536 7.445 1.00 35.20 H new ATOM 0 HG11 VAL A 64 -0.580 4.930 7.539 1.00 73.42 H new ATOM 0 HG12 VAL A 64 0.390 3.930 8.646 1.00 73.42 H new ATOM 0 HG13 VAL A 64 -0.578 5.281 9.283 1.00 73.42 H new ATOM 0 HG21 VAL A 64 0.083 7.191 6.969 1.00 12.34 H new ATOM 0 HG22 VAL A 64 0.073 7.657 8.687 1.00 12.34 H new ATOM 0 HG23 VAL A 64 1.523 7.943 7.696 1.00 12.34 H new ATOM 922 N ASN A 65 2.406 3.762 10.606 1.00 24.52 N ATOM 923 CA ASN A 65 2.853 2.391 10.753 1.00 3.42 C ATOM 924 C ASN A 65 1.609 1.507 10.815 1.00 3.42 C ATOM 925 O ASN A 65 0.500 1.989 11.057 1.00 22.54 O ATOM 926 CB ASN A 65 3.734 2.246 12.006 1.00 44.22 C ATOM 927 CG ASN A 65 5.178 2.669 11.763 1.00 71.55 C ATOM 928 OD1 ASN A 65 5.892 1.945 10.925 1.00 51.21 O flip ATOM 929 ND2 ASN A 65 5.696 3.634 12.309 1.00 35.33 N flip ATOM 0 H ASN A 65 1.685 4.020 11.280 1.00 24.52 H new ATOM 0 HA ASN A 65 3.470 2.085 9.908 1.00 3.42 H new ATOM 0 HB2 ASN A 65 3.314 2.848 12.812 1.00 44.22 H new ATOM 0 HB3 ASN A 65 3.715 1.209 12.340 1.00 44.22 H new ATOM 0 HD21 ASN A 65 5.155 4.203 12.960 1.00 35.33 H new ATOM 0 HD22 ASN A 65 6.669 3.869 12.113 1.00 35.33 H new ATOM 935 N ILE A 66 1.787 0.212 10.564 1.00 60.23 N ATOM 936 CA ILE A 66 0.709 -0.768 10.580 1.00 24.53 C ATOM 937 C ILE A 66 0.446 -1.172 12.018 1.00 2.34 C ATOM 938 O ILE A 66 1.372 -1.255 12.831 1.00 54.21 O ATOM 939 CB ILE A 66 1.089 -1.973 9.694 1.00 24.31 C ATOM 940 CG1 ILE A 66 1.075 -1.449 8.238 1.00 22.22 C ATOM 941 CG2 ILE A 66 0.163 -3.185 9.849 1.00 33.24 C ATOM 942 CD1 ILE A 66 1.147 -2.478 7.119 1.00 4.22 C ATOM 0 H ILE A 66 2.698 -0.189 10.341 1.00 60.23 H new ATOM 0 HA ILE A 66 -0.208 -0.345 10.170 1.00 24.53 H new ATOM 0 HB ILE A 66 2.067 -2.347 9.996 1.00 24.31 H new ATOM 0 HG12 ILE A 66 0.165 -0.865 8.100 1.00 22.22 H new ATOM 0 HG13 ILE A 66 1.914 -0.764 8.119 1.00 22.22 H new ATOM 0 HG21 ILE A 66 0.500 -3.987 9.192 1.00 33.24 H new ATOM 0 HG22 ILE A 66 0.185 -3.530 10.883 1.00 33.24 H new ATOM 0 HG23 ILE A 66 -0.855 -2.901 9.582 1.00 33.24 H new ATOM 0 HD11 ILE A 66 1.128 -1.969 6.155 1.00 4.22 H new ATOM 0 HD12 ILE A 66 2.070 -3.050 7.210 1.00 4.22 H new ATOM 0 HD13 ILE A 66 0.294 -3.153 7.190 1.00 4.22 H new ATOM 953 N ASN A 67 -0.813 -1.492 12.296 1.00 0.44 N ATOM 954 CA ASN A 67 -1.223 -2.048 13.576 1.00 1.34 C ATOM 955 C ASN A 67 -1.250 -3.570 13.506 1.00 63.42 C ATOM 956 O ASN A 67 -0.648 -4.237 14.349 1.00 21.30 O ATOM 957 CB ASN A 67 -2.578 -1.475 14.021 1.00 35.33 C ATOM 958 CG ASN A 67 -2.431 -0.846 15.388 1.00 73.21 C ATOM 959 OD1 ASN A 67 -2.382 -1.553 16.393 1.00 35.43 O ATOM 960 ND2 ASN A 67 -2.269 0.462 15.414 1.00 71.15 N ATOM 0 H ASN A 67 -1.580 -1.372 11.635 1.00 0.44 H new ATOM 0 HA ASN A 67 -0.491 -1.759 14.330 1.00 1.34 H new ATOM 0 HB2 ASN A 67 -2.925 -0.733 13.302 1.00 35.33 H new ATOM 0 HB3 ASN A 67 -3.328 -2.266 14.051 1.00 35.33 H new ATOM 0 HD21 ASN A 67 -2.093 0.937 16.300 1.00 71.15 H new ATOM 0 HD22 ASN A 67 -2.320 0.999 14.549 1.00 71.15 H new ATOM 966 N ALA A 68 -1.905 -4.141 12.491 1.00 13.04 N ATOM 967 CA ALA A 68 -2.186 -5.569 12.392 1.00 43.25 C ATOM 968 C ALA A 68 -2.434 -5.973 10.936 1.00 71.32 C ATOM 969 O ALA A 68 -2.457 -5.123 10.043 1.00 43.13 O ATOM 970 CB ALA A 68 -3.416 -5.899 13.249 1.00 22.42 C ATOM 0 H ALA A 68 -2.261 -3.607 11.698 1.00 13.04 H new ATOM 0 HA ALA A 68 -1.324 -6.128 12.755 1.00 43.25 H new ATOM 0 HB1 ALA A 68 -3.632 -6.965 13.180 1.00 22.42 H new ATOM 0 HB2 ALA A 68 -3.217 -5.636 14.288 1.00 22.42 H new ATOM 0 HB3 ALA A 68 -4.274 -5.331 12.889 1.00 22.42 H new ATOM 976 N ILE A 69 -2.650 -7.270 10.721 1.00 12.40 N ATOM 977 CA ILE A 69 -3.093 -7.909 9.486 1.00 51.11 C ATOM 978 C ILE A 69 -4.307 -8.728 9.902 1.00 52.45 C ATOM 979 O ILE A 69 -4.266 -9.369 10.957 1.00 73.43 O ATOM 980 CB ILE A 69 -1.965 -8.819 8.948 1.00 62.43 C ATOM 981 CG1 ILE A 69 -0.784 -7.952 8.467 1.00 11.14 C ATOM 982 CG2 ILE A 69 -2.383 -9.789 7.816 1.00 21.32 C ATOM 983 CD1 ILE A 69 0.573 -8.601 8.655 1.00 21.32 C ATOM 0 H ILE A 69 -2.508 -7.953 11.465 1.00 12.40 H new ATOM 0 HA ILE A 69 -3.335 -7.201 8.693 1.00 51.11 H new ATOM 0 HB ILE A 69 -1.682 -9.453 9.788 1.00 62.43 H new ATOM 0 HG12 ILE A 69 -0.922 -7.722 7.411 1.00 11.14 H new ATOM 0 HG13 ILE A 69 -0.800 -7.004 9.005 1.00 11.14 H new ATOM 0 HG21 ILE A 69 -1.522 -10.382 7.509 1.00 21.32 H new ATOM 0 HG22 ILE A 69 -3.170 -10.451 8.177 1.00 21.32 H new ATOM 0 HG23 ILE A 69 -2.752 -9.217 6.965 1.00 21.32 H new ATOM 0 HD11 ILE A 69 1.351 -7.929 8.293 1.00 21.32 H new ATOM 0 HD12 ILE A 69 0.735 -8.806 9.713 1.00 21.32 H new ATOM 0 HD13 ILE A 69 0.610 -9.535 8.094 1.00 21.32 H new ATOM 994 N THR A 70 -5.348 -8.757 9.070 1.00 21.31 N ATOM 995 CA THR A 70 -6.536 -9.543 9.368 1.00 22.20 C ATOM 996 C THR A 70 -7.090 -10.010 8.039 1.00 74.25 C ATOM 997 O THR A 70 -7.411 -9.154 7.217 1.00 32.12 O ATOM 998 CB THR A 70 -7.583 -8.719 10.141 1.00 52.41 C ATOM 999 OG1 THR A 70 -7.105 -8.303 11.406 1.00 13.30 O ATOM 1000 CG2 THR A 70 -8.838 -9.558 10.385 1.00 41.43 C ATOM 0 H THR A 70 -5.389 -8.246 8.188 1.00 21.31 H new ATOM 0 HA THR A 70 -6.283 -10.388 10.008 1.00 22.20 H new ATOM 0 HB THR A 70 -7.801 -7.844 9.529 1.00 52.41 H new ATOM 0 HG1 THR A 70 -7.798 -7.782 11.863 1.00 13.30 H new ATOM 0 HG21 THR A 70 -9.571 -8.965 10.932 1.00 41.43 H new ATOM 0 HG22 THR A 70 -9.261 -9.866 9.429 1.00 41.43 H new ATOM 0 HG23 THR A 70 -8.577 -10.441 10.968 1.00 41.43 H new ATOM 1008 N PRO A 71 -7.154 -11.322 7.783 1.00 0.22 N ATOM 1009 CA PRO A 71 -7.677 -11.846 6.542 1.00 15.10 C ATOM 1010 C PRO A 71 -9.196 -11.678 6.498 1.00 22.22 C ATOM 1011 O PRO A 71 -9.891 -11.782 7.514 1.00 44.44 O ATOM 1012 CB PRO A 71 -7.245 -13.316 6.509 1.00 4.01 C ATOM 1013 CG PRO A 71 -7.127 -13.684 7.991 1.00 52.45 C ATOM 1014 CD PRO A 71 -6.717 -12.390 8.662 1.00 1.24 C ATOM 0 HA PRO A 71 -7.298 -11.319 5.666 1.00 15.10 H new ATOM 0 HB2 PRO A 71 -7.979 -13.939 5.997 1.00 4.01 H new ATOM 0 HB3 PRO A 71 -6.297 -13.445 5.986 1.00 4.01 H new ATOM 0 HG2 PRO A 71 -8.073 -14.055 8.386 1.00 52.45 H new ATOM 0 HG3 PRO A 71 -6.386 -14.467 8.149 1.00 52.45 H new ATOM 0 HD2 PRO A 71 -7.178 -12.298 9.645 1.00 1.24 H new ATOM 0 HD3 PRO A 71 -5.638 -12.354 8.812 1.00 1.24 H new ATOM 1019 N VAL A 72 -9.711 -11.480 5.293 1.00 15.01 N ATOM 1020 CA VAL A 72 -11.124 -11.486 4.964 1.00 71.21 C ATOM 1021 C VAL A 72 -11.269 -12.348 3.705 1.00 44.44 C ATOM 1022 O VAL A 72 -10.569 -12.151 2.703 1.00 34.34 O ATOM 1023 CB VAL A 72 -11.656 -10.049 4.832 1.00 60.34 C ATOM 1024 CG1 VAL A 72 -13.133 -10.031 4.429 1.00 42.25 C ATOM 1025 CG2 VAL A 72 -11.532 -9.274 6.155 1.00 60.41 C ATOM 0 H VAL A 72 -9.122 -11.302 4.479 1.00 15.01 H new ATOM 0 HA VAL A 72 -11.741 -11.921 5.751 1.00 71.21 H new ATOM 0 HB VAL A 72 -11.048 -9.576 4.061 1.00 60.34 H new ATOM 0 HG11 VAL A 72 -13.475 -8.999 4.345 1.00 42.25 H new ATOM 0 HG12 VAL A 72 -13.254 -10.533 3.469 1.00 42.25 H new ATOM 0 HG13 VAL A 72 -13.723 -10.548 5.186 1.00 42.25 H new ATOM 0 HG21 VAL A 72 -11.918 -8.263 6.022 1.00 60.41 H new ATOM 0 HG22 VAL A 72 -12.106 -9.783 6.930 1.00 60.41 H new ATOM 0 HG23 VAL A 72 -10.484 -9.226 6.452 1.00 60.41 H new ATOM 1035 N GLY A 73 -12.160 -13.340 3.769 1.00 55.11 N ATOM 1036 CA GLY A 73 -12.621 -14.078 2.602 1.00 63.44 C ATOM 1037 C GLY A 73 -11.584 -14.975 1.929 1.00 15.12 C ATOM 1038 O GLY A 73 -11.824 -15.395 0.801 1.00 73.24 O ATOM 0 H GLY A 73 -12.583 -13.653 4.643 1.00 55.11 H new ATOM 0 HA2 GLY A 73 -13.470 -14.695 2.898 1.00 63.44 H new ATOM 0 HA3 GLY A 73 -12.988 -13.363 1.865 1.00 63.44 H new ATOM 1042 N ASN A 74 -10.442 -15.244 2.575 1.00 40.13 N ATOM 1043 CA ASN A 74 -9.237 -15.932 2.072 1.00 0.33 C ATOM 1044 C ASN A 74 -8.440 -15.090 1.078 1.00 41.41 C ATOM 1045 O ASN A 74 -7.266 -15.377 0.853 1.00 74.15 O ATOM 1046 CB ASN A 74 -9.512 -17.269 1.360 1.00 22.23 C ATOM 1047 CG ASN A 74 -10.293 -18.278 2.170 1.00 41.14 C ATOM 1048 OD1 ASN A 74 -11.489 -18.447 1.944 1.00 31.54 O ATOM 1049 ND2 ASN A 74 -9.646 -18.992 3.072 1.00 44.44 N ATOM 0 H ASN A 74 -10.323 -14.963 3.548 1.00 40.13 H new ATOM 0 HA ASN A 74 -8.675 -16.109 2.989 1.00 0.33 H new ATOM 0 HB2 ASN A 74 -10.057 -17.066 0.438 1.00 22.23 H new ATOM 0 HB3 ASN A 74 -8.559 -17.714 1.076 1.00 22.23 H new ATOM 0 HD21 ASN A 74 -10.139 -19.708 3.605 1.00 44.44 H new ATOM 0 HD22 ASN A 74 -8.653 -18.827 3.236 1.00 44.44 H new ATOM 1055 N TYR A 75 -9.053 -14.094 0.444 1.00 42.15 N ATOM 1056 CA TYR A 75 -8.521 -13.437 -0.744 1.00 42.12 C ATOM 1057 C TYR A 75 -7.965 -12.037 -0.465 1.00 61.14 C ATOM 1058 O TYR A 75 -7.597 -11.318 -1.393 1.00 63.44 O ATOM 1059 CB TYR A 75 -9.579 -13.468 -1.861 1.00 73.22 C ATOM 1060 CG TYR A 75 -11.038 -13.234 -1.489 1.00 54.12 C ATOM 1061 CD1 TYR A 75 -11.431 -12.308 -0.498 1.00 75.25 C ATOM 1062 CD2 TYR A 75 -12.023 -13.996 -2.144 1.00 54.32 C ATOM 1063 CE1 TYR A 75 -12.792 -12.120 -0.199 1.00 61.41 C ATOM 1064 CE2 TYR A 75 -13.377 -13.858 -1.803 1.00 60.53 C ATOM 1065 CZ TYR A 75 -13.770 -12.928 -0.820 1.00 60.24 C ATOM 1066 OH TYR A 75 -15.075 -12.874 -0.444 1.00 21.51 O ATOM 0 H TYR A 75 -9.950 -13.715 0.748 1.00 42.15 H new ATOM 0 HA TYR A 75 -7.650 -13.997 -1.086 1.00 42.12 H new ATOM 0 HB2 TYR A 75 -9.301 -12.717 -2.601 1.00 73.22 H new ATOM 0 HB3 TYR A 75 -9.514 -14.439 -2.352 1.00 73.22 H new ATOM 0 HD1 TYR A 75 -10.681 -11.741 0.034 1.00 75.25 H new ATOM 0 HD2 TYR A 75 -11.734 -14.693 -2.916 1.00 54.32 H new ATOM 0 HE1 TYR A 75 -13.090 -11.358 0.506 1.00 61.41 H new ATOM 0 HE2 TYR A 75 -14.121 -14.467 -2.296 1.00 60.53 H new ATOM 0 HH TYR A 75 -15.598 -13.501 -0.986 1.00 21.51 H new ATOM 1075 N ALA A 76 -7.933 -11.596 0.786 1.00 74.34 N ATOM 1076 CA ALA A 76 -7.490 -10.267 1.167 1.00 43.32 C ATOM 1077 C ALA A 76 -7.315 -10.238 2.652 1.00 3.13 C ATOM 1078 O ALA A 76 -7.656 -11.156 3.398 1.00 55.34 O ATOM 1079 CB ALA A 76 -8.556 -9.236 0.752 1.00 74.53 C ATOM 0 H ALA A 76 -8.222 -12.168 1.580 1.00 74.34 H new ATOM 0 HA ALA A 76 -6.549 -10.025 0.674 1.00 43.32 H new ATOM 0 HB1 ALA A 76 -8.226 -8.237 1.037 1.00 74.53 H new ATOM 0 HB2 ALA A 76 -8.700 -9.276 -0.328 1.00 74.53 H new ATOM 0 HB3 ALA A 76 -9.497 -9.464 1.253 1.00 74.53 H new ATOM 1085 N VAL A 77 -6.750 -9.114 3.010 1.00 62.31 N ATOM 1086 CA VAL A 77 -6.393 -8.583 4.261 1.00 60.13 C ATOM 1087 C VAL A 77 -6.856 -7.143 4.399 1.00 43.24 C ATOM 1088 O VAL A 77 -7.162 -6.436 3.442 1.00 2.03 O ATOM 1089 CB VAL A 77 -4.901 -8.889 4.484 1.00 44.04 C ATOM 1090 CG1 VAL A 77 -4.250 -7.991 5.465 1.00 44.25 C ATOM 1091 CG2 VAL A 77 -4.697 -10.320 5.004 1.00 21.54 C ATOM 0 H VAL A 77 -6.494 -8.449 2.280 1.00 62.31 H new ATOM 0 HA VAL A 77 -6.915 -9.055 5.093 1.00 60.13 H new ATOM 0 HB VAL A 77 -4.447 -8.744 3.504 1.00 44.04 H new ATOM 0 HG11 VAL A 77 -3.201 -8.267 5.570 1.00 44.25 H new ATOM 0 HG12 VAL A 77 -4.321 -6.960 5.118 1.00 44.25 H new ATOM 0 HG13 VAL A 77 -4.748 -8.084 6.430 1.00 44.25 H new ATOM 0 HG21 VAL A 77 -3.633 -10.505 5.151 1.00 21.54 H new ATOM 0 HG22 VAL A 77 -5.221 -10.441 5.952 1.00 21.54 H new ATOM 0 HG23 VAL A 77 -5.092 -11.031 4.278 1.00 21.54 H new ATOM 1101 N LYS A 78 -6.981 -6.780 5.659 1.00 64.51 N ATOM 1102 CA LYS A 78 -7.187 -5.491 6.267 1.00 44.12 C ATOM 1103 C LYS A 78 -5.801 -5.062 6.738 1.00 11.42 C ATOM 1104 O LYS A 78 -5.295 -5.563 7.745 1.00 54.11 O ATOM 1105 CB LYS A 78 -8.206 -5.673 7.419 1.00 43.13 C ATOM 1106 CG LYS A 78 -9.328 -4.629 7.431 1.00 20.42 C ATOM 1107 CD LYS A 78 -10.379 -4.966 8.499 1.00 54.03 C ATOM 1108 CE LYS A 78 -11.278 -6.121 8.039 1.00 33.12 C ATOM 1109 NZ LYS A 78 -12.575 -5.635 7.520 1.00 43.22 N ATOM 0 H LYS A 78 -6.932 -7.496 6.383 1.00 64.51 H new ATOM 0 HA LYS A 78 -7.599 -4.726 5.608 1.00 44.12 H new ATOM 0 HB2 LYS A 78 -8.649 -6.666 7.345 1.00 43.13 H new ATOM 0 HB3 LYS A 78 -7.675 -5.631 8.370 1.00 43.13 H new ATOM 0 HG2 LYS A 78 -8.909 -3.642 7.626 1.00 20.42 H new ATOM 0 HG3 LYS A 78 -9.801 -4.587 6.450 1.00 20.42 H new ATOM 0 HD2 LYS A 78 -9.882 -5.236 9.431 1.00 54.03 H new ATOM 0 HD3 LYS A 78 -10.988 -4.086 8.706 1.00 54.03 H new ATOM 0 HE2 LYS A 78 -10.767 -6.692 7.264 1.00 33.12 H new ATOM 0 HE3 LYS A 78 -11.452 -6.801 8.873 1.00 33.12 H new ATOM 0 HZ1 LYS A 78 -13.154 -6.445 7.219 1.00 43.22 H new ATOM 0 HZ2 LYS A 78 -13.074 -5.111 8.267 1.00 43.22 H new ATOM 0 HZ3 LYS A 78 -12.410 -5.007 6.708 1.00 43.22 H new ATOM 1119 N LEU A 79 -5.136 -4.235 5.936 1.00 14.41 N ATOM 1120 CA LEU A 79 -3.909 -3.567 6.340 1.00 23.30 C ATOM 1121 C LEU A 79 -4.378 -2.399 7.180 1.00 42.21 C ATOM 1122 O LEU A 79 -4.891 -1.428 6.624 1.00 24.23 O ATOM 1123 CB LEU A 79 -3.112 -3.077 5.114 1.00 12.20 C ATOM 1124 CG LEU A 79 -1.932 -3.974 4.703 1.00 53.24 C ATOM 1125 CD1 LEU A 79 -2.275 -5.458 4.646 1.00 42.01 C ATOM 1126 CD2 LEU A 79 -1.461 -3.556 3.318 1.00 31.44 C ATOM 0 H LEU A 79 -5.436 -4.011 4.987 1.00 14.41 H new ATOM 0 HA LEU A 79 -3.238 -4.231 6.885 1.00 23.30 H new ATOM 0 HB2 LEU A 79 -3.794 -2.989 4.268 1.00 12.20 H new ATOM 0 HB3 LEU A 79 -2.733 -2.077 5.323 1.00 12.20 H new ATOM 0 HG LEU A 79 -1.166 -3.844 5.467 1.00 53.24 H new ATOM 0 HD11 LEU A 79 -1.392 -6.024 4.349 1.00 42.01 H new ATOM 0 HD12 LEU A 79 -2.607 -5.793 5.629 1.00 42.01 H new ATOM 0 HD13 LEU A 79 -3.071 -5.620 3.919 1.00 42.01 H new ATOM 0 HD21 LEU A 79 -0.624 -4.184 3.013 1.00 31.44 H new ATOM 0 HD22 LEU A 79 -2.278 -3.670 2.606 1.00 31.44 H new ATOM 0 HD23 LEU A 79 -1.143 -2.514 3.341 1.00 31.44 H new ATOM 1137 N VAL A 80 -4.304 -2.522 8.500 1.00 43.04 N ATOM 1138 CA VAL A 80 -4.798 -1.474 9.374 1.00 11.11 C ATOM 1139 C VAL A 80 -3.679 -0.476 9.675 1.00 71.43 C ATOM 1140 O VAL A 80 -2.540 -0.873 9.950 1.00 21.33 O ATOM 1141 CB VAL A 80 -5.503 -2.071 10.597 1.00 44.05 C ATOM 1142 CG1 VAL A 80 -6.594 -3.076 10.205 1.00 62.51 C ATOM 1143 CG2 VAL A 80 -4.615 -2.753 11.614 1.00 12.23 C ATOM 0 H VAL A 80 -3.910 -3.330 8.982 1.00 43.04 H new ATOM 0 HA VAL A 80 -5.574 -0.892 8.876 1.00 11.11 H new ATOM 0 HB VAL A 80 -5.920 -1.182 11.070 1.00 44.05 H new ATOM 0 HG11 VAL A 80 -7.065 -3.472 11.105 1.00 62.51 H new ATOM 0 HG12 VAL A 80 -7.345 -2.577 9.592 1.00 62.51 H new ATOM 0 HG13 VAL A 80 -6.149 -3.894 9.639 1.00 62.51 H new ATOM 0 HG21 VAL A 80 -5.226 -3.135 12.432 1.00 12.23 H new ATOM 0 HG22 VAL A 80 -4.086 -3.580 11.139 1.00 12.23 H new ATOM 0 HG23 VAL A 80 -3.892 -2.037 12.004 1.00 12.23 H new ATOM 1153 N PHE A 81 -3.997 0.813 9.578 1.00 55.11 N ATOM 1154 CA PHE A 81 -3.058 1.918 9.700 1.00 14.03 C ATOM 1155 C PHE A 81 -3.271 2.572 11.059 1.00 4.02 C ATOM 1156 O PHE A 81 -4.400 2.919 11.415 1.00 12.40 O ATOM 1157 CB PHE A 81 -3.315 2.937 8.576 1.00 54.44 C ATOM 1158 CG PHE A 81 -3.164 2.373 7.176 1.00 44.02 C ATOM 1159 CD1 PHE A 81 -1.907 2.356 6.549 1.00 13.21 C ATOM 1160 CD2 PHE A 81 -4.272 1.830 6.504 1.00 62.55 C ATOM 1161 CE1 PHE A 81 -1.737 1.743 5.298 1.00 33.23 C ATOM 1162 CE2 PHE A 81 -4.110 1.230 5.245 1.00 74.11 C ATOM 1163 CZ PHE A 81 -2.842 1.163 4.651 1.00 44.22 C ATOM 0 H PHE A 81 -4.953 1.125 9.406 1.00 55.11 H new ATOM 0 HA PHE A 81 -2.032 1.560 9.616 1.00 14.03 H new ATOM 0 HB2 PHE A 81 -4.323 3.337 8.687 1.00 54.44 H new ATOM 0 HB3 PHE A 81 -2.626 3.773 8.695 1.00 54.44 H new ATOM 0 HD1 PHE A 81 -1.062 2.820 7.035 1.00 13.21 H new ATOM 0 HD2 PHE A 81 -5.251 1.874 6.957 1.00 62.55 H new ATOM 0 HE1 PHE A 81 -0.762 1.717 4.835 1.00 33.23 H new ATOM 0 HE2 PHE A 81 -4.966 0.818 4.732 1.00 74.11 H new ATOM 0 HZ PHE A 81 -2.715 0.668 3.700 1.00 44.22 H new ATOM 1172 N ASP A 82 -2.182 2.772 11.798 1.00 41.41 N ATOM 1173 CA ASP A 82 -2.143 3.436 13.104 1.00 74.42 C ATOM 1174 C ASP A 82 -2.590 4.905 13.015 1.00 75.13 C ATOM 1175 O ASP A 82 -3.116 5.462 13.976 1.00 60.32 O ATOM 1176 CB ASP A 82 -0.708 3.306 13.626 1.00 15.24 C ATOM 1177 CG ASP A 82 -0.548 3.737 15.072 1.00 55.31 C ATOM 1178 OD1 ASP A 82 -0.311 4.933 15.336 1.00 71.15 O ATOM 1179 OD2 ASP A 82 -0.547 2.838 15.939 1.00 42.33 O ATOM 0 H ASP A 82 -1.260 2.463 11.491 1.00 41.41 H new ATOM 0 HA ASP A 82 -2.844 2.964 13.793 1.00 74.42 H new ATOM 0 HB2 ASP A 82 -0.386 2.269 13.527 1.00 15.24 H new ATOM 0 HB3 ASP A 82 -0.047 3.906 13.001 1.00 15.24 H new ATOM 1183 N ASP A 83 -2.504 5.489 11.812 1.00 1.43 N ATOM 1184 CA ASP A 83 -3.052 6.782 11.361 1.00 71.45 C ATOM 1185 C ASP A 83 -4.598 6.805 11.327 1.00 64.12 C ATOM 1186 O ASP A 83 -5.211 7.620 10.631 1.00 2.43 O ATOM 1187 CB ASP A 83 -2.403 7.090 9.996 1.00 0.42 C ATOM 1188 CG ASP A 83 -2.728 8.443 9.340 1.00 21.51 C ATOM 1189 OD1 ASP A 83 -2.817 9.484 10.027 1.00 24.53 O ATOM 1190 OD2 ASP A 83 -2.805 8.504 8.089 1.00 32.14 O ATOM 0 H ASP A 83 -2.001 5.026 11.055 1.00 1.43 H new ATOM 0 HA ASP A 83 -2.806 7.568 12.075 1.00 71.45 H new ATOM 0 HB2 ASP A 83 -1.322 7.027 10.117 1.00 0.42 H new ATOM 0 HB3 ASP A 83 -2.693 6.302 9.301 1.00 0.42 H new ATOM 1194 N GLY A 84 -5.247 5.906 12.069 1.00 62.13 N ATOM 1195 CA GLY A 84 -6.672 5.870 12.325 1.00 2.40 C ATOM 1196 C GLY A 84 -7.393 5.356 11.098 1.00 62.45 C ATOM 1197 O GLY A 84 -8.218 6.076 10.533 1.00 34.14 O ATOM 0 H GLY A 84 -4.754 5.142 12.531 1.00 62.13 H new ATOM 0 HA2 GLY A 84 -6.882 5.227 13.179 1.00 2.40 H new ATOM 0 HA3 GLY A 84 -7.032 6.867 12.580 1.00 2.40 H new ATOM 1201 N HIS A 85 -7.030 4.159 10.622 1.00 22.54 N ATOM 1202 CA HIS A 85 -7.733 3.541 9.511 1.00 13.42 C ATOM 1203 C HIS A 85 -7.595 2.017 9.571 1.00 3.14 C ATOM 1204 O HIS A 85 -6.777 1.426 8.864 1.00 32.14 O ATOM 1205 CB HIS A 85 -7.266 4.164 8.175 1.00 41.25 C ATOM 1206 CG HIS A 85 -8.384 4.442 7.205 1.00 0.33 C ATOM 1207 ND1 HIS A 85 -8.474 4.011 5.901 1.00 75.25 N ATOM 1208 CD2 HIS A 85 -9.440 5.279 7.435 1.00 14.33 C ATOM 1209 CE1 HIS A 85 -9.552 4.603 5.354 1.00 60.34 C ATOM 1210 NE2 HIS A 85 -10.149 5.415 6.240 1.00 0.01 N ATOM 0 H HIS A 85 -6.256 3.608 10.992 1.00 22.54 H new ATOM 0 HA HIS A 85 -8.801 3.744 9.584 1.00 13.42 H new ATOM 0 HB2 HIS A 85 -6.740 5.096 8.384 1.00 41.25 H new ATOM 0 HB3 HIS A 85 -6.549 3.492 7.704 1.00 41.25 H new ATOM 0 HD2 HIS A 85 -9.683 5.752 8.375 1.00 14.33 H new ATOM 0 HE1 HIS A 85 -9.890 4.446 4.340 1.00 60.34 H new ATOM 0 HE2 HIS A 85 -10.959 6.012 6.074 1.00 0.01 H new ATOM 1217 N ASP A 86 -8.392 1.353 10.414 1.00 31.31 N ATOM 1218 CA ASP A 86 -8.553 -0.110 10.358 1.00 15.31 C ATOM 1219 C ASP A 86 -9.518 -0.554 9.255 1.00 43.14 C ATOM 1220 O ASP A 86 -9.808 -1.741 9.109 1.00 44.45 O ATOM 1221 CB ASP A 86 -8.988 -0.713 11.703 1.00 40.23 C ATOM 1222 CG ASP A 86 -10.479 -0.483 11.973 1.00 64.45 C ATOM 1223 OD1 ASP A 86 -10.859 0.672 12.256 1.00 23.51 O ATOM 1224 OD2 ASP A 86 -11.296 -1.430 11.842 1.00 1.41 O ATOM 0 H ASP A 86 -8.939 1.804 11.147 1.00 31.31 H new ATOM 0 HA ASP A 86 -7.561 -0.494 10.120 1.00 15.31 H new ATOM 0 HB2 ASP A 86 -8.779 -1.783 11.707 1.00 40.23 H new ATOM 0 HB3 ASP A 86 -8.400 -0.270 12.507 1.00 40.23 H new ATOM 1228 N THR A 87 -10.029 0.391 8.477 1.00 64.24 N ATOM 1229 CA THR A 87 -11.080 0.199 7.507 1.00 21.11 C ATOM 1230 C THR A 87 -10.471 0.298 6.107 1.00 61.43 C ATOM 1231 O THR A 87 -10.185 1.384 5.596 1.00 21.22 O ATOM 1232 CB THR A 87 -12.200 1.206 7.825 1.00 2.24 C ATOM 1233 OG1 THR A 87 -11.699 2.445 8.310 1.00 32.21 O ATOM 1234 CG2 THR A 87 -13.097 0.624 8.921 1.00 61.25 C ATOM 0 H THR A 87 -9.701 1.356 8.513 1.00 64.24 H new ATOM 0 HA THR A 87 -11.542 -0.787 7.549 1.00 21.11 H new ATOM 0 HB THR A 87 -12.740 1.384 6.895 1.00 2.24 H new ATOM 0 HG1 THR A 87 -12.447 3.050 8.496 1.00 32.21 H new ATOM 0 HG21 THR A 87 -13.894 1.331 9.153 1.00 61.25 H new ATOM 0 HG22 THR A 87 -13.533 -0.313 8.575 1.00 61.25 H new ATOM 0 HG23 THR A 87 -12.504 0.439 9.817 1.00 61.25 H new ATOM 1242 N GLY A 88 -10.229 -0.848 5.471 1.00 11.03 N ATOM 1243 CA GLY A 88 -9.639 -0.893 4.149 1.00 73.13 C ATOM 1244 C GLY A 88 -9.335 -2.333 3.801 1.00 55.41 C ATOM 1245 O GLY A 88 -8.862 -3.097 4.638 1.00 0.40 O ATOM 0 H GLY A 88 -10.439 -1.766 5.864 1.00 11.03 H new ATOM 0 HA2 GLY A 88 -10.322 -0.463 3.416 1.00 73.13 H new ATOM 0 HA3 GLY A 88 -8.727 -0.297 4.122 1.00 73.13 H new ATOM 1249 N LEU A 89 -9.616 -2.710 2.561 1.00 71.41 N ATOM 1250 CA LEU A 89 -9.387 -4.041 2.026 1.00 42.23 C ATOM 1251 C LEU A 89 -8.274 -3.950 0.999 1.00 34.11 C ATOM 1252 O LEU A 89 -8.199 -2.985 0.234 1.00 64.43 O ATOM 1253 CB LEU A 89 -10.677 -4.548 1.364 1.00 33.34 C ATOM 1254 CG LEU A 89 -11.423 -5.622 2.158 1.00 24.32 C ATOM 1255 CD1 LEU A 89 -10.700 -6.964 2.060 1.00 20.24 C ATOM 1256 CD2 LEU A 89 -11.718 -5.217 3.607 1.00 14.32 C ATOM 0 H LEU A 89 -10.024 -2.073 1.877 1.00 71.41 H new ATOM 0 HA LEU A 89 -9.104 -4.734 2.819 1.00 42.23 H new ATOM 0 HB2 LEU A 89 -11.346 -3.702 1.207 1.00 33.34 H new ATOM 0 HB3 LEU A 89 -10.432 -4.948 0.380 1.00 33.34 H new ATOM 0 HG LEU A 89 -12.404 -5.734 1.696 1.00 24.32 H new ATOM 0 HD11 LEU A 89 -11.246 -7.714 2.631 1.00 20.24 H new ATOM 0 HD12 LEU A 89 -10.645 -7.272 1.016 1.00 20.24 H new ATOM 0 HD13 LEU A 89 -9.692 -6.864 2.463 1.00 20.24 H new ATOM 0 HD21 LEU A 89 -12.248 -6.026 4.110 1.00 14.32 H new ATOM 0 HD22 LEU A 89 -10.781 -5.019 4.127 1.00 14.32 H new ATOM 0 HD23 LEU A 89 -12.335 -4.318 3.615 1.00 14.32 H new ATOM 1267 N TYR A 90 -7.429 -4.970 1.003 1.00 20.44 N ATOM 1268 CA TYR A 90 -6.164 -5.027 0.292 1.00 53.22 C ATOM 1269 C TYR A 90 -6.047 -6.444 -0.251 1.00 44.35 C ATOM 1270 O TYR A 90 -5.825 -7.411 0.484 1.00 44.11 O ATOM 1271 CB TYR A 90 -5.014 -4.646 1.232 1.00 4.43 C ATOM 1272 CG TYR A 90 -4.895 -3.159 1.509 1.00 32.44 C ATOM 1273 CD1 TYR A 90 -5.751 -2.537 2.442 1.00 15.00 C ATOM 1274 CD2 TYR A 90 -3.956 -2.392 0.795 1.00 42.13 C ATOM 1275 CE1 TYR A 90 -5.717 -1.144 2.613 1.00 3.43 C ATOM 1276 CE2 TYR A 90 -3.902 -1.000 0.974 1.00 62.44 C ATOM 1277 CZ TYR A 90 -4.807 -0.368 1.861 1.00 72.14 C ATOM 1278 OH TYR A 90 -4.819 0.984 1.998 1.00 40.12 O ATOM 0 H TYR A 90 -7.618 -5.823 1.530 1.00 20.44 H new ATOM 0 HA TYR A 90 -6.115 -4.316 -0.533 1.00 53.22 H new ATOM 0 HB2 TYR A 90 -5.147 -5.170 2.179 1.00 4.43 H new ATOM 0 HB3 TYR A 90 -4.077 -4.999 0.801 1.00 4.43 H new ATOM 0 HD1 TYR A 90 -6.435 -3.134 3.027 1.00 15.00 H new ATOM 0 HD2 TYR A 90 -3.276 -2.874 0.108 1.00 42.13 H new ATOM 0 HE1 TYR A 90 -6.384 -0.668 3.316 1.00 3.43 H new ATOM 0 HE2 TYR A 90 -3.172 -0.413 0.436 1.00 62.44 H new ATOM 0 HH TYR A 90 -3.932 1.342 1.785 1.00 40.12 H new ATOM 1287 N SER A 91 -6.336 -6.571 -1.542 1.00 33.32 N ATOM 1288 CA SER A 91 -6.268 -7.815 -2.285 1.00 21.13 C ATOM 1289 C SER A 91 -4.810 -8.158 -2.585 1.00 4.03 C ATOM 1290 O SER A 91 -3.942 -7.284 -2.642 1.00 35.41 O ATOM 1291 CB SER A 91 -7.119 -7.633 -3.547 1.00 15.33 C ATOM 1292 OG SER A 91 -6.855 -8.559 -4.571 1.00 12.22 O ATOM 0 H SER A 91 -6.634 -5.781 -2.115 1.00 33.32 H new ATOM 0 HA SER A 91 -6.663 -8.657 -1.717 1.00 21.13 H new ATOM 0 HB2 SER A 91 -8.171 -7.705 -3.273 1.00 15.33 H new ATOM 0 HB3 SER A 91 -6.959 -6.627 -3.935 1.00 15.33 H new ATOM 0 HG SER A 91 -7.439 -8.375 -5.336 1.00 12.22 H new ATOM 1297 N TRP A 92 -4.547 -9.435 -2.846 1.00 14.03 N ATOM 1298 CA TRP A 92 -3.246 -9.940 -3.252 1.00 51.24 C ATOM 1299 C TRP A 92 -2.792 -9.255 -4.541 1.00 75.21 C ATOM 1300 O TRP A 92 -1.648 -8.811 -4.617 1.00 15.23 O ATOM 1301 CB TRP A 92 -3.317 -11.462 -3.427 1.00 11.14 C ATOM 1302 CG TRP A 92 -3.937 -12.251 -2.307 1.00 22.34 C ATOM 1303 CD1 TRP A 92 -4.632 -13.399 -2.476 1.00 75.42 C ATOM 1304 CD2 TRP A 92 -3.954 -11.988 -0.864 1.00 62.42 C ATOM 1305 NE1 TRP A 92 -5.080 -13.859 -1.260 1.00 35.10 N ATOM 1306 CE2 TRP A 92 -4.654 -13.056 -0.228 1.00 54.12 C ATOM 1307 CE3 TRP A 92 -3.455 -10.969 -0.018 1.00 42.31 C ATOM 1308 CZ2 TRP A 92 -4.801 -13.131 1.162 1.00 24.10 C ATOM 1309 CZ3 TRP A 92 -3.577 -11.042 1.381 1.00 32.22 C ATOM 1310 CH2 TRP A 92 -4.227 -12.139 1.968 1.00 34.31 C ATOM 0 H TRP A 92 -5.256 -10.165 -2.778 1.00 14.03 H new ATOM 0 HA TRP A 92 -2.511 -9.716 -2.479 1.00 51.24 H new ATOM 0 HB2 TRP A 92 -3.876 -11.672 -4.339 1.00 11.14 H new ATOM 0 HB3 TRP A 92 -2.304 -11.833 -3.582 1.00 11.14 H new ATOM 0 HD1 TRP A 92 -4.809 -13.883 -3.425 1.00 75.42 H new ATOM 0 HE1 TRP A 92 -5.656 -14.692 -1.139 1.00 35.10 H new ATOM 0 HE3 TRP A 92 -2.967 -10.112 -0.459 1.00 42.31 H new ATOM 0 HZ2 TRP A 92 -5.352 -13.946 1.609 1.00 24.10 H new ATOM 0 HZ3 TRP A 92 -3.172 -10.257 2.002 1.00 32.22 H new ATOM 0 HH2 TRP A 92 -4.285 -12.219 3.044 1.00 34.31 H new ATOM 1320 N LYS A 93 -3.685 -9.100 -5.531 1.00 33.41 N ATOM 1321 CA LYS A 93 -3.338 -8.417 -6.780 1.00 33.11 C ATOM 1322 C LYS A 93 -2.959 -6.975 -6.506 1.00 72.25 C ATOM 1323 O LYS A 93 -1.940 -6.513 -7.005 1.00 13.40 O ATOM 1324 CB LYS A 93 -4.480 -8.515 -7.805 1.00 1.01 C ATOM 1325 CG LYS A 93 -4.144 -7.831 -9.152 1.00 34.24 C ATOM 1326 CD LYS A 93 -4.801 -6.446 -9.260 1.00 11.40 C ATOM 1327 CE LYS A 93 -4.073 -5.445 -10.162 1.00 55.05 C ATOM 1328 NZ LYS A 93 -4.225 -5.703 -11.608 1.00 31.53 N ATOM 0 H LYS A 93 -4.647 -9.437 -5.488 1.00 33.41 H new ATOM 0 HA LYS A 93 -2.473 -8.917 -7.215 1.00 33.11 H new ATOM 0 HB2 LYS A 93 -4.710 -9.565 -7.985 1.00 1.01 H new ATOM 0 HB3 LYS A 93 -5.377 -8.059 -7.386 1.00 1.01 H new ATOM 0 HG2 LYS A 93 -3.063 -7.731 -9.251 1.00 34.24 H new ATOM 0 HG3 LYS A 93 -4.482 -8.460 -9.975 1.00 34.24 H new ATOM 0 HD2 LYS A 93 -5.818 -6.572 -9.632 1.00 11.40 H new ATOM 0 HD3 LYS A 93 -4.878 -6.020 -8.260 1.00 11.40 H new ATOM 0 HE2 LYS A 93 -4.442 -4.443 -9.944 1.00 55.05 H new ATOM 0 HE3 LYS A 93 -3.012 -5.455 -9.913 1.00 55.05 H new ATOM 0 HZ1 LYS A 93 -3.703 -4.982 -12.146 1.00 31.53 H new ATOM 0 HZ2 LYS A 93 -3.847 -6.645 -11.834 1.00 31.53 H new ATOM 0 HZ3 LYS A 93 -5.232 -5.664 -11.864 1.00 31.53 H new ATOM 1338 N VAL A 94 -3.780 -6.287 -5.720 1.00 74.54 N ATOM 1339 CA VAL A 94 -3.564 -4.895 -5.354 1.00 21.52 C ATOM 1340 C VAL A 94 -2.176 -4.745 -4.710 1.00 40.14 C ATOM 1341 O VAL A 94 -1.437 -3.832 -5.071 1.00 2.03 O ATOM 1342 CB VAL A 94 -4.748 -4.448 -4.470 1.00 23.52 C ATOM 1343 CG1 VAL A 94 -4.540 -3.120 -3.735 1.00 14.40 C ATOM 1344 CG2 VAL A 94 -6.040 -4.375 -5.291 1.00 40.13 C ATOM 0 H VAL A 94 -4.626 -6.688 -5.314 1.00 74.54 H new ATOM 0 HA VAL A 94 -3.549 -4.230 -6.218 1.00 21.52 H new ATOM 0 HB VAL A 94 -4.821 -5.215 -3.699 1.00 23.52 H new ATOM 0 HG11 VAL A 94 -5.425 -2.891 -3.141 1.00 14.40 H new ATOM 0 HG12 VAL A 94 -3.673 -3.199 -3.079 1.00 14.40 H new ATOM 0 HG13 VAL A 94 -4.374 -2.324 -4.461 1.00 14.40 H new ATOM 0 HG21 VAL A 94 -6.862 -4.058 -4.649 1.00 40.13 H new ATOM 0 HG22 VAL A 94 -5.916 -3.657 -6.102 1.00 40.13 H new ATOM 0 HG23 VAL A 94 -6.263 -5.358 -5.707 1.00 40.13 H new ATOM 1354 N LEU A 95 -1.787 -5.643 -3.791 1.00 22.23 N ATOM 1355 CA LEU A 95 -0.456 -5.610 -3.180 1.00 75.41 C ATOM 1356 C LEU A 95 0.617 -5.800 -4.259 1.00 62.31 C ATOM 1357 O LEU A 95 1.542 -4.997 -4.317 1.00 3.14 O ATOM 1358 CB LEU A 95 -0.280 -6.677 -2.077 1.00 73.21 C ATOM 1359 CG LEU A 95 -1.138 -6.573 -0.795 1.00 61.34 C ATOM 1360 CD1 LEU A 95 -0.922 -7.771 0.135 1.00 63.31 C ATOM 1361 CD2 LEU A 95 -0.910 -5.276 -0.009 1.00 62.25 C ATOM 0 H LEU A 95 -2.381 -6.402 -3.456 1.00 22.23 H new ATOM 0 HA LEU A 95 -0.345 -4.635 -2.706 1.00 75.41 H new ATOM 0 HB2 LEU A 95 -0.475 -7.651 -2.526 1.00 73.21 H new ATOM 0 HB3 LEU A 95 0.767 -6.669 -1.775 1.00 73.21 H new ATOM 0 HG LEU A 95 -2.169 -6.569 -1.149 1.00 61.34 H new ATOM 0 HD11 LEU A 95 -1.543 -7.659 1.024 1.00 63.31 H new ATOM 0 HD12 LEU A 95 -1.195 -8.689 -0.385 1.00 63.31 H new ATOM 0 HD13 LEU A 95 0.126 -7.819 0.429 1.00 63.31 H new ATOM 0 HD21 LEU A 95 -1.544 -5.271 0.877 1.00 62.25 H new ATOM 0 HD22 LEU A 95 0.135 -5.212 0.293 1.00 62.25 H new ATOM 0 HD23 LEU A 95 -1.159 -4.421 -0.638 1.00 62.25 H new ATOM 1372 N TYR A 96 0.497 -6.835 -5.102 1.00 2.03 N ATOM 1373 CA TYR A 96 1.460 -7.170 -6.154 1.00 63.43 C ATOM 1374 C TYR A 96 1.697 -5.972 -7.071 1.00 54.32 C ATOM 1375 O TYR A 96 2.834 -5.658 -7.413 1.00 73.25 O ATOM 1376 CB TYR A 96 0.964 -8.400 -6.956 1.00 13.30 C ATOM 1377 CG TYR A 96 2.001 -9.314 -7.608 1.00 75.41 C ATOM 1378 CD1 TYR A 96 3.239 -8.843 -8.094 1.00 2.32 C ATOM 1379 CD2 TYR A 96 1.713 -10.690 -7.724 1.00 12.13 C ATOM 1380 CE1 TYR A 96 4.180 -9.728 -8.647 1.00 22.40 C ATOM 1381 CE2 TYR A 96 2.661 -11.582 -8.259 1.00 73.15 C ATOM 1382 CZ TYR A 96 3.897 -11.105 -8.733 1.00 4.22 C ATOM 1383 OH TYR A 96 4.800 -11.978 -9.254 1.00 61.54 O ATOM 0 H TYR A 96 -0.294 -7.478 -5.068 1.00 2.03 H new ATOM 0 HA TYR A 96 2.413 -7.424 -5.690 1.00 63.43 H new ATOM 0 HB2 TYR A 96 0.359 -9.011 -6.285 1.00 13.30 H new ATOM 0 HB3 TYR A 96 0.301 -8.038 -7.742 1.00 13.30 H new ATOM 0 HD1 TYR A 96 3.466 -7.789 -8.040 1.00 2.32 H new ATOM 0 HD2 TYR A 96 0.753 -11.063 -7.398 1.00 12.13 H new ATOM 0 HE1 TYR A 96 5.125 -9.350 -9.008 1.00 22.40 H new ATOM 0 HE2 TYR A 96 2.439 -12.638 -8.306 1.00 73.15 H new ATOM 0 HH TYR A 96 4.430 -12.885 -9.230 1.00 61.54 H new ATOM 1392 N ASP A 97 0.631 -5.301 -7.497 1.00 43.03 N ATOM 1393 CA ASP A 97 0.723 -4.307 -8.555 1.00 54.12 C ATOM 1394 C ASP A 97 1.518 -3.105 -8.092 1.00 21.23 C ATOM 1395 O ASP A 97 2.538 -2.787 -8.694 1.00 41.22 O ATOM 1396 CB ASP A 97 -0.678 -3.941 -9.069 1.00 62.31 C ATOM 1397 CG ASP A 97 -0.733 -3.873 -10.605 1.00 3.22 C ATOM 1398 OD1 ASP A 97 0.210 -4.334 -11.308 1.00 40.43 O ATOM 1399 OD2 ASP A 97 -1.813 -3.562 -11.133 1.00 11.30 O ATOM 0 H ASP A 97 -0.309 -5.430 -7.122 1.00 43.03 H new ATOM 0 HA ASP A 97 1.267 -4.729 -9.400 1.00 54.12 H new ATOM 0 HB2 ASP A 97 -1.398 -4.678 -8.713 1.00 62.31 H new ATOM 0 HB3 ASP A 97 -0.976 -2.978 -8.653 1.00 62.31 H new ATOM 1403 N LEU A 98 1.136 -2.526 -6.958 1.00 14.22 N ATOM 1404 CA LEU A 98 1.922 -1.520 -6.261 1.00 24.54 C ATOM 1405 C LEU A 98 3.348 -2.033 -6.027 1.00 73.14 C ATOM 1406 O LEU A 98 4.303 -1.335 -6.332 1.00 14.04 O ATOM 1407 CB LEU A 98 1.255 -1.250 -4.891 1.00 63.32 C ATOM 1408 CG LEU A 98 -0.066 -0.474 -4.997 1.00 32.41 C ATOM 1409 CD1 LEU A 98 -0.936 -0.652 -3.748 1.00 4.21 C ATOM 1410 CD2 LEU A 98 0.241 1.013 -5.130 1.00 23.30 C ATOM 0 H LEU A 98 0.256 -2.748 -6.492 1.00 14.22 H new ATOM 0 HA LEU A 98 1.966 -0.609 -6.858 1.00 24.54 H new ATOM 0 HB2 LEU A 98 1.070 -2.201 -4.392 1.00 63.32 H new ATOM 0 HB3 LEU A 98 1.947 -0.690 -4.263 1.00 63.32 H new ATOM 0 HG LEU A 98 -0.603 -0.859 -5.864 1.00 32.41 H new ATOM 0 HD11 LEU A 98 -1.860 -0.087 -3.865 1.00 4.21 H new ATOM 0 HD12 LEU A 98 -1.171 -1.708 -3.616 1.00 4.21 H new ATOM 0 HD13 LEU A 98 -0.396 -0.288 -2.874 1.00 4.21 H new ATOM 0 HD21 LEU A 98 -0.692 1.572 -5.206 1.00 23.30 H new ATOM 0 HD22 LEU A 98 0.795 1.350 -4.254 1.00 23.30 H new ATOM 0 HD23 LEU A 98 0.839 1.182 -6.025 1.00 23.30 H new ATOM 1421 N ALA A 99 3.513 -3.253 -5.505 1.00 14.13 N ATOM 1422 CA ALA A 99 4.805 -3.794 -5.077 1.00 13.03 C ATOM 1423 C ALA A 99 5.844 -3.853 -6.184 1.00 63.53 C ATOM 1424 O ALA A 99 7.039 -3.696 -5.923 1.00 15.13 O ATOM 1425 CB ALA A 99 4.625 -5.218 -4.543 1.00 32.33 C ATOM 0 H ALA A 99 2.739 -3.902 -5.366 1.00 14.13 H new ATOM 0 HA ALA A 99 5.166 -3.109 -4.309 1.00 13.03 H new ATOM 0 HB1 ALA A 99 5.591 -5.613 -4.227 1.00 32.33 H new ATOM 0 HB2 ALA A 99 3.943 -5.204 -3.693 1.00 32.33 H new ATOM 0 HB3 ALA A 99 4.213 -5.852 -5.328 1.00 32.33 H new ATOM 1431 N SER A 100 5.391 -4.177 -7.386 1.00 15.01 N ATOM 1432 CA SER A 100 6.201 -4.310 -8.575 1.00 40.31 C ATOM 1433 C SER A 100 6.385 -2.989 -9.316 1.00 51.25 C ATOM 1434 O SER A 100 7.177 -2.947 -10.258 1.00 71.54 O ATOM 1435 CB SER A 100 5.505 -5.354 -9.444 1.00 41.01 C ATOM 1436 OG SER A 100 5.907 -6.653 -9.028 1.00 22.23 O ATOM 0 H SER A 100 4.403 -4.361 -7.561 1.00 15.01 H new ATOM 0 HA SER A 100 7.213 -4.619 -8.313 1.00 40.31 H new ATOM 0 HB2 SER A 100 4.423 -5.251 -9.360 1.00 41.01 H new ATOM 0 HB3 SER A 100 5.760 -5.200 -10.493 1.00 41.01 H new ATOM 0 HG SER A 100 5.115 -7.218 -8.910 1.00 22.23 H new ATOM 1441 N ASN A 101 5.666 -1.943 -8.922 1.00 63.35 N ATOM 1442 CA ASN A 101 5.613 -0.651 -9.592 1.00 55.14 C ATOM 1443 C ASN A 101 5.770 0.511 -8.604 1.00 35.24 C ATOM 1444 O ASN A 101 5.229 1.593 -8.808 1.00 64.45 O ATOM 1445 CB ASN A 101 4.349 -0.564 -10.459 1.00 20.20 C ATOM 1446 CG ASN A 101 4.259 -1.658 -11.517 1.00 34.50 C ATOM 1447 OD1 ASN A 101 4.870 -1.593 -12.579 1.00 1.20 O ATOM 1448 ND2 ASN A 101 3.524 -2.727 -11.268 1.00 3.10 N ATOM 0 H ASN A 101 5.078 -1.976 -8.089 1.00 63.35 H new ATOM 0 HA ASN A 101 6.466 -0.560 -10.265 1.00 55.14 H new ATOM 0 HB2 ASN A 101 3.472 -0.620 -9.815 1.00 20.20 H new ATOM 0 HB3 ASN A 101 4.322 0.409 -10.951 1.00 20.20 H new ATOM 0 HD21 ASN A 101 3.471 -3.481 -11.953 1.00 3.10 H new ATOM 0 HD22 ASN A 101 3.009 -2.799 -10.390 1.00 3.10 H new ATOM 1454 N GLN A 102 6.441 0.308 -7.472 1.00 4.10 N ATOM 1455 CA GLN A 102 6.239 1.159 -6.304 1.00 51.24 C ATOM 1456 C GLN A 102 6.841 2.552 -6.503 1.00 20.43 C ATOM 1457 O GLN A 102 6.364 3.530 -5.930 1.00 22.20 O ATOM 1458 CB GLN A 102 6.758 0.468 -5.027 1.00 62.52 C ATOM 1459 CG GLN A 102 8.176 -0.129 -5.091 1.00 35.14 C ATOM 1460 CD GLN A 102 8.537 -0.762 -3.751 1.00 60.55 C ATOM 1461 OE1 GLN A 102 8.807 -0.063 -2.780 1.00 60.21 O ATOM 1462 NE2 GLN A 102 8.503 -2.077 -3.624 1.00 21.54 N ATOM 0 H GLN A 102 7.126 -0.436 -7.340 1.00 4.10 H new ATOM 0 HA GLN A 102 5.167 1.309 -6.178 1.00 51.24 H new ATOM 0 HB2 GLN A 102 6.730 1.192 -4.213 1.00 62.52 H new ATOM 0 HB3 GLN A 102 6.064 -0.331 -4.766 1.00 62.52 H new ATOM 0 HG2 GLN A 102 8.229 -0.877 -5.882 1.00 35.14 H new ATOM 0 HG3 GLN A 102 8.896 0.650 -5.340 1.00 35.14 H new ATOM 0 HE21 GLN A 102 8.279 -2.662 -4.429 1.00 21.54 H new ATOM 0 HE22 GLN A 102 8.701 -2.507 -2.721 1.00 21.54 H new ATOM 1469 N VAL A 103 7.877 2.634 -7.326 1.00 41.41 N ATOM 1470 CA VAL A 103 8.608 3.846 -7.638 1.00 63.23 C ATOM 1471 C VAL A 103 7.746 4.744 -8.519 1.00 24.42 C ATOM 1472 O VAL A 103 7.719 5.953 -8.275 1.00 64.41 O ATOM 1473 CB VAL A 103 9.906 3.413 -8.349 1.00 43.34 C ATOM 1474 CG1 VAL A 103 10.838 4.570 -8.691 1.00 14.54 C ATOM 1475 CG2 VAL A 103 10.709 2.448 -7.472 1.00 75.05 C ATOM 0 H VAL A 103 8.245 1.818 -7.815 1.00 41.41 H new ATOM 0 HA VAL A 103 8.855 4.419 -6.744 1.00 63.23 H new ATOM 0 HB VAL A 103 9.570 2.945 -9.274 1.00 43.34 H new ATOM 0 HG11 VAL A 103 11.728 4.185 -9.189 1.00 14.54 H new ATOM 0 HG12 VAL A 103 10.325 5.267 -9.353 1.00 14.54 H new ATOM 0 HG13 VAL A 103 11.128 5.086 -7.776 1.00 14.54 H new ATOM 0 HG21 VAL A 103 11.621 2.155 -7.993 1.00 75.05 H new ATOM 0 HG22 VAL A 103 10.969 2.939 -6.534 1.00 75.05 H new ATOM 0 HG23 VAL A 103 10.110 1.562 -7.263 1.00 75.05 H new ATOM 1485 N ASP A 104 7.065 4.179 -9.523 1.00 24.54 N ATOM 1486 CA ASP A 104 6.297 4.956 -10.492 1.00 1.01 C ATOM 1487 C ASP A 104 5.006 5.454 -9.854 1.00 11.43 C ATOM 1488 O ASP A 104 4.649 6.634 -9.950 1.00 71.41 O ATOM 1489 CB ASP A 104 5.948 4.099 -11.714 1.00 33.13 C ATOM 1490 CG ASP A 104 5.335 4.920 -12.853 1.00 73.22 C ATOM 1491 OD1 ASP A 104 4.121 5.227 -12.837 1.00 61.32 O ATOM 1492 OD2 ASP A 104 6.100 5.222 -13.801 1.00 13.42 O ATOM 0 H ASP A 104 7.033 3.172 -9.683 1.00 24.54 H new ATOM 0 HA ASP A 104 6.906 5.803 -10.808 1.00 1.01 H new ATOM 0 HB2 ASP A 104 6.849 3.601 -12.074 1.00 33.13 H new ATOM 0 HB3 ASP A 104 5.249 3.317 -11.417 1.00 33.13 H new ATOM 1496 N LEU A 105 4.353 4.528 -9.140 1.00 40.02 N ATOM 1497 CA LEU A 105 3.162 4.735 -8.339 1.00 11.02 C ATOM 1498 C LEU A 105 3.406 5.861 -7.334 1.00 24.12 C ATOM 1499 O LEU A 105 2.541 6.712 -7.161 1.00 14.40 O ATOM 1500 CB LEU A 105 2.851 3.433 -7.586 1.00 64.51 C ATOM 1501 CG LEU A 105 2.120 2.297 -8.332 1.00 32.13 C ATOM 1502 CD1 LEU A 105 0.600 2.516 -8.254 1.00 3.12 C ATOM 1503 CD2 LEU A 105 2.331 2.047 -9.807 1.00 71.34 C ATOM 0 H LEU A 105 4.670 3.559 -9.111 1.00 40.02 H new ATOM 0 HA LEU A 105 2.324 5.008 -8.980 1.00 11.02 H new ATOM 0 HB2 LEU A 105 3.795 3.032 -7.218 1.00 64.51 H new ATOM 0 HB3 LEU A 105 2.253 3.692 -6.713 1.00 64.51 H new ATOM 0 HG LEU A 105 2.565 1.451 -7.808 1.00 32.13 H new ATOM 0 HD11 LEU A 105 0.089 1.711 -8.782 1.00 3.12 H new ATOM 0 HD12 LEU A 105 0.286 2.522 -7.210 1.00 3.12 H new ATOM 0 HD13 LEU A 105 0.346 3.471 -8.714 1.00 3.12 H new ATOM 0 HD21 LEU A 105 1.720 1.202 -10.124 1.00 71.34 H new ATOM 0 HD22 LEU A 105 2.044 2.934 -10.371 1.00 71.34 H new ATOM 0 HD23 LEU A 105 3.382 1.824 -9.992 1.00 71.34 H new ATOM 1514 N TRP A 106 4.556 5.863 -6.653 1.00 41.15 N ATOM 1515 CA TRP A 106 4.943 6.942 -5.760 1.00 42.35 C ATOM 1516 C TRP A 106 5.081 8.235 -6.551 1.00 31.21 C ATOM 1517 O TRP A 106 4.393 9.198 -6.221 1.00 31.34 O ATOM 1518 CB TRP A 106 6.238 6.577 -5.023 1.00 33.42 C ATOM 1519 CG TRP A 106 6.747 7.564 -4.016 1.00 32.52 C ATOM 1520 CD1 TRP A 106 7.920 8.230 -4.082 1.00 74.53 C ATOM 1521 CD2 TRP A 106 6.101 8.029 -2.798 1.00 31.12 C ATOM 1522 NE1 TRP A 106 8.114 8.945 -2.915 1.00 33.12 N ATOM 1523 CE2 TRP A 106 6.991 8.906 -2.114 1.00 54.32 C ATOM 1524 CE3 TRP A 106 4.830 7.838 -2.229 1.00 75.14 C ATOM 1525 CZ2 TRP A 106 6.627 9.564 -0.929 1.00 32.51 C ATOM 1526 CZ3 TRP A 106 4.456 8.491 -1.043 1.00 44.34 C ATOM 1527 CH2 TRP A 106 5.349 9.345 -0.386 1.00 0.32 C ATOM 0 H TRP A 106 5.242 5.110 -6.711 1.00 41.15 H new ATOM 0 HA TRP A 106 4.171 7.093 -5.005 1.00 42.35 H new ATOM 0 HB2 TRP A 106 6.083 5.625 -4.516 1.00 33.42 H new ATOM 0 HB3 TRP A 106 7.019 6.418 -5.767 1.00 33.42 H new ATOM 0 HD1 TRP A 106 8.602 8.207 -4.919 1.00 74.53 H new ATOM 0 HE1 TRP A 106 8.975 9.437 -2.677 1.00 33.12 H new ATOM 0 HE3 TRP A 106 4.127 7.176 -2.713 1.00 75.14 H new ATOM 0 HZ2 TRP A 106 7.321 10.231 -0.440 1.00 32.51 H new ATOM 0 HZ3 TRP A 106 3.469 8.332 -0.634 1.00 44.34 H new ATOM 0 HH2 TRP A 106 5.058 9.833 0.533 1.00 0.32 H new ATOM 1537 N GLU A 107 5.916 8.260 -7.596 1.00 71.21 N ATOM 1538 CA GLU A 107 6.188 9.437 -8.430 1.00 4.03 C ATOM 1539 C GLU A 107 4.905 10.111 -8.905 1.00 3.23 C ATOM 1540 O GLU A 107 4.860 11.333 -9.072 1.00 1.20 O ATOM 1541 CB GLU A 107 7.004 9.043 -9.674 1.00 12.21 C ATOM 1542 CG GLU A 107 8.421 9.624 -9.669 1.00 21.34 C ATOM 1543 CD GLU A 107 8.485 11.156 -9.667 1.00 75.32 C ATOM 1544 OE1 GLU A 107 8.372 11.780 -10.746 1.00 73.15 O ATOM 1545 OE2 GLU A 107 8.726 11.743 -8.594 1.00 42.33 O ATOM 0 H GLU A 107 6.438 7.436 -7.894 1.00 71.21 H new ATOM 0 HA GLU A 107 6.749 10.133 -7.807 1.00 4.03 H new ATOM 0 HB2 GLU A 107 7.063 7.956 -9.734 1.00 12.21 H new ATOM 0 HB3 GLU A 107 6.481 9.383 -10.568 1.00 12.21 H new ATOM 0 HG2 GLU A 107 8.949 9.251 -8.792 1.00 21.34 H new ATOM 0 HG3 GLU A 107 8.954 9.253 -10.544 1.00 21.34 H new ATOM 1550 N ASN A 108 3.860 9.315 -9.130 1.00 12.03 N ATOM 1551 CA ASN A 108 2.550 9.787 -9.533 1.00 13.03 C ATOM 1552 C ASN A 108 2.048 10.860 -8.573 1.00 0.20 C ATOM 1553 O ASN A 108 1.542 11.889 -9.011 1.00 74.11 O ATOM 1554 CB ASN A 108 1.593 8.595 -9.577 1.00 52.23 C ATOM 1555 CG ASN A 108 0.439 8.861 -10.516 1.00 15.10 C ATOM 1556 OD1 ASN A 108 -0.489 9.596 -10.202 1.00 14.14 O ATOM 1557 ND2 ASN A 108 0.495 8.303 -11.709 1.00 41.02 N ATOM 0 H ASN A 108 3.910 8.301 -9.033 1.00 12.03 H new ATOM 0 HA ASN A 108 2.608 10.239 -10.523 1.00 13.03 H new ATOM 0 HB2 ASN A 108 2.131 7.704 -9.900 1.00 52.23 H new ATOM 0 HB3 ASN A 108 1.213 8.392 -8.576 1.00 52.23 H new ATOM 0 HD21 ASN A 108 -0.243 8.480 -12.390 1.00 41.02 H new ATOM 0 HD22 ASN A 108 1.277 7.694 -11.951 1.00 41.02 H new ATOM 1563 N TYR A 109 2.235 10.653 -7.268 1.00 41.11 N ATOM 1564 CA TYR A 109 1.753 11.547 -6.243 1.00 13.10 C ATOM 1565 C TYR A 109 2.637 12.763 -6.208 1.00 34.44 C ATOM 1566 O TYR A 109 2.098 13.854 -6.116 1.00 62.31 O ATOM 1567 CB TYR A 109 1.733 10.829 -4.896 1.00 0.20 C ATOM 1568 CG TYR A 109 0.596 9.846 -4.842 1.00 14.32 C ATOM 1569 CD1 TYR A 109 -0.719 10.290 -4.612 1.00 60.41 C ATOM 1570 CD2 TYR A 109 0.862 8.483 -5.018 1.00 55.25 C ATOM 1571 CE1 TYR A 109 -1.763 9.356 -4.521 1.00 2.14 C ATOM 1572 CE2 TYR A 109 -0.163 7.548 -4.853 1.00 14.34 C ATOM 1573 CZ TYR A 109 -1.496 7.979 -4.645 1.00 74.11 C ATOM 1574 OH TYR A 109 -2.520 7.093 -4.516 1.00 40.44 O ATOM 0 H TYR A 109 2.735 9.844 -6.900 1.00 41.11 H new ATOM 0 HA TYR A 109 0.733 11.863 -6.462 1.00 13.10 H new ATOM 0 HB2 TYR A 109 2.679 10.310 -4.740 1.00 0.20 H new ATOM 0 HB3 TYR A 109 1.632 11.556 -4.091 1.00 0.20 H new ATOM 0 HD1 TYR A 109 -0.924 11.345 -4.506 1.00 60.41 H new ATOM 0 HD2 TYR A 109 1.857 8.155 -5.281 1.00 55.25 H new ATOM 0 HE1 TYR A 109 -2.775 9.695 -4.355 1.00 2.14 H new ATOM 0 HE2 TYR A 109 0.062 6.492 -4.884 1.00 14.34 H new ATOM 0 HH TYR A 109 -2.359 6.320 -5.096 1.00 40.44 H new ATOM 1583 N LEU A 110 3.962 12.619 -6.313 1.00 14.21 N ATOM 1584 CA LEU A 110 4.864 13.749 -6.298 1.00 43.12 C ATOM 1585 C LEU A 110 4.480 14.745 -7.399 1.00 3.34 C ATOM 1586 O LEU A 110 4.419 15.946 -7.129 1.00 31.41 O ATOM 1587 CB LEU A 110 6.297 13.223 -6.422 1.00 31.53 C ATOM 1588 CG LEU A 110 6.763 12.462 -5.163 1.00 0.00 C ATOM 1589 CD1 LEU A 110 6.153 11.110 -4.827 1.00 41.22 C ATOM 1590 CD2 LEU A 110 8.257 12.229 -5.238 1.00 43.45 C ATOM 0 H LEU A 110 4.426 11.716 -6.410 1.00 14.21 H new ATOM 0 HA LEU A 110 4.793 14.300 -5.360 1.00 43.12 H new ATOM 0 HB2 LEU A 110 6.364 12.562 -7.286 1.00 31.53 H new ATOM 0 HB3 LEU A 110 6.972 14.059 -6.607 1.00 31.53 H new ATOM 0 HG LEU A 110 6.417 13.133 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.601 10.726 -3.910 1.00 41.22 H new ATOM 0 HD12 LEU A 110 5.078 11.221 -4.686 1.00 41.22 H new ATOM 0 HD13 LEU A 110 6.342 10.413 -5.643 1.00 41.22 H new ATOM 0 HD21 LEU A 110 8.587 11.692 -4.349 1.00 43.45 H new ATOM 0 HD22 LEU A 110 8.489 11.640 -6.125 1.00 43.45 H new ATOM 0 HD23 LEU A 110 8.772 13.188 -5.294 1.00 43.45 H new ATOM 1601 N ALA A 111 4.128 14.252 -8.591 1.00 22.40 N ATOM 1602 CA ALA A 111 3.555 15.044 -9.674 1.00 1.01 C ATOM 1603 C ALA A 111 2.214 15.675 -9.262 1.00 71.44 C ATOM 1604 O ALA A 111 2.120 16.903 -9.181 1.00 14.30 O ATOM 1605 CB ALA A 111 3.431 14.180 -10.937 1.00 21.10 C ATOM 0 H ALA A 111 4.238 13.267 -8.831 1.00 22.40 H new ATOM 0 HA ALA A 111 4.224 15.875 -9.898 1.00 1.01 H new ATOM 0 HB1 ALA A 111 3.003 14.775 -11.744 1.00 21.10 H new ATOM 0 HB2 ALA A 111 4.418 13.824 -11.233 1.00 21.10 H new ATOM 0 HB3 ALA A 111 2.784 13.327 -10.732 1.00 21.10 H new ATOM 1611 N ARG A 112 1.171 14.868 -8.997 1.00 62.45 N ATOM 1612 CA ARG A 112 -0.185 15.373 -8.749 1.00 1.13 C ATOM 1613 C ARG A 112 -0.186 16.387 -7.608 1.00 23.11 C ATOM 1614 O ARG A 112 -0.805 17.440 -7.738 1.00 2.13 O ATOM 1615 CB ARG A 112 -1.176 14.234 -8.436 1.00 60.23 C ATOM 1616 CG ARG A 112 -1.236 13.099 -9.476 1.00 2.32 C ATOM 1617 CD ARG A 112 -2.646 12.733 -9.954 1.00 74.33 C ATOM 1618 NE ARG A 112 -3.291 13.806 -10.733 1.00 1.20 N ATOM 1619 CZ ARG A 112 -2.919 14.302 -11.920 1.00 14.20 C ATOM 1620 NH1 ARG A 112 -1.855 13.812 -12.537 1.00 31.11 N ATOM 1621 NH2 ARG A 112 -3.607 15.286 -12.491 1.00 64.34 N ATOM 0 H ARG A 112 1.247 13.852 -8.950 1.00 62.45 H new ATOM 0 HA ARG A 112 -0.514 15.864 -9.665 1.00 1.13 H new ATOM 0 HB2 ARG A 112 -0.913 13.804 -7.470 1.00 60.23 H new ATOM 0 HB3 ARG A 112 -2.173 14.662 -8.334 1.00 60.23 H new ATOM 0 HG2 ARG A 112 -0.639 13.387 -10.341 1.00 2.32 H new ATOM 0 HG3 ARG A 112 -0.771 12.210 -9.049 1.00 2.32 H new ATOM 0 HD2 ARG A 112 -2.593 11.831 -10.564 1.00 74.33 H new ATOM 0 HD3 ARG A 112 -3.266 12.497 -9.089 1.00 74.33 H new ATOM 0 HE ARG A 112 -4.124 14.222 -10.316 1.00 1.20 H new ATOM 0 HH11 ARG A 112 -1.319 13.057 -12.108 1.00 31.11 H new ATOM 0 HH12 ARG A 112 -1.571 14.189 -13.441 1.00 31.11 H new ATOM 0 HH21 ARG A 112 -4.428 15.672 -12.025 1.00 64.34 H new ATOM 0 HH22 ARG A 112 -3.314 15.655 -13.395 1.00 64.34 H new ATOM 1632 N LEU A 113 0.528 16.088 -6.517 1.00 40.24 N ATOM 1633 CA LEU A 113 0.699 16.889 -5.312 1.00 24.40 C ATOM 1634 C LEU A 113 1.195 18.267 -5.685 1.00 31.33 C ATOM 1635 O LEU A 113 0.564 19.262 -5.324 1.00 34.55 O ATOM 1636 CB LEU A 113 1.660 16.164 -4.344 1.00 53.05 C ATOM 1637 CG LEU A 113 2.058 16.852 -3.026 1.00 40.42 C ATOM 1638 CD1 LEU A 113 3.151 17.909 -3.173 1.00 35.40 C ATOM 1639 CD2 LEU A 113 0.880 17.473 -2.300 1.00 51.43 C ATOM 0 H LEU A 113 1.040 15.208 -6.455 1.00 40.24 H new ATOM 0 HA LEU A 113 -0.255 17.012 -4.800 1.00 24.40 H new ATOM 0 HB2 LEU A 113 1.208 15.205 -4.090 1.00 53.05 H new ATOM 0 HB3 LEU A 113 2.577 15.949 -4.892 1.00 53.05 H new ATOM 0 HG LEU A 113 2.459 16.031 -2.432 1.00 40.42 H new ATOM 0 HD11 LEU A 113 3.371 18.343 -2.198 1.00 35.40 H new ATOM 0 HD12 LEU A 113 4.052 17.447 -3.576 1.00 35.40 H new ATOM 0 HD13 LEU A 113 2.811 18.692 -3.851 1.00 35.40 H new ATOM 0 HD21 LEU A 113 1.226 17.942 -1.379 1.00 51.43 H new ATOM 0 HD22 LEU A 113 0.415 18.225 -2.938 1.00 51.43 H new ATOM 0 HD23 LEU A 113 0.151 16.699 -2.061 1.00 51.43 H new ATOM 1650 N ARG A 114 2.327 18.335 -6.388 1.00 31.12 N ATOM 1651 CA ARG A 114 2.950 19.608 -6.711 1.00 72.13 C ATOM 1652 C ARG A 114 2.046 20.415 -7.631 1.00 24.51 C ATOM 1653 O ARG A 114 1.865 21.616 -7.422 1.00 72.33 O ATOM 1654 CB ARG A 114 4.319 19.366 -7.352 1.00 62.23 C ATOM 1655 CG ARG A 114 5.352 18.937 -6.298 1.00 42.25 C ATOM 1656 CD ARG A 114 6.599 18.309 -6.929 1.00 20.20 C ATOM 1657 NE ARG A 114 7.833 19.005 -6.532 1.00 15.31 N ATOM 1658 CZ ARG A 114 8.804 18.555 -5.729 1.00 3.11 C ATOM 1659 NH1 ARG A 114 8.669 17.426 -5.039 1.00 53.41 N ATOM 1660 NH2 ARG A 114 9.950 19.215 -5.621 1.00 53.13 N ATOM 0 H ARG A 114 2.827 17.520 -6.742 1.00 31.12 H new ATOM 0 HA ARG A 114 3.097 20.183 -5.796 1.00 72.13 H new ATOM 0 HB2 ARG A 114 4.235 18.596 -8.118 1.00 62.23 H new ATOM 0 HB3 ARG A 114 4.658 20.275 -7.849 1.00 62.23 H new ATOM 0 HG2 ARG A 114 5.645 19.804 -5.705 1.00 42.25 H new ATOM 0 HG3 ARG A 114 4.895 18.222 -5.614 1.00 42.25 H new ATOM 0 HD2 ARG A 114 6.664 17.261 -6.635 1.00 20.20 H new ATOM 0 HD3 ARG A 114 6.505 18.331 -8.015 1.00 20.20 H new ATOM 0 HE ARG A 114 7.964 19.942 -6.914 1.00 15.31 H new ATOM 0 HH11 ARG A 114 7.810 16.881 -5.115 1.00 53.41 H new ATOM 0 HH12 ARG A 114 9.425 17.105 -4.434 1.00 53.41 H new ATOM 0 HH21 ARG A 114 10.096 20.073 -6.153 1.00 53.13 H new ATOM 0 HH22 ARG A 114 10.685 18.864 -5.006 1.00 53.13 H new ATOM 1671 N ALA A 115 1.437 19.753 -8.617 1.00 14.21 N ATOM 1672 CA ALA A 115 0.578 20.398 -9.586 1.00 1.13 C ATOM 1673 C ALA A 115 -0.711 20.901 -8.937 1.00 40.22 C ATOM 1674 O ALA A 115 -1.309 21.834 -9.468 1.00 73.12 O ATOM 1675 CB ALA A 115 0.291 19.437 -10.741 1.00 41.21 C ATOM 0 H ALA A 115 1.533 18.747 -8.758 1.00 14.21 H new ATOM 0 HA ALA A 115 1.092 21.273 -9.985 1.00 1.13 H new ATOM 0 HB1 ALA A 115 -0.356 19.926 -11.469 1.00 41.21 H new ATOM 0 HB2 ALA A 115 1.228 19.155 -11.221 1.00 41.21 H new ATOM 0 HB3 ALA A 115 -0.204 18.545 -10.357 1.00 41.21 H new ATOM 1681 N ALA A 116 -1.089 20.345 -7.782 1.00 11.15 N ATOM 1682 CA ALA A 116 -2.343 20.599 -7.086 1.00 22.24 C ATOM 1683 C ALA A 116 -2.141 21.365 -5.777 1.00 53.33 C ATOM 1684 O ALA A 116 -3.096 21.571 -5.036 1.00 21.33 O ATOM 1685 CB ALA A 116 -3.057 19.279 -6.790 1.00 13.11 C ATOM 0 H ALA A 116 -0.498 19.676 -7.289 1.00 11.15 H new ATOM 0 HA ALA A 116 -2.951 21.219 -7.746 1.00 22.24 H new ATOM 0 HB1 ALA A 116 -3.993 19.481 -6.270 1.00 13.11 H new ATOM 0 HB2 ALA A 116 -3.266 18.761 -7.726 1.00 13.11 H new ATOM 0 HB3 ALA A 116 -2.421 18.654 -6.163 1.00 13.11 H new ATOM 1691 N LYS A 117 -0.905 21.783 -5.479 1.00 52.40 N ATOM 1692 CA LYS A 117 -0.538 22.562 -4.297 1.00 31.24 C ATOM 1693 C LYS A 117 -1.016 21.939 -2.973 1.00 3.41 C ATOM 1694 O LYS A 117 -1.254 22.668 -2.007 1.00 73.30 O ATOM 1695 CB LYS A 117 -1.036 24.009 -4.474 1.00 64.23 C ATOM 1696 CG LYS A 117 -0.549 24.691 -5.766 1.00 32.42 C ATOM 1697 CD LYS A 117 -1.422 24.399 -7.002 1.00 2.12 C ATOM 1698 CE LYS A 117 -1.259 25.463 -8.081 1.00 43.43 C ATOM 1699 NZ LYS A 117 0.107 25.517 -8.635 1.00 52.44 N ATOM 0 H LYS A 117 -0.106 21.579 -6.079 1.00 52.40 H new ATOM 0 HA LYS A 117 0.549 22.560 -4.220 1.00 31.24 H new ATOM 0 HB2 LYS A 117 -2.126 24.010 -4.465 1.00 64.23 H new ATOM 0 HB3 LYS A 117 -0.710 24.601 -3.619 1.00 64.23 H new ATOM 0 HG2 LYS A 117 -0.516 25.768 -5.605 1.00 32.42 H new ATOM 0 HG3 LYS A 117 0.472 24.368 -5.971 1.00 32.42 H new ATOM 0 HD2 LYS A 117 -1.156 23.424 -7.411 1.00 2.12 H new ATOM 0 HD3 LYS A 117 -2.468 24.344 -6.702 1.00 2.12 H new ATOM 0 HE2 LYS A 117 -1.965 25.266 -8.888 1.00 43.43 H new ATOM 0 HE3 LYS A 117 -1.515 26.437 -7.665 1.00 43.43 H new ATOM 0 HZ1 LYS A 117 0.157 26.258 -9.363 1.00 52.44 H new ATOM 0 HZ2 LYS A 117 0.782 25.733 -7.874 1.00 52.44 H new ATOM 0 HZ3 LYS A 117 0.346 24.598 -9.059 1.00 52.44 H new ATOM 1709 N ALA A 118 -1.167 20.615 -2.918 1.00 33.31 N ATOM 1710 CA ALA A 118 -1.816 19.936 -1.805 1.00 34.54 C ATOM 1711 C ALA A 118 -0.874 19.792 -0.592 1.00 23.31 C ATOM 1712 O ALA A 118 0.219 20.367 -0.557 1.00 31.55 O ATOM 1713 CB ALA A 118 -2.399 18.614 -2.328 1.00 75.10 C ATOM 0 H ALA A 118 -0.840 19.984 -3.650 1.00 33.31 H new ATOM 0 HA ALA A 118 -2.642 20.531 -1.416 1.00 34.54 H new ATOM 0 HB1 ALA A 118 -2.891 18.085 -1.512 1.00 75.10 H new ATOM 0 HB2 ALA A 118 -3.124 18.822 -3.115 1.00 75.10 H new ATOM 0 HB3 ALA A 118 -1.596 17.995 -2.729 1.00 75.10 H new ATOM 1719 N SER A 119 -1.315 19.081 0.449 1.00 73.30 N ATOM 1720 CA SER A 119 -0.561 18.907 1.694 1.00 72.41 C ATOM 1721 C SER A 119 0.698 18.058 1.473 1.00 24.42 C ATOM 1722 O SER A 119 0.647 16.967 0.911 1.00 75.13 O ATOM 1723 CB SER A 119 -1.447 18.327 2.804 1.00 1.41 C ATOM 1724 OG SER A 119 -2.747 18.903 2.782 1.00 62.34 O ATOM 0 H SER A 119 -2.217 18.604 0.451 1.00 73.30 H new ATOM 0 HA SER A 119 -0.232 19.893 2.021 1.00 72.41 H new ATOM 0 HB2 SER A 119 -1.524 17.246 2.684 1.00 1.41 H new ATOM 0 HB3 SER A 119 -0.983 18.508 3.774 1.00 1.41 H new ATOM 0 HG SER A 119 -3.290 18.513 3.499 1.00 62.34 H new ATOM 1729 N ARG A 120 1.858 18.541 1.905 1.00 11.14 N ATOM 1730 CA ARG A 120 3.153 17.923 1.655 1.00 15.25 C ATOM 1731 C ARG A 120 3.690 17.489 3.012 1.00 1.34 C ATOM 1732 O ARG A 120 4.624 18.080 3.544 1.00 2.11 O ATOM 1733 CB ARG A 120 4.104 18.873 0.879 1.00 71.43 C ATOM 1734 CG ARG A 120 3.440 19.960 0.013 1.00 33.31 C ATOM 1735 CD ARG A 120 4.486 20.697 -0.832 1.00 55.23 C ATOM 1736 NE ARG A 120 4.145 22.118 -1.018 1.00 74.42 N ATOM 1737 CZ ARG A 120 4.857 23.182 -0.617 1.00 61.20 C ATOM 1738 NH1 ARG A 120 6.085 23.054 -0.119 1.00 63.34 N ATOM 1739 NH2 ARG A 120 4.314 24.382 -0.731 1.00 35.52 N ATOM 0 H ARG A 120 1.924 19.398 2.454 1.00 11.14 H new ATOM 0 HA ARG A 120 3.065 17.054 1.004 1.00 15.25 H new ATOM 0 HB2 ARG A 120 4.757 19.364 1.600 1.00 71.43 H new ATOM 0 HB3 ARG A 120 4.740 18.266 0.235 1.00 71.43 H new ATOM 0 HG2 ARG A 120 2.693 19.506 -0.639 1.00 33.31 H new ATOM 0 HG3 ARG A 120 2.916 20.671 0.652 1.00 33.31 H new ATOM 0 HD2 ARG A 120 5.461 20.618 -0.351 1.00 55.23 H new ATOM 0 HD3 ARG A 120 4.571 20.214 -1.806 1.00 55.23 H new ATOM 0 HE ARG A 120 3.271 22.315 -1.506 1.00 74.42 H new ATOM 0 HH11 ARG A 120 6.507 22.129 -0.035 1.00 63.34 H new ATOM 0 HH12 ARG A 120 6.604 23.881 0.178 1.00 63.34 H new ATOM 0 HH21 ARG A 120 3.375 24.482 -1.116 1.00 35.52 H new ATOM 0 HH22 ARG A 120 4.834 25.207 -0.433 1.00 35.52 H new ATOM 1750 N GLU A 121 3.041 16.497 3.604 1.00 43.35 N ATOM 1751 CA GLU A 121 3.393 15.946 4.912 1.00 41.12 C ATOM 1752 C GLU A 121 4.855 15.477 4.974 1.00 63.31 C ATOM 1753 O GLU A 121 5.434 15.169 3.929 1.00 23.10 O ATOM 1754 CB GLU A 121 2.466 14.773 5.196 1.00 62.41 C ATOM 1755 CG GLU A 121 0.993 15.192 5.393 1.00 2.43 C ATOM 1756 CD GLU A 121 0.825 16.552 6.095 1.00 2.40 C ATOM 1757 OE1 GLU A 121 0.833 17.606 5.410 1.00 41.30 O ATOM 1758 OE2 GLU A 121 0.826 16.603 7.341 1.00 52.04 O ATOM 0 H GLU A 121 2.234 16.039 3.180 1.00 43.35 H new ATOM 0 HA GLU A 121 3.279 16.730 5.661 1.00 41.12 H new ATOM 0 HB2 GLU A 121 2.527 14.063 4.371 1.00 62.41 H new ATOM 0 HB3 GLU A 121 2.812 14.254 6.090 1.00 62.41 H new ATOM 0 HG2 GLU A 121 0.503 15.232 4.420 1.00 2.43 H new ATOM 0 HG3 GLU A 121 0.482 14.426 5.976 1.00 2.43 H new ATOM 1763 N PRO A 122 5.459 15.358 6.173 1.00 74.45 N ATOM 1764 CA PRO A 122 6.879 15.083 6.305 1.00 71.22 C ATOM 1765 C PRO A 122 7.204 13.638 5.962 1.00 22.42 C ATOM 1766 O PRO A 122 6.799 12.708 6.659 1.00 33.53 O ATOM 1767 CB PRO A 122 7.223 15.377 7.766 1.00 34.50 C ATOM 1768 CG PRO A 122 5.894 15.240 8.500 1.00 61.53 C ATOM 1769 CD PRO A 122 4.864 15.644 7.462 1.00 53.25 C ATOM 0 HA PRO A 122 7.460 15.696 5.616 1.00 71.22 H new ATOM 0 HB2 PRO A 122 7.964 14.675 8.149 1.00 34.50 H new ATOM 0 HB3 PRO A 122 7.641 16.377 7.883 1.00 34.50 H new ATOM 0 HG2 PRO A 122 5.732 14.220 8.848 1.00 61.53 H new ATOM 0 HG3 PRO A 122 5.853 15.886 9.377 1.00 61.53 H new ATOM 0 HD2 PRO A 122 3.937 15.087 7.596 1.00 53.25 H new ATOM 0 HD3 PRO A 122 4.616 16.702 7.551 1.00 53.25 H new ATOM 1774 N LEU A 123 7.957 13.456 4.887 1.00 53.31 N ATOM 1775 CA LEU A 123 8.381 12.149 4.381 1.00 75.42 C ATOM 1776 C LEU A 123 9.884 12.010 4.203 1.00 73.32 C ATOM 1777 O LEU A 123 10.357 10.959 3.783 1.00 21.21 O ATOM 1778 CB LEU A 123 7.567 11.663 3.174 1.00 0.30 C ATOM 1779 CG LEU A 123 7.806 12.254 1.782 1.00 3.10 C ATOM 1780 CD1 LEU A 123 7.961 13.763 1.898 1.00 3.42 C ATOM 1781 CD2 LEU A 123 9.036 11.700 1.045 1.00 11.12 C ATOM 0 H LEU A 123 8.302 14.233 4.323 1.00 53.31 H new ATOM 0 HA LEU A 123 8.138 11.452 5.183 1.00 75.42 H new ATOM 0 HB2 LEU A 123 7.720 10.587 3.096 1.00 0.30 H new ATOM 0 HB3 LEU A 123 6.515 11.819 3.413 1.00 0.30 H new ATOM 0 HG LEU A 123 6.936 11.968 1.192 1.00 3.10 H new ATOM 0 HD11 LEU A 123 8.131 14.188 0.909 1.00 3.42 H new ATOM 0 HD12 LEU A 123 7.054 14.190 2.325 1.00 3.42 H new ATOM 0 HD13 LEU A 123 8.809 13.993 2.543 1.00 3.42 H new ATOM 0 HD21 LEU A 123 9.122 12.178 0.069 1.00 11.12 H new ATOM 0 HD22 LEU A 123 9.933 11.904 1.629 1.00 11.12 H new ATOM 0 HD23 LEU A 123 8.927 10.624 0.913 1.00 11.12 H new ATOM 1792 N ILE A 124 10.618 13.074 4.526 1.00 12.20 N ATOM 1793 CA ILE A 124 12.028 13.200 4.220 1.00 15.11 C ATOM 1794 C ILE A 124 12.778 12.079 4.919 1.00 14.21 C ATOM 1795 O ILE A 124 12.571 11.819 6.105 1.00 62.32 O ATOM 1796 CB ILE A 124 12.591 14.572 4.642 1.00 41.32 C ATOM 1797 CG1 ILE A 124 11.629 15.751 4.382 1.00 11.42 C ATOM 1798 CG2 ILE A 124 13.923 14.840 3.921 1.00 52.32 C ATOM 1799 CD1 ILE A 124 10.858 16.157 5.648 1.00 34.42 C ATOM 0 H ILE A 124 10.235 13.883 5.016 1.00 12.20 H new ATOM 0 HA ILE A 124 12.159 13.126 3.140 1.00 15.11 H new ATOM 0 HB ILE A 124 12.736 14.515 5.721 1.00 41.32 H new ATOM 0 HG12 ILE A 124 12.195 16.606 4.013 1.00 11.42 H new ATOM 0 HG13 ILE A 124 10.922 15.476 3.600 1.00 11.42 H new ATOM 0 HG21 ILE A 124 14.313 15.811 4.226 1.00 52.32 H new ATOM 0 HG22 ILE A 124 14.641 14.063 4.182 1.00 52.32 H new ATOM 0 HG23 ILE A 124 13.761 14.836 2.843 1.00 52.32 H new ATOM 0 HD11 ILE A 124 10.194 16.990 5.418 1.00 34.42 H new ATOM 0 HD12 ILE A 124 10.270 15.311 6.003 1.00 34.42 H new ATOM 0 HD13 ILE A 124 11.563 16.459 6.422 1.00 34.42 H new ATOM 1810 N ASP A 125 13.704 11.492 4.192 1.00 13.34 N ATOM 1811 CA ASP A 125 14.635 10.474 4.647 1.00 4.33 C ATOM 1812 C ASP A 125 15.926 10.703 3.865 1.00 40.05 C ATOM 1813 O ASP A 125 15.884 11.127 2.706 1.00 61.24 O ATOM 1814 CB ASP A 125 14.038 9.080 4.403 1.00 11.23 C ATOM 1815 CG ASP A 125 14.837 7.940 5.043 1.00 64.33 C ATOM 1816 OD1 ASP A 125 16.038 8.109 5.340 1.00 15.22 O ATOM 1817 OD2 ASP A 125 14.262 6.835 5.174 1.00 24.41 O ATOM 0 H ASP A 125 13.838 11.725 3.208 1.00 13.34 H new ATOM 0 HA ASP A 125 14.835 10.536 5.717 1.00 4.33 H new ATOM 0 HB2 ASP A 125 13.020 9.059 4.791 1.00 11.23 H new ATOM 0 HB3 ASP A 125 13.973 8.906 3.329 1.00 11.23 H new ATOM 1821 N MET A 126 17.072 10.481 4.507 1.00 72.11 N ATOM 1822 CA MET A 126 18.396 10.638 3.914 1.00 55.33 C ATOM 1823 C MET A 126 18.869 9.336 3.249 1.00 64.12 C ATOM 1824 O MET A 126 19.926 9.309 2.617 1.00 74.05 O ATOM 1825 CB MET A 126 19.367 11.132 4.998 1.00 73.01 C ATOM 1826 CG MET A 126 20.683 11.678 4.438 1.00 24.04 C ATOM 1827 SD MET A 126 21.642 12.666 5.617 1.00 22.00 S ATOM 1828 CE MET A 126 20.688 14.214 5.620 1.00 40.15 C ATOM 0 H MET A 126 17.104 10.179 5.481 1.00 72.11 H new ATOM 0 HA MET A 126 18.358 11.381 3.118 1.00 55.33 H new ATOM 0 HB2 MET A 126 18.879 11.912 5.583 1.00 73.01 H new ATOM 0 HB3 MET A 126 19.585 10.311 5.681 1.00 73.01 H new ATOM 0 HG2 MET A 126 21.295 10.842 4.100 1.00 24.04 H new ATOM 0 HG3 MET A 126 20.466 12.289 3.562 1.00 24.04 H new ATOM 0 HE1 MET A 126 21.219 14.968 6.202 1.00 40.15 H new ATOM 0 HE2 MET A 126 20.564 14.567 4.596 1.00 40.15 H new ATOM 0 HE3 MET A 126 19.708 14.037 6.064 1.00 40.15 H new ATOM 1836 N ALA A 127 18.100 8.251 3.342 1.00 53.31 N ATOM 1837 CA ALA A 127 18.421 6.934 2.850 1.00 43.45 C ATOM 1838 C ALA A 127 17.300 6.474 1.921 1.00 3.34 C ATOM 1839 O ALA A 127 16.354 5.817 2.353 1.00 60.31 O ATOM 1840 CB ALA A 127 18.673 6.000 4.040 1.00 44.23 C ATOM 0 H ALA A 127 17.185 8.282 3.791 1.00 53.31 H new ATOM 0 HA ALA A 127 19.338 6.931 2.261 1.00 43.45 H new ATOM 0 HB1 ALA A 127 18.916 5.002 3.674 1.00 44.23 H new ATOM 0 HB2 ALA A 127 19.504 6.382 4.633 1.00 44.23 H new ATOM 0 HB3 ALA A 127 17.778 5.951 4.660 1.00 44.23 H new ATOM 1846 N VAL A 128 17.390 6.841 0.647 1.00 1.11 N ATOM 1847 CA VAL A 128 16.392 6.552 -0.383 1.00 44.14 C ATOM 1848 C VAL A 128 17.086 5.859 -1.563 1.00 41.45 C ATOM 1849 O VAL A 128 18.248 6.156 -1.877 1.00 74.45 O ATOM 1850 CB VAL A 128 15.690 7.859 -0.808 1.00 34.04 C ATOM 1851 CG1 VAL A 128 14.488 7.598 -1.718 1.00 60.15 C ATOM 1852 CG2 VAL A 128 15.171 8.687 0.384 1.00 3.24 C ATOM 0 H VAL A 128 18.187 7.367 0.288 1.00 1.11 H new ATOM 0 HA VAL A 128 15.624 5.882 0.002 1.00 44.14 H new ATOM 0 HB VAL A 128 16.465 8.416 -1.335 1.00 34.04 H new ATOM 0 HG11 VAL A 128 14.026 8.547 -1.991 1.00 60.15 H new ATOM 0 HG12 VAL A 128 14.819 7.083 -2.620 1.00 60.15 H new ATOM 0 HG13 VAL A 128 13.761 6.979 -1.192 1.00 60.15 H new ATOM 0 HG21 VAL A 128 14.689 9.592 0.016 1.00 3.24 H new ATOM 0 HG22 VAL A 128 14.451 8.097 0.951 1.00 3.24 H new ATOM 0 HG23 VAL A 128 16.006 8.958 1.030 1.00 3.24 H new ATOM 1862 N LYS A 129 16.381 4.925 -2.206 1.00 11.44 N ATOM 1863 CA LYS A 129 16.820 4.054 -3.289 1.00 15.21 C ATOM 1864 C LYS A 129 15.838 4.182 -4.449 1.00 33.01 C ATOM 1865 O LYS A 129 14.631 4.121 -4.229 1.00 40.42 O ATOM 1866 CB LYS A 129 16.822 2.604 -2.781 1.00 64.43 C ATOM 1867 CG LYS A 129 18.137 2.160 -2.138 1.00 20.01 C ATOM 1868 CD LYS A 129 18.572 2.971 -0.912 1.00 13.31 C ATOM 1869 CE LYS A 129 19.528 2.184 -0.016 1.00 62.23 C ATOM 1870 NZ LYS A 129 18.800 1.263 0.880 1.00 0.54 N ATOM 0 H LYS A 129 15.408 4.747 -1.959 1.00 11.44 H new ATOM 0 HA LYS A 129 17.820 4.332 -3.621 1.00 15.21 H new ATOM 0 HB2 LYS A 129 16.018 2.486 -2.054 1.00 64.43 H new ATOM 0 HB3 LYS A 129 16.597 1.940 -3.615 1.00 64.43 H new ATOM 0 HG2 LYS A 129 18.045 1.114 -1.847 1.00 20.01 H new ATOM 0 HG3 LYS A 129 18.926 2.214 -2.888 1.00 20.01 H new ATOM 0 HD2 LYS A 129 19.056 3.891 -1.239 1.00 13.31 H new ATOM 0 HD3 LYS A 129 17.692 3.260 -0.338 1.00 13.31 H new ATOM 0 HE2 LYS A 129 20.223 1.617 -0.635 1.00 62.23 H new ATOM 0 HE3 LYS A 129 20.123 2.877 0.579 1.00 62.23 H new ATOM 0 HZ1 LYS A 129 19.480 0.746 1.473 1.00 0.54 H new ATOM 0 HZ2 LYS A 129 18.155 1.807 1.487 1.00 0.54 H new ATOM 0 HZ3 LYS A 129 18.252 0.586 0.311 1.00 0.54 H new ATOM 1880 N TYR A 130 16.358 4.282 -5.667 1.00 73.04 N ATOM 1881 CA TYR A 130 15.634 4.375 -6.927 1.00 63.14 C ATOM 1882 C TYR A 130 16.098 3.211 -7.803 1.00 62.35 C ATOM 1883 O TYR A 130 17.230 3.227 -8.300 1.00 34.42 O ATOM 1884 CB TYR A 130 15.945 5.718 -7.596 1.00 52.51 C ATOM 1885 CG TYR A 130 15.246 6.912 -6.977 1.00 52.51 C ATOM 1886 CD1 TYR A 130 15.803 7.562 -5.858 1.00 24.20 C ATOM 1887 CD2 TYR A 130 14.036 7.376 -7.530 1.00 41.21 C ATOM 1888 CE1 TYR A 130 15.152 8.668 -5.286 1.00 11.13 C ATOM 1889 CE2 TYR A 130 13.391 8.495 -6.975 1.00 31.43 C ATOM 1890 CZ TYR A 130 13.940 9.140 -5.844 1.00 24.20 C ATOM 1891 OH TYR A 130 13.296 10.207 -5.294 1.00 60.04 O ATOM 0 H TYR A 130 17.368 4.301 -5.809 1.00 73.04 H new ATOM 0 HA TYR A 130 14.556 4.320 -6.772 1.00 63.14 H new ATOM 0 HB2 TYR A 130 17.021 5.886 -7.560 1.00 52.51 H new ATOM 0 HB3 TYR A 130 15.667 5.657 -8.648 1.00 52.51 H new ATOM 0 HD1 TYR A 130 16.733 7.209 -5.438 1.00 24.20 H new ATOM 0 HD2 TYR A 130 13.604 6.871 -8.381 1.00 41.21 H new ATOM 0 HE1 TYR A 130 15.576 9.157 -4.422 1.00 11.13 H new ATOM 0 HE2 TYR A 130 12.475 8.862 -7.414 1.00 31.43 H new ATOM 0 HH TYR A 130 12.481 10.396 -5.804 1.00 60.04 H new ATOM 1900 N HIS A 131 15.255 2.193 -7.972 1.00 13.11 N ATOM 1901 CA HIS A 131 15.520 1.023 -8.802 1.00 33.42 C ATOM 1902 C HIS A 131 14.253 0.685 -9.608 1.00 33.32 C ATOM 1903 O HIS A 131 13.315 1.484 -9.654 1.00 35.12 O ATOM 1904 CB HIS A 131 16.008 -0.146 -7.923 1.00 41.22 C ATOM 1905 CG HIS A 131 17.215 0.156 -7.063 1.00 40.53 C ATOM 1906 ND1 HIS A 131 18.523 0.291 -7.482 1.00 20.24 N ATOM 1907 CD2 HIS A 131 17.211 0.291 -5.702 1.00 20.13 C ATOM 1908 CE1 HIS A 131 19.291 0.476 -6.396 1.00 14.41 C ATOM 1909 NE2 HIS A 131 18.540 0.455 -5.280 1.00 13.51 N ATOM 0 H HIS A 131 14.341 2.161 -7.520 1.00 13.11 H new ATOM 0 HA HIS A 131 16.318 1.227 -9.516 1.00 33.42 H new ATOM 0 HB2 HIS A 131 15.189 -0.459 -7.275 1.00 41.22 H new ATOM 0 HB3 HIS A 131 16.244 -0.991 -8.569 1.00 41.22 H new ATOM 0 HD2 HIS A 131 16.339 0.274 -5.064 1.00 20.13 H new ATOM 0 HE1 HIS A 131 20.361 0.621 -6.416 1.00 14.41 H new ATOM 0 HE2 HIS A 131 18.870 0.541 -4.319 1.00 13.51 H new ATOM 1916 N THR A 132 14.253 -0.469 -10.280 1.00 71.15 N ATOM 1917 CA THR A 132 13.165 -0.945 -11.127 1.00 61.24 C ATOM 1918 C THR A 132 11.953 -1.214 -10.230 1.00 23.42 C ATOM 1919 O THR A 132 10.908 -0.554 -10.392 1.00 14.41 O ATOM 1920 CB THR A 132 13.685 -2.142 -11.949 1.00 74.23 C ATOM 1921 OG1 THR A 132 12.854 -2.450 -13.046 1.00 35.12 O ATOM 1922 CG2 THR A 132 13.973 -3.437 -11.174 1.00 43.23 C ATOM 0 H THR A 132 15.040 -1.118 -10.246 1.00 71.15 H new ATOM 0 HA THR A 132 12.826 -0.217 -11.864 1.00 61.24 H new ATOM 0 HB THR A 132 14.651 -1.769 -12.288 1.00 74.23 H new ATOM 0 HG1 THR A 132 13.227 -3.213 -13.535 1.00 35.12 H new ATOM 0 HG21 THR A 132 14.332 -4.201 -11.863 1.00 43.23 H new ATOM 0 HG22 THR A 132 14.733 -3.246 -10.416 1.00 43.23 H new ATOM 0 HG23 THR A 132 13.059 -3.784 -10.692 1.00 43.23 H new TER 1930 THR A 132