USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 104 SER OG : rot 150:sc= -0.917 USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 X(o=-0.92,f=-1) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.0499 X(o=-1.4,f=-1.8) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0795 K(o=-1.4,f=-2.4) USER MOD Set 2.3: A 70 GLN :FLIP amide:sc= -1.56 F(o=-2.4,f=-1.4) USER MOD Set 3.1: A 37 SER OG : rot 14:sc= 0.422 USER MOD Set 3.2: A 38 GLN :FLIP amide:sc= -0.444 F(o=-1.5,f=-0.021) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.74 X(o=-0.18,f=-0.37) USER MOD Set 4.2: A 35 THR OG1 : rot 66:sc= 0.308 USER MOD Set 4.3: A 59 ASN : amide:sc= 0.252 X(o=-0.18,f=-0.37) USER MOD Set 5.1: A 24 HIS :FLIP no HE2:sc= 0.0686 F(o=-0.66,f=0.14) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.0699 K(o=0.14,f=-0.43) USER MOD Single : A 1 MET CE :methyl 137:sc= -0.161 (180deg=-0.62) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0665) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 0.481 (180deg=0.397) USER MOD Single : A 9 SER OG : rot 150:sc= -0.221 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 160:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.224 K(o=-0.22,f=-3.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 0.5 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= 0.0767 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -7:sc= 1.05 USER MOD Single : A 47 MET CE :methyl -145:sc= -0.0224 (180deg=-1.17) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 1.34 (180deg=-0.246) USER MOD Single : A 50 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 0.848 (180deg=-0.829) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0546 K(o=-0.055,f=-2.3!) USER MOD Single : A 71 ASN : amide:sc= -0.0296 K(o=-0.03,f=-0.69) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 84 LYS NZ :NH3+ -176:sc=-0.00251 (180deg=-0.0345) USER MOD Single : A 85 SER OG : rot -145:sc= 0.03 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00467 USER MOD Single : A 92 THR OG1 : rot 82:sc= 1.44 USER MOD Single : A 93 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -82:sc= 0.516 USER MOD Single : A 108 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 110 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.48) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.614 4.841 15.362 1.00 73.22 N ATOM 2 CA MET A 1 3.226 3.493 15.310 1.00 33.12 C ATOM 3 C MET A 1 3.372 3.057 13.850 1.00 42.32 C ATOM 4 O MET A 1 2.490 2.385 13.296 1.00 64.54 O ATOM 5 CB MET A 1 2.388 2.477 16.137 1.00 61.34 C ATOM 6 CG MET A 1 2.321 2.803 17.632 1.00 22.32 C ATOM 7 SD MET A 1 1.445 1.556 18.591 1.00 73.31 S ATOM 8 CE MET A 1 2.480 0.114 18.350 1.00 71.22 C ATOM 0 H1 MET A 1 2.622 5.189 16.342 1.00 73.22 H new ATOM 0 H2 MET A 1 3.156 5.492 14.759 1.00 73.22 H new ATOM 0 H3 MET A 1 1.633 4.790 15.021 1.00 73.22 H new ATOM 0 HA MET A 1 4.219 3.526 15.758 1.00 33.12 H new ATOM 0 HB2 MET A 1 1.375 2.444 15.736 1.00 61.34 H new ATOM 0 HB3 MET A 1 2.813 1.481 16.010 1.00 61.34 H new ATOM 0 HG2 MET A 1 3.334 2.906 18.021 1.00 22.32 H new ATOM 0 HG3 MET A 1 1.829 3.767 17.766 1.00 22.32 H new ATOM 0 HE1 MET A 1 2.600 -0.411 19.298 1.00 71.22 H new ATOM 0 HE2 MET A 1 2.014 -0.551 17.623 1.00 71.22 H new ATOM 0 HE3 MET A 1 3.458 0.425 17.982 1.00 71.22 H new ATOM 20 N GLY A 2 4.485 3.507 13.220 1.00 5.41 N ATOM 21 CA GLY A 2 4.738 3.269 11.799 1.00 33.25 C ATOM 22 C GLY A 2 3.771 4.016 10.885 1.00 12.41 C ATOM 23 O GLY A 2 2.982 4.842 11.361 1.00 3.53 O ATOM 0 H GLY A 2 5.219 4.039 13.688 1.00 5.41 H new ATOM 0 HA2 GLY A 2 5.758 3.571 11.562 1.00 33.25 H new ATOM 0 HA3 GLY A 2 4.667 2.200 11.597 1.00 33.25 H new ATOM 27 N LYS A 3 3.863 3.766 9.568 1.00 12.40 N ATOM 28 CA LYS A 3 2.870 4.247 8.585 1.00 24.22 C ATOM 29 C LYS A 3 2.866 3.334 7.352 1.00 13.53 C ATOM 30 O LYS A 3 3.883 2.760 6.999 1.00 74.11 O ATOM 31 CB LYS A 3 3.118 5.732 8.170 1.00 34.05 C ATOM 32 CG LYS A 3 2.054 6.286 7.186 1.00 23.54 C ATOM 33 CD LYS A 3 2.259 7.762 6.787 1.00 33.24 C ATOM 34 CE LYS A 3 1.947 8.761 7.909 1.00 32.21 C ATOM 35 NZ LYS A 3 1.977 10.165 7.406 1.00 44.42 N ATOM 0 H LYS A 3 4.623 3.227 9.153 1.00 12.40 H new ATOM 0 HA LYS A 3 1.891 4.211 9.063 1.00 24.22 H new ATOM 0 HB2 LYS A 3 3.132 6.354 9.065 1.00 34.05 H new ATOM 0 HB3 LYS A 3 4.103 5.813 7.711 1.00 34.05 H new ATOM 0 HG2 LYS A 3 2.059 5.675 6.284 1.00 23.54 H new ATOM 0 HG3 LYS A 3 1.068 6.179 7.638 1.00 23.54 H new ATOM 0 HD2 LYS A 3 3.292 7.901 6.467 1.00 33.24 H new ATOM 0 HD3 LYS A 3 1.627 7.987 5.928 1.00 33.24 H new ATOM 0 HE2 LYS A 3 0.965 8.544 8.330 1.00 32.21 H new ATOM 0 HE3 LYS A 3 2.672 8.645 8.715 1.00 32.21 H new ATOM 0 HZ1 LYS A 3 1.538 10.795 8.108 1.00 44.42 H new ATOM 0 HZ2 LYS A 3 2.963 10.456 7.248 1.00 44.42 H new ATOM 0 HZ3 LYS A 3 1.451 10.224 6.511 1.00 44.42 H new ATOM 49 N VAL A 4 1.697 3.189 6.719 1.00 21.32 N ATOM 50 CA VAL A 4 1.535 2.435 5.465 1.00 64.15 C ATOM 51 C VAL A 4 1.092 3.400 4.352 1.00 1.43 C ATOM 52 O VAL A 4 0.306 4.307 4.602 1.00 30.40 O ATOM 53 CB VAL A 4 0.464 1.291 5.625 1.00 1.22 C ATOM 54 CG1 VAL A 4 0.380 0.431 4.347 1.00 0.43 C ATOM 55 CG2 VAL A 4 0.748 0.419 6.873 1.00 74.32 C ATOM 0 H VAL A 4 0.827 3.594 7.064 1.00 21.32 H new ATOM 0 HA VAL A 4 2.490 1.975 5.209 1.00 64.15 H new ATOM 0 HB VAL A 4 -0.507 1.764 5.774 1.00 1.22 H new ATOM 0 HG11 VAL A 4 -0.366 -0.352 4.483 1.00 0.43 H new ATOM 0 HG12 VAL A 4 0.096 1.060 3.503 1.00 0.43 H new ATOM 0 HG13 VAL A 4 1.351 -0.024 4.150 1.00 0.43 H new ATOM 0 HG21 VAL A 4 -0.010 -0.360 6.953 1.00 74.32 H new ATOM 0 HG22 VAL A 4 1.732 -0.040 6.780 1.00 74.32 H new ATOM 0 HG23 VAL A 4 0.722 1.043 7.766 1.00 74.32 H new ATOM 65 N LEU A 5 1.614 3.226 3.137 1.00 14.45 N ATOM 66 CA LEU A 5 1.133 3.930 1.945 1.00 0.44 C ATOM 67 C LEU A 5 0.247 2.960 1.157 1.00 3.23 C ATOM 68 O LEU A 5 0.751 2.028 0.517 1.00 12.21 O ATOM 69 CB LEU A 5 2.328 4.427 1.087 1.00 42.32 C ATOM 70 CG LEU A 5 1.963 5.252 -0.192 1.00 63.55 C ATOM 71 CD1 LEU A 5 1.184 6.537 0.161 1.00 31.30 C ATOM 72 CD2 LEU A 5 3.226 5.565 -1.029 1.00 3.23 C ATOM 0 H LEU A 5 2.388 2.588 2.950 1.00 14.45 H new ATOM 0 HA LEU A 5 0.556 4.811 2.227 1.00 0.44 H new ATOM 0 HB2 LEU A 5 2.972 5.040 1.718 1.00 42.32 H new ATOM 0 HB3 LEU A 5 2.914 3.560 0.780 1.00 42.32 H new ATOM 0 HG LEU A 5 1.303 4.637 -0.804 1.00 63.55 H new ATOM 0 HD11 LEU A 5 0.949 7.083 -0.753 1.00 31.30 H new ATOM 0 HD12 LEU A 5 0.259 6.273 0.674 1.00 31.30 H new ATOM 0 HD13 LEU A 5 1.793 7.165 0.812 1.00 31.30 H new ATOM 0 HD21 LEU A 5 2.944 6.139 -1.912 1.00 3.23 H new ATOM 0 HD22 LEU A 5 3.927 6.144 -0.428 1.00 3.23 H new ATOM 0 HD23 LEU A 5 3.698 4.632 -1.338 1.00 3.23 H new ATOM 84 N LEU A 6 -1.071 3.160 1.244 1.00 53.22 N ATOM 85 CA LEU A 6 -2.064 2.277 0.625 1.00 5.34 C ATOM 86 C LEU A 6 -2.262 2.720 -0.838 1.00 62.10 C ATOM 87 O LEU A 6 -2.991 3.684 -1.108 1.00 53.34 O ATOM 88 CB LEU A 6 -3.398 2.344 1.434 1.00 32.24 C ATOM 89 CG LEU A 6 -4.492 1.293 1.060 1.00 25.11 C ATOM 90 CD1 LEU A 6 -4.024 -0.142 1.378 1.00 51.12 C ATOM 91 CD2 LEU A 6 -5.842 1.618 1.749 1.00 13.25 C ATOM 0 H LEU A 6 -1.482 3.945 1.750 1.00 53.22 H new ATOM 0 HA LEU A 6 -1.725 1.241 0.635 1.00 5.34 H new ATOM 0 HB2 LEU A 6 -3.162 2.229 2.492 1.00 32.24 H new ATOM 0 HB3 LEU A 6 -3.824 3.340 1.309 1.00 32.24 H new ATOM 0 HG LEU A 6 -4.652 1.351 -0.017 1.00 25.11 H new ATOM 0 HD11 LEU A 6 -4.808 -0.849 1.106 1.00 51.12 H new ATOM 0 HD12 LEU A 6 -3.121 -0.365 0.809 1.00 51.12 H new ATOM 0 HD13 LEU A 6 -3.812 -0.228 2.444 1.00 51.12 H new ATOM 0 HD21 LEU A 6 -6.583 0.869 1.469 1.00 13.25 H new ATOM 0 HD22 LEU A 6 -5.709 1.611 2.831 1.00 13.25 H new ATOM 0 HD23 LEU A 6 -6.184 2.603 1.432 1.00 13.25 H new ATOM 103 N VAL A 7 -1.578 2.032 -1.768 1.00 23.13 N ATOM 104 CA VAL A 7 -1.575 2.386 -3.194 1.00 35.15 C ATOM 105 C VAL A 7 -2.757 1.690 -3.896 1.00 41.04 C ATOM 106 O VAL A 7 -2.733 0.485 -4.158 1.00 51.11 O ATOM 107 CB VAL A 7 -0.213 1.974 -3.887 1.00 10.11 C ATOM 108 CG1 VAL A 7 -0.195 2.347 -5.392 1.00 42.03 C ATOM 109 CG2 VAL A 7 0.996 2.587 -3.142 1.00 44.13 C ATOM 0 H VAL A 7 -1.011 1.213 -1.549 1.00 23.13 H new ATOM 0 HA VAL A 7 -1.679 3.468 -3.282 1.00 35.15 H new ATOM 0 HB VAL A 7 -0.132 0.889 -3.825 1.00 10.11 H new ATOM 0 HG11 VAL A 7 0.757 2.047 -5.830 1.00 42.03 H new ATOM 0 HG12 VAL A 7 -1.008 1.832 -5.904 1.00 42.03 H new ATOM 0 HG13 VAL A 7 -0.322 3.424 -5.501 1.00 42.03 H new ATOM 0 HG21 VAL A 7 1.919 2.288 -3.639 1.00 44.13 H new ATOM 0 HG22 VAL A 7 0.915 3.674 -3.150 1.00 44.13 H new ATOM 0 HG23 VAL A 7 1.007 2.231 -2.112 1.00 44.13 H new ATOM 119 N ILE A 8 -3.786 2.491 -4.161 1.00 31.21 N ATOM 120 CA ILE A 8 -5.024 2.093 -4.841 1.00 61.40 C ATOM 121 C ILE A 8 -5.033 2.708 -6.252 1.00 45.33 C ATOM 122 O ILE A 8 -4.480 3.796 -6.477 1.00 32.40 O ATOM 123 CB ILE A 8 -6.295 2.600 -4.040 1.00 35.54 C ATOM 124 CG1 ILE A 8 -6.246 2.122 -2.559 1.00 73.12 C ATOM 125 CG2 ILE A 8 -7.631 2.173 -4.714 1.00 13.43 C ATOM 126 CD1 ILE A 8 -7.381 2.628 -1.694 1.00 41.14 C ATOM 0 H ILE A 8 -3.784 3.477 -3.898 1.00 31.21 H new ATOM 0 HA ILE A 8 -5.064 1.005 -4.898 1.00 61.40 H new ATOM 0 HB ILE A 8 -6.264 3.689 -4.056 1.00 35.54 H new ATOM 0 HG12 ILE A 8 -6.253 1.032 -2.543 1.00 73.12 H new ATOM 0 HG13 ILE A 8 -5.301 2.442 -2.119 1.00 73.12 H new ATOM 0 HG21 ILE A 8 -8.470 2.545 -4.126 1.00 13.43 H new ATOM 0 HG22 ILE A 8 -7.680 2.589 -5.720 1.00 13.43 H new ATOM 0 HG23 ILE A 8 -7.680 1.085 -4.768 1.00 13.43 H new ATOM 0 HD11 ILE A 8 -7.265 2.245 -0.680 1.00 41.14 H new ATOM 0 HD12 ILE A 8 -7.365 3.718 -1.674 1.00 41.14 H new ATOM 0 HD13 ILE A 8 -8.331 2.286 -2.104 1.00 41.14 H new ATOM 138 N SER A 9 -5.645 1.993 -7.190 1.00 11.41 N ATOM 139 CA SER A 9 -5.942 2.482 -8.535 1.00 61.01 C ATOM 140 C SER A 9 -7.265 1.855 -8.971 1.00 43.51 C ATOM 141 O SER A 9 -7.731 0.877 -8.373 1.00 31.11 O ATOM 142 CB SER A 9 -4.797 2.108 -9.508 1.00 43.20 C ATOM 143 OG SER A 9 -4.997 2.625 -10.810 1.00 3.14 O ATOM 0 H SER A 9 -5.956 1.034 -7.034 1.00 11.41 H new ATOM 0 HA SER A 9 -6.026 3.569 -8.542 1.00 61.01 H new ATOM 0 HB2 SER A 9 -3.853 2.484 -9.113 1.00 43.20 H new ATOM 0 HB3 SER A 9 -4.711 1.023 -9.562 1.00 43.20 H new ATOM 0 HG SER A 9 -4.129 2.799 -11.230 1.00 3.14 H new ATOM 149 N THR A 10 -7.878 2.433 -10.002 1.00 32.11 N ATOM 150 CA THR A 10 -9.076 1.859 -10.647 1.00 41.23 C ATOM 151 C THR A 10 -8.654 0.742 -11.652 1.00 53.34 C ATOM 152 O THR A 10 -9.492 0.047 -12.227 1.00 24.11 O ATOM 153 CB THR A 10 -9.886 3.002 -11.352 1.00 24.22 C ATOM 154 OG1 THR A 10 -9.996 4.124 -10.454 1.00 62.44 O ATOM 155 CG2 THR A 10 -11.307 2.570 -11.780 1.00 75.33 C ATOM 0 H THR A 10 -7.566 3.310 -10.419 1.00 32.11 H new ATOM 0 HA THR A 10 -9.721 1.400 -9.898 1.00 41.23 H new ATOM 0 HB THR A 10 -9.340 3.264 -12.258 1.00 24.22 H new ATOM 0 HG1 THR A 10 -10.500 4.843 -10.889 1.00 62.44 H new ATOM 0 HG21 THR A 10 -11.812 3.407 -12.261 1.00 75.33 H new ATOM 0 HG22 THR A 10 -11.239 1.737 -12.480 1.00 75.33 H new ATOM 0 HG23 THR A 10 -11.873 2.261 -10.902 1.00 75.33 H new ATOM 163 N ASP A 11 -7.325 0.568 -11.816 1.00 2.34 N ATOM 164 CA ASP A 11 -6.723 -0.424 -12.720 1.00 51.15 C ATOM 165 C ASP A 11 -5.588 -1.163 -11.986 1.00 30.04 C ATOM 166 O ASP A 11 -4.523 -0.579 -11.729 1.00 53.42 O ATOM 167 CB ASP A 11 -6.167 0.256 -14.000 1.00 35.13 C ATOM 168 CG ASP A 11 -7.243 0.884 -14.904 1.00 34.41 C ATOM 169 OD1 ASP A 11 -7.727 1.994 -14.593 1.00 24.23 O ATOM 170 OD2 ASP A 11 -7.597 0.284 -15.944 1.00 14.21 O ATOM 0 H ASP A 11 -6.633 1.124 -11.314 1.00 2.34 H new ATOM 0 HA ASP A 11 -7.493 -1.135 -13.019 1.00 51.15 H new ATOM 0 HB2 ASP A 11 -5.459 1.031 -13.707 1.00 35.13 H new ATOM 0 HB3 ASP A 11 -5.611 -0.483 -14.577 1.00 35.13 H new ATOM 175 N THR A 12 -5.831 -2.453 -11.668 1.00 24.12 N ATOM 176 CA THR A 12 -4.808 -3.388 -11.137 1.00 14.13 C ATOM 177 C THR A 12 -3.638 -3.541 -12.142 1.00 23.21 C ATOM 178 O THR A 12 -2.535 -3.936 -11.776 1.00 35.22 O ATOM 179 CB THR A 12 -5.447 -4.795 -10.830 1.00 41.44 C ATOM 180 OG1 THR A 12 -6.621 -4.622 -10.020 1.00 33.01 O ATOM 181 CG2 THR A 12 -4.476 -5.754 -10.098 1.00 54.11 C ATOM 0 H THR A 12 -6.751 -2.881 -11.773 1.00 24.12 H new ATOM 0 HA THR A 12 -4.418 -2.973 -10.207 1.00 14.13 H new ATOM 0 HB THR A 12 -5.693 -5.245 -11.792 1.00 41.44 H new ATOM 0 HG1 THR A 12 -7.188 -5.418 -10.092 1.00 33.01 H new ATOM 0 HG21 THR A 12 -4.974 -6.706 -9.915 1.00 54.11 H new ATOM 0 HG22 THR A 12 -3.593 -5.919 -10.716 1.00 54.11 H new ATOM 0 HG23 THR A 12 -4.176 -5.313 -9.148 1.00 54.11 H new ATOM 189 N ASN A 13 -3.932 -3.208 -13.415 1.00 2.14 N ATOM 190 CA ASN A 13 -2.954 -3.139 -14.514 1.00 31.24 C ATOM 191 C ASN A 13 -1.863 -2.095 -14.211 1.00 50.30 C ATOM 192 O ASN A 13 -0.668 -2.368 -14.374 1.00 45.50 O ATOM 193 CB ASN A 13 -3.669 -2.773 -15.851 1.00 64.25 C ATOM 194 CG ASN A 13 -4.801 -3.733 -16.252 1.00 63.13 C ATOM 195 OD1 ASN A 13 -5.494 -4.308 -15.407 1.00 4.44 O ATOM 196 ND2 ASN A 13 -5.001 -3.909 -17.550 1.00 41.35 N ATOM 0 H ASN A 13 -4.879 -2.974 -13.712 1.00 2.14 H new ATOM 0 HA ASN A 13 -2.486 -4.118 -14.611 1.00 31.24 H new ATOM 0 HB2 ASN A 13 -4.077 -1.766 -15.766 1.00 64.25 H new ATOM 0 HB3 ASN A 13 -2.928 -2.751 -16.650 1.00 64.25 H new ATOM 0 HD21 ASN A 13 -5.742 -4.532 -17.872 1.00 41.35 H new ATOM 0 HD22 ASN A 13 -4.414 -3.422 -18.227 1.00 41.35 H new ATOM 203 N ILE A 14 -2.293 -0.905 -13.730 1.00 62.31 N ATOM 204 CA ILE A 14 -1.375 0.205 -13.398 1.00 11.12 C ATOM 205 C ILE A 14 -0.600 -0.143 -12.106 1.00 53.21 C ATOM 206 O ILE A 14 0.612 0.070 -12.022 1.00 25.24 O ATOM 207 CB ILE A 14 -2.152 1.580 -13.237 1.00 71.12 C ATOM 208 CG1 ILE A 14 -3.005 1.913 -14.509 1.00 11.32 C ATOM 209 CG2 ILE A 14 -1.188 2.745 -12.918 1.00 75.04 C ATOM 210 CD1 ILE A 14 -2.227 2.129 -15.803 1.00 43.22 C ATOM 0 H ILE A 14 -3.276 -0.690 -13.563 1.00 62.31 H new ATOM 0 HA ILE A 14 -0.671 0.332 -14.221 1.00 11.12 H new ATOM 0 HB ILE A 14 -2.832 1.460 -12.393 1.00 71.12 H new ATOM 0 HG12 ILE A 14 -3.715 1.101 -14.667 1.00 11.32 H new ATOM 0 HG13 ILE A 14 -3.588 2.811 -14.305 1.00 11.32 H new ATOM 0 HG21 ILE A 14 -1.756 3.670 -12.815 1.00 75.04 H new ATOM 0 HG22 ILE A 14 -0.661 2.537 -11.987 1.00 75.04 H new ATOM 0 HG23 ILE A 14 -0.466 2.851 -13.727 1.00 75.04 H new ATOM 0 HD11 ILE A 14 -2.922 2.352 -16.612 1.00 43.22 H new ATOM 0 HD12 ILE A 14 -1.536 2.963 -15.677 1.00 43.22 H new ATOM 0 HD13 ILE A 14 -1.666 1.226 -16.045 1.00 43.22 H new ATOM 222 N ILE A 15 -1.326 -0.760 -11.140 1.00 73.42 N ATOM 223 CA ILE A 15 -0.757 -1.225 -9.853 1.00 71.21 C ATOM 224 C ILE A 15 0.318 -2.307 -10.090 1.00 52.24 C ATOM 225 O ILE A 15 1.343 -2.302 -9.422 1.00 51.24 O ATOM 226 CB ILE A 15 -1.886 -1.773 -8.886 1.00 12.44 C ATOM 227 CG1 ILE A 15 -2.858 -0.616 -8.509 1.00 33.13 C ATOM 228 CG2 ILE A 15 -1.310 -2.455 -7.614 1.00 52.25 C ATOM 229 CD1 ILE A 15 -3.991 -0.997 -7.575 1.00 2.34 C ATOM 0 H ILE A 15 -2.324 -0.949 -11.233 1.00 73.42 H new ATOM 0 HA ILE A 15 -0.289 -0.367 -9.371 1.00 71.21 H new ATOM 0 HB ILE A 15 -2.433 -2.548 -9.423 1.00 12.44 H new ATOM 0 HG12 ILE A 15 -2.281 0.184 -8.045 1.00 33.13 H new ATOM 0 HG13 ILE A 15 -3.286 -0.210 -9.426 1.00 33.13 H new ATOM 0 HG21 ILE A 15 -2.129 -2.811 -6.989 1.00 52.25 H new ATOM 0 HG22 ILE A 15 -0.683 -3.298 -7.905 1.00 52.25 H new ATOM 0 HG23 ILE A 15 -0.713 -1.735 -7.054 1.00 52.25 H new ATOM 0 HD11 ILE A 15 -4.608 -0.121 -7.376 1.00 2.34 H new ATOM 0 HD12 ILE A 15 -4.600 -1.772 -8.039 1.00 2.34 H new ATOM 0 HD13 ILE A 15 -3.580 -1.372 -6.638 1.00 2.34 H new ATOM 241 N SER A 16 0.075 -3.184 -11.087 1.00 4.52 N ATOM 242 CA SER A 16 0.977 -4.293 -11.451 1.00 32.20 C ATOM 243 C SER A 16 2.327 -3.763 -11.955 1.00 1.32 C ATOM 244 O SER A 16 3.379 -4.222 -11.527 1.00 74.53 O ATOM 245 CB SER A 16 0.315 -5.184 -12.540 1.00 54.12 C ATOM 246 OG SER A 16 1.173 -6.232 -12.965 1.00 15.31 O ATOM 0 H SER A 16 -0.763 -3.140 -11.667 1.00 4.52 H new ATOM 0 HA SER A 16 1.157 -4.891 -10.558 1.00 32.20 H new ATOM 0 HB2 SER A 16 -0.609 -5.609 -12.148 1.00 54.12 H new ATOM 0 HB3 SER A 16 0.044 -4.567 -13.397 1.00 54.12 H new ATOM 0 HG SER A 16 0.720 -6.769 -13.648 1.00 15.31 H new ATOM 252 N SER A 17 2.258 -2.774 -12.855 1.00 51.12 N ATOM 253 CA SER A 17 3.442 -2.151 -13.472 1.00 60.42 C ATOM 254 C SER A 17 4.326 -1.431 -12.426 1.00 72.11 C ATOM 255 O SER A 17 5.550 -1.604 -12.393 1.00 54.12 O ATOM 256 CB SER A 17 2.960 -1.157 -14.541 1.00 5.25 C ATOM 257 OG SER A 17 2.020 -1.762 -15.415 1.00 2.13 O ATOM 0 H SER A 17 1.375 -2.379 -13.179 1.00 51.12 H new ATOM 0 HA SER A 17 4.058 -2.929 -13.923 1.00 60.42 H new ATOM 0 HB2 SER A 17 2.507 -0.291 -14.059 1.00 5.25 H new ATOM 0 HB3 SER A 17 3.813 -0.793 -15.114 1.00 5.25 H new ATOM 0 HG SER A 17 1.135 -1.761 -14.994 1.00 2.13 H new ATOM 263 N VAL A 18 3.665 -0.637 -11.567 1.00 71.44 N ATOM 264 CA VAL A 18 4.325 0.122 -10.486 1.00 75.32 C ATOM 265 C VAL A 18 4.867 -0.831 -9.394 1.00 24.53 C ATOM 266 O VAL A 18 5.896 -0.555 -8.777 1.00 62.21 O ATOM 267 CB VAL A 18 3.336 1.177 -9.871 1.00 42.30 C ATOM 268 CG1 VAL A 18 3.991 1.982 -8.727 1.00 40.15 C ATOM 269 CG2 VAL A 18 2.802 2.118 -10.973 1.00 40.32 C ATOM 0 H VAL A 18 2.655 -0.502 -11.601 1.00 71.44 H new ATOM 0 HA VAL A 18 5.173 0.658 -10.912 1.00 75.32 H new ATOM 0 HB VAL A 18 2.497 0.632 -9.439 1.00 42.30 H new ATOM 0 HG11 VAL A 18 3.273 2.700 -8.330 1.00 40.15 H new ATOM 0 HG12 VAL A 18 4.300 1.301 -7.934 1.00 40.15 H new ATOM 0 HG13 VAL A 18 4.863 2.514 -9.109 1.00 40.15 H new ATOM 0 HG21 VAL A 18 2.118 2.843 -10.532 1.00 40.32 H new ATOM 0 HG22 VAL A 18 3.636 2.642 -11.439 1.00 40.32 H new ATOM 0 HG23 VAL A 18 2.274 1.533 -11.726 1.00 40.32 H new ATOM 279 N GLN A 19 4.165 -1.961 -9.207 1.00 2.34 N ATOM 280 CA GLN A 19 4.573 -3.058 -8.304 1.00 31.44 C ATOM 281 C GLN A 19 5.898 -3.674 -8.785 1.00 71.22 C ATOM 282 O GLN A 19 6.808 -3.892 -7.991 1.00 41.22 O ATOM 283 CB GLN A 19 3.460 -4.135 -8.284 1.00 23.20 C ATOM 284 CG GLN A 19 3.740 -5.400 -7.458 1.00 13.13 C ATOM 285 CD GLN A 19 2.683 -6.505 -7.649 1.00 32.20 C ATOM 286 OE1 GLN A 19 2.997 -7.692 -7.562 1.00 52.32 O ATOM 287 NE2 GLN A 19 1.421 -6.136 -7.875 1.00 0.14 N ATOM 0 H GLN A 19 3.283 -2.144 -9.686 1.00 2.34 H new ATOM 0 HA GLN A 19 4.720 -2.667 -7.297 1.00 31.44 H new ATOM 0 HB2 GLN A 19 2.548 -3.675 -7.904 1.00 23.20 H new ATOM 0 HB3 GLN A 19 3.260 -4.437 -9.312 1.00 23.20 H new ATOM 0 HG2 GLN A 19 4.719 -5.794 -7.731 1.00 13.13 H new ATOM 0 HG3 GLN A 19 3.787 -5.132 -6.403 1.00 13.13 H new ATOM 0 HE21 GLN A 19 1.183 -5.146 -7.943 1.00 0.14 H new ATOM 0 HE22 GLN A 19 0.694 -6.843 -7.979 1.00 0.14 H new ATOM 296 N GLU A 20 5.982 -3.921 -10.108 1.00 24.21 N ATOM 297 CA GLU A 20 7.181 -4.486 -10.760 1.00 21.41 C ATOM 298 C GLU A 20 8.376 -3.520 -10.654 1.00 42.12 C ATOM 299 O GLU A 20 9.501 -3.957 -10.440 1.00 1.43 O ATOM 300 CB GLU A 20 6.862 -4.836 -12.245 1.00 5.23 C ATOM 301 CG GLU A 20 5.870 -6.011 -12.411 1.00 4.12 C ATOM 302 CD GLU A 20 5.335 -6.177 -13.847 1.00 75.23 C ATOM 303 OE1 GLU A 20 4.333 -5.515 -14.198 1.00 54.10 O ATOM 304 OE2 GLU A 20 5.915 -6.953 -14.640 1.00 72.50 O ATOM 0 H GLU A 20 5.217 -3.734 -10.757 1.00 24.21 H new ATOM 0 HA GLU A 20 7.462 -5.403 -10.243 1.00 21.41 H new ATOM 0 HB2 GLU A 20 6.451 -3.954 -12.736 1.00 5.23 H new ATOM 0 HB3 GLU A 20 7.792 -5.082 -12.758 1.00 5.23 H new ATOM 0 HG2 GLU A 20 6.362 -6.935 -12.108 1.00 4.12 H new ATOM 0 HG3 GLU A 20 5.028 -5.862 -11.735 1.00 4.12 H new ATOM 311 N ARG A 21 8.100 -2.199 -10.762 1.00 74.45 N ATOM 312 CA ARG A 21 9.120 -1.135 -10.593 1.00 40.42 C ATOM 313 C ARG A 21 9.641 -1.110 -9.143 1.00 32.54 C ATOM 314 O ARG A 21 10.854 -1.070 -8.895 1.00 5.53 O ATOM 315 CB ARG A 21 8.522 0.260 -10.937 1.00 12.41 C ATOM 316 CG ARG A 21 8.147 0.470 -12.420 1.00 35.24 C ATOM 317 CD ARG A 21 7.497 1.851 -12.661 1.00 63.31 C ATOM 318 NE ARG A 21 7.262 2.128 -14.088 1.00 62.32 N ATOM 319 CZ ARG A 21 6.651 3.224 -14.576 1.00 4.21 C ATOM 320 NH1 ARG A 21 6.182 4.177 -13.766 1.00 4.52 N ATOM 321 NH2 ARG A 21 6.520 3.371 -15.888 1.00 3.02 N ATOM 0 H ARG A 21 7.167 -1.841 -10.968 1.00 74.45 H new ATOM 0 HA ARG A 21 9.943 -1.354 -11.273 1.00 40.42 H new ATOM 0 HB2 ARG A 21 7.631 0.415 -10.329 1.00 12.41 H new ATOM 0 HB3 ARG A 21 9.242 1.026 -10.649 1.00 12.41 H new ATOM 0 HG2 ARG A 21 9.041 0.377 -13.037 1.00 35.24 H new ATOM 0 HG3 ARG A 21 7.459 -0.315 -12.735 1.00 35.24 H new ATOM 0 HD2 ARG A 21 6.549 1.900 -12.125 1.00 63.31 H new ATOM 0 HD3 ARG A 21 8.139 2.628 -12.245 1.00 63.31 H new ATOM 0 HE ARG A 21 7.588 1.434 -14.761 1.00 62.32 H new ATOM 0 HH11 ARG A 21 6.283 4.083 -12.755 1.00 4.52 H new ATOM 0 HH12 ARG A 21 5.723 4.999 -14.158 1.00 4.52 H new ATOM 0 HH21 ARG A 21 6.881 2.656 -16.520 1.00 3.02 H new ATOM 0 HH22 ARG A 21 6.058 4.199 -16.265 1.00 3.02 H new ATOM 335 N ALA A 22 8.684 -1.154 -8.203 1.00 10.52 N ATOM 336 CA ALA A 22 8.931 -1.004 -6.769 1.00 44.31 C ATOM 337 C ALA A 22 9.699 -2.200 -6.185 1.00 2.21 C ATOM 338 O ALA A 22 10.571 -2.027 -5.340 1.00 51.24 O ATOM 339 CB ALA A 22 7.592 -0.803 -6.043 1.00 62.42 C ATOM 0 H ALA A 22 7.699 -1.298 -8.428 1.00 10.52 H new ATOM 0 HA ALA A 22 9.562 -0.128 -6.620 1.00 44.31 H new ATOM 0 HB1 ALA A 22 7.771 -0.691 -4.974 1.00 62.42 H new ATOM 0 HB2 ALA A 22 7.102 0.093 -6.425 1.00 62.42 H new ATOM 0 HB3 ALA A 22 6.952 -1.668 -6.215 1.00 62.42 H new ATOM 345 N LYS A 23 9.350 -3.411 -6.643 1.00 10.02 N ATOM 346 CA LYS A 23 10.021 -4.654 -6.225 1.00 2.52 C ATOM 347 C LYS A 23 11.401 -4.815 -6.894 1.00 11.31 C ATOM 348 O LYS A 23 12.308 -5.405 -6.300 1.00 11.12 O ATOM 349 CB LYS A 23 9.117 -5.889 -6.510 1.00 31.20 C ATOM 350 CG LYS A 23 7.789 -5.894 -5.704 1.00 74.40 C ATOM 351 CD LYS A 23 6.909 -7.145 -5.972 1.00 24.14 C ATOM 352 CE LYS A 23 7.534 -8.451 -5.439 1.00 24.10 C ATOM 353 NZ LYS A 23 6.726 -9.650 -5.807 1.00 60.31 N ATOM 0 H LYS A 23 8.595 -3.558 -7.313 1.00 10.02 H new ATOM 0 HA LYS A 23 10.190 -4.590 -5.150 1.00 2.52 H new ATOM 0 HB2 LYS A 23 8.885 -5.920 -7.575 1.00 31.20 H new ATOM 0 HB3 LYS A 23 9.675 -6.797 -6.279 1.00 31.20 H new ATOM 0 HG2 LYS A 23 8.019 -5.842 -4.640 1.00 74.40 H new ATOM 0 HG3 LYS A 23 7.219 -4.998 -5.952 1.00 74.40 H new ATOM 0 HD2 LYS A 23 5.933 -7.001 -5.509 1.00 24.14 H new ATOM 0 HD3 LYS A 23 6.742 -7.241 -7.045 1.00 24.14 H new ATOM 0 HE2 LYS A 23 8.543 -8.558 -5.837 1.00 24.10 H new ATOM 0 HE3 LYS A 23 7.623 -8.393 -4.354 1.00 24.10 H new ATOM 0 HZ1 LYS A 23 7.182 -10.505 -5.429 1.00 60.31 H new ATOM 0 HZ2 LYS A 23 5.770 -9.561 -5.406 1.00 60.31 H new ATOM 0 HZ3 LYS A 23 6.662 -9.721 -6.843 1.00 60.31 H new ATOM 367 N HIS A 24 11.548 -4.294 -8.133 1.00 55.23 N ATOM 368 CA HIS A 24 12.821 -4.346 -8.895 1.00 73.52 C ATOM 369 C HIS A 24 13.911 -3.487 -8.220 1.00 5.23 C ATOM 370 O HIS A 24 15.087 -3.876 -8.173 1.00 31.00 O ATOM 371 CB HIS A 24 12.571 -3.863 -10.355 1.00 63.51 C ATOM 372 CG HIS A 24 13.770 -3.881 -11.277 1.00 74.30 C ATOM 373 ND1 HIS A 24 14.654 -2.907 -11.610 1.00 42.21 N flip ATOM 374 CD2 HIS A 24 14.148 -4.991 -12.005 1.00 52.35 C flip ATOM 375 CE1 HIS A 24 15.533 -3.442 -12.514 1.00 3.23 C flip ATOM 376 NE2 HIS A 24 15.208 -4.698 -12.735 1.00 30.34 N flip ATOM 0 H HIS A 24 10.792 -3.827 -8.633 1.00 55.23 H new ATOM 0 HA HIS A 24 13.177 -5.376 -8.911 1.00 73.52 H new ATOM 0 HB2 HIS A 24 11.792 -4.486 -10.794 1.00 63.51 H new ATOM 0 HB3 HIS A 24 12.182 -2.845 -10.318 1.00 63.51 H new ATOM 0 HD1 HIS A 24 14.662 -1.952 -11.253 1.00 42.21 H new ATOM 0 HD2 HIS A 24 13.653 -5.951 -11.981 1.00 52.35 H new ATOM 0 HE1 HIS A 24 16.359 -2.918 -12.971 1.00 3.23 H new ATOM 385 N ASN A 25 13.507 -2.314 -7.699 1.00 24.13 N ATOM 386 CA ASN A 25 14.444 -1.323 -7.121 1.00 63.43 C ATOM 387 C ASN A 25 14.509 -1.428 -5.581 1.00 34.41 C ATOM 388 O ASN A 25 15.592 -1.591 -5.005 1.00 13.11 O ATOM 389 CB ASN A 25 14.028 0.119 -7.546 1.00 43.14 C ATOM 390 CG ASN A 25 14.083 0.359 -9.063 1.00 71.33 C ATOM 391 OD1 ASN A 25 14.871 -0.254 -9.782 1.00 52.11 O ATOM 392 ND2 ASN A 25 13.261 1.266 -9.556 1.00 11.01 N ATOM 0 H ASN A 25 12.530 -2.024 -7.665 1.00 24.13 H new ATOM 0 HA ASN A 25 15.439 -1.541 -7.509 1.00 63.43 H new ATOM 0 HB2 ASN A 25 13.015 0.314 -7.193 1.00 43.14 H new ATOM 0 HB3 ASN A 25 14.682 0.837 -7.050 1.00 43.14 H new ATOM 0 HD21 ASN A 25 13.269 1.473 -10.555 1.00 11.01 H new ATOM 0 HD22 ASN A 25 12.617 1.760 -8.938 1.00 11.01 H new ATOM 399 N TYR A 26 13.341 -1.336 -4.929 1.00 31.15 N ATOM 400 CA TYR A 26 13.233 -1.192 -3.453 1.00 11.10 C ATOM 401 C TYR A 26 12.927 -2.562 -2.795 1.00 22.11 C ATOM 402 O TYR A 26 12.264 -3.407 -3.412 1.00 21.23 O ATOM 403 CB TYR A 26 12.135 -0.144 -3.101 1.00 52.43 C ATOM 404 CG TYR A 26 12.155 1.093 -4.005 1.00 24.51 C ATOM 405 CD1 TYR A 26 13.114 2.097 -3.852 1.00 63.31 C ATOM 406 CD2 TYR A 26 11.248 1.221 -5.059 1.00 3.12 C ATOM 407 CE1 TYR A 26 13.156 3.174 -4.714 1.00 4.22 C ATOM 408 CE2 TYR A 26 11.280 2.300 -5.907 1.00 44.55 C ATOM 409 CZ TYR A 26 12.243 3.265 -5.744 1.00 52.41 C ATOM 410 OH TYR A 26 12.304 4.324 -6.623 1.00 15.14 O ATOM 0 H TYR A 26 12.438 -1.358 -5.403 1.00 31.15 H new ATOM 0 HA TYR A 26 14.186 -0.838 -3.060 1.00 11.10 H new ATOM 0 HB2 TYR A 26 11.156 -0.619 -3.170 1.00 52.43 H new ATOM 0 HB3 TYR A 26 12.264 0.171 -2.065 1.00 52.43 H new ATOM 0 HD1 TYR A 26 13.832 2.030 -3.048 1.00 63.31 H new ATOM 0 HD2 TYR A 26 10.504 0.453 -5.211 1.00 3.12 H new ATOM 0 HE1 TYR A 26 13.902 3.944 -4.582 1.00 4.22 H new ATOM 0 HE2 TYR A 26 10.551 2.389 -6.699 1.00 44.55 H new ATOM 0 HH TYR A 26 12.285 3.987 -7.543 1.00 15.14 H new ATOM 420 N PRO A 27 13.406 -2.812 -1.526 1.00 22.14 N ATOM 421 CA PRO A 27 13.283 -4.132 -0.854 1.00 34.45 C ATOM 422 C PRO A 27 11.832 -4.493 -0.458 1.00 40.14 C ATOM 423 O PRO A 27 10.971 -3.609 -0.305 1.00 0.41 O ATOM 424 CB PRO A 27 14.191 -3.979 0.413 1.00 54.33 C ATOM 425 CG PRO A 27 15.000 -2.736 0.176 1.00 31.24 C ATOM 426 CD PRO A 27 14.105 -1.842 -0.641 1.00 55.43 C ATOM 0 HA PRO A 27 13.581 -4.945 -1.516 1.00 34.45 H new ATOM 0 HB2 PRO A 27 13.590 -3.890 1.318 1.00 54.33 H new ATOM 0 HB3 PRO A 27 14.835 -4.849 0.542 1.00 54.33 H new ATOM 0 HG2 PRO A 27 15.280 -2.262 1.116 1.00 31.24 H new ATOM 0 HG3 PRO A 27 15.925 -2.962 -0.355 1.00 31.24 H new ATOM 0 HD2 PRO A 27 13.406 -1.286 -0.016 1.00 55.43 H new ATOM 0 HD3 PRO A 27 14.675 -1.109 -1.212 1.00 55.43 H new ATOM 434 N GLY A 28 11.594 -5.810 -0.279 1.00 32.31 N ATOM 435 CA GLY A 28 10.315 -6.334 0.219 1.00 21.23 C ATOM 436 C GLY A 28 10.036 -5.951 1.671 1.00 23.55 C ATOM 437 O GLY A 28 8.922 -6.144 2.159 1.00 62.11 O ATOM 0 H GLY A 28 12.285 -6.534 -0.477 1.00 32.31 H new ATOM 0 HA2 GLY A 28 9.507 -5.962 -0.411 1.00 21.23 H new ATOM 0 HA3 GLY A 28 10.314 -7.420 0.129 1.00 21.23 H new ATOM 441 N ARG A 29 11.073 -5.434 2.356 1.00 13.51 N ATOM 442 CA ARG A 29 10.968 -4.866 3.713 1.00 22.34 C ATOM 443 C ARG A 29 10.058 -3.612 3.728 1.00 42.14 C ATOM 444 O ARG A 29 9.511 -3.254 4.771 1.00 21.35 O ATOM 445 CB ARG A 29 12.391 -4.516 4.240 1.00 21.12 C ATOM 446 CG ARG A 29 13.351 -5.729 4.315 1.00 65.23 C ATOM 447 CD ARG A 29 14.819 -5.333 4.568 1.00 21.40 C ATOM 448 NE ARG A 29 15.071 -4.858 5.947 1.00 22.32 N ATOM 449 CZ ARG A 29 16.102 -5.251 6.730 1.00 64.43 C ATOM 450 NH1 ARG A 29 16.993 -6.146 6.298 1.00 63.12 N ATOM 451 NH2 ARG A 29 16.238 -4.734 7.948 1.00 73.33 N ATOM 0 H ARG A 29 12.020 -5.399 1.978 1.00 13.51 H new ATOM 0 HA ARG A 29 10.513 -5.609 4.368 1.00 22.34 H new ATOM 0 HB2 ARG A 29 12.831 -3.757 3.592 1.00 21.12 H new ATOM 0 HB3 ARG A 29 12.301 -4.075 5.233 1.00 21.12 H new ATOM 0 HG2 ARG A 29 13.020 -6.396 5.111 1.00 65.23 H new ATOM 0 HG3 ARG A 29 13.289 -6.290 3.383 1.00 65.23 H new ATOM 0 HD2 ARG A 29 15.459 -6.191 4.365 1.00 21.40 H new ATOM 0 HD3 ARG A 29 15.103 -4.550 3.865 1.00 21.40 H new ATOM 0 HE ARG A 29 14.416 -4.181 6.338 1.00 22.32 H new ATOM 0 HH11 ARG A 29 16.903 -6.545 5.364 1.00 63.12 H new ATOM 0 HH12 ARG A 29 17.764 -6.431 6.902 1.00 63.12 H new ATOM 0 HH21 ARG A 29 15.567 -4.045 8.287 1.00 73.33 H new ATOM 0 HH22 ARG A 29 17.013 -5.027 8.543 1.00 73.33 H new ATOM 465 N TYR A 30 9.915 -2.944 2.563 1.00 11.15 N ATOM 466 CA TYR A 30 9.045 -1.755 2.411 1.00 21.23 C ATOM 467 C TYR A 30 7.844 -2.039 1.499 1.00 61.30 C ATOM 468 O TYR A 30 6.766 -1.507 1.727 1.00 62.01 O ATOM 469 CB TYR A 30 9.855 -0.553 1.873 1.00 32.25 C ATOM 470 CG TYR A 30 10.911 -0.041 2.860 1.00 73.31 C ATOM 471 CD1 TYR A 30 10.527 0.547 4.073 1.00 33.14 C ATOM 472 CD2 TYR A 30 12.279 -0.131 2.587 1.00 54.42 C ATOM 473 CE1 TYR A 30 11.463 1.012 4.973 1.00 74.24 C ATOM 474 CE2 TYR A 30 13.215 0.333 3.488 1.00 23.44 C ATOM 475 CZ TYR A 30 12.804 0.907 4.677 1.00 24.43 C ATOM 476 OH TYR A 30 13.743 1.363 5.576 1.00 1.23 O ATOM 0 H TYR A 30 10.396 -3.211 1.704 1.00 11.15 H new ATOM 0 HA TYR A 30 8.658 -1.507 3.399 1.00 21.23 H new ATOM 0 HB2 TYR A 30 10.346 -0.842 0.944 1.00 32.25 H new ATOM 0 HB3 TYR A 30 9.169 0.259 1.632 1.00 32.25 H new ATOM 0 HD1 TYR A 30 9.477 0.638 4.308 1.00 33.14 H new ATOM 0 HD2 TYR A 30 12.608 -0.570 1.657 1.00 54.42 H new ATOM 0 HE1 TYR A 30 11.146 1.456 5.905 1.00 74.24 H new ATOM 0 HE2 TYR A 30 14.268 0.248 3.265 1.00 23.44 H new ATOM 0 HH TYR A 30 14.642 1.213 5.215 1.00 1.23 H new ATOM 486 N ILE A 31 8.022 -2.883 0.468 1.00 43.15 N ATOM 487 CA ILE A 31 6.952 -3.156 -0.518 1.00 62.51 C ATOM 488 C ILE A 31 6.288 -4.503 -0.196 1.00 11.41 C ATOM 489 O ILE A 31 6.964 -5.519 0.003 1.00 63.51 O ATOM 490 CB ILE A 31 7.475 -3.134 -2.023 1.00 60.34 C ATOM 491 CG1 ILE A 31 7.793 -1.679 -2.511 1.00 22.21 C ATOM 492 CG2 ILE A 31 6.456 -3.792 -3.005 1.00 60.33 C ATOM 493 CD1 ILE A 31 8.935 -0.975 -1.811 1.00 42.54 C ATOM 0 H ILE A 31 8.891 -3.388 0.293 1.00 43.15 H new ATOM 0 HA ILE A 31 6.220 -2.353 -0.437 1.00 62.51 H new ATOM 0 HB ILE A 31 8.396 -3.717 -2.028 1.00 60.34 H new ATOM 0 HG12 ILE A 31 8.015 -1.716 -3.577 1.00 22.21 H new ATOM 0 HG13 ILE A 31 6.894 -1.074 -2.394 1.00 22.21 H new ATOM 0 HG21 ILE A 31 6.853 -3.755 -4.020 1.00 60.33 H new ATOM 0 HG22 ILE A 31 6.292 -4.830 -2.717 1.00 60.33 H new ATOM 0 HG23 ILE A 31 5.511 -3.251 -2.965 1.00 60.33 H new ATOM 0 HD11 ILE A 31 9.061 0.022 -2.233 1.00 42.54 H new ATOM 0 HD12 ILE A 31 8.715 -0.894 -0.747 1.00 42.54 H new ATOM 0 HD13 ILE A 31 9.853 -1.546 -1.949 1.00 42.54 H new ATOM 505 N ARG A 32 4.954 -4.466 -0.098 1.00 12.40 N ATOM 506 CA ARG A 32 4.083 -5.634 0.043 1.00 73.25 C ATOM 507 C ARG A 32 2.800 -5.379 -0.772 1.00 20.22 C ATOM 508 O ARG A 32 2.459 -4.234 -1.051 1.00 23.41 O ATOM 509 CB ARG A 32 3.758 -5.859 1.549 1.00 62.22 C ATOM 510 CG ARG A 32 2.745 -6.991 1.847 1.00 12.22 C ATOM 511 CD ARG A 32 3.189 -8.388 1.358 1.00 60.33 C ATOM 512 NE ARG A 32 2.149 -9.406 1.574 1.00 0.20 N ATOM 513 CZ ARG A 32 1.847 -9.971 2.749 1.00 20.53 C ATOM 514 NH1 ARG A 32 2.489 -9.641 3.867 1.00 12.11 N ATOM 515 NH2 ARG A 32 0.906 -10.883 2.802 1.00 31.14 N ATOM 0 H ARG A 32 4.434 -3.588 -0.116 1.00 12.40 H new ATOM 0 HA ARG A 32 4.573 -6.533 -0.332 1.00 73.25 H new ATOM 0 HB2 ARG A 32 4.687 -6.078 2.075 1.00 62.22 H new ATOM 0 HB3 ARG A 32 3.369 -4.928 1.962 1.00 62.22 H new ATOM 0 HG2 ARG A 32 2.572 -7.034 2.922 1.00 12.22 H new ATOM 0 HG3 ARG A 32 1.792 -6.742 1.380 1.00 12.22 H new ATOM 0 HD2 ARG A 32 3.433 -8.339 0.297 1.00 60.33 H new ATOM 0 HD3 ARG A 32 4.099 -8.683 1.881 1.00 60.33 H new ATOM 0 HE ARG A 32 1.613 -9.706 0.760 1.00 0.20 H new ATOM 0 HH11 ARG A 32 3.231 -8.942 3.841 1.00 12.11 H new ATOM 0 HH12 ARG A 32 2.239 -10.087 4.749 1.00 12.11 H new ATOM 0 HH21 ARG A 32 0.412 -11.156 1.952 1.00 31.14 H new ATOM 0 HH22 ARG A 32 0.668 -11.320 3.693 1.00 31.14 H new ATOM 529 N THR A 33 2.121 -6.453 -1.188 1.00 23.33 N ATOM 530 CA THR A 33 0.838 -6.379 -1.904 1.00 45.35 C ATOM 531 C THR A 33 -0.294 -6.992 -1.060 1.00 50.24 C ATOM 532 O THR A 33 -0.103 -8.033 -0.416 1.00 72.24 O ATOM 533 CB THR A 33 0.949 -7.115 -3.277 1.00 65.41 C ATOM 534 OG1 THR A 33 1.455 -8.446 -3.081 1.00 73.15 O ATOM 535 CG2 THR A 33 1.875 -6.370 -4.250 1.00 54.21 C ATOM 0 H THR A 33 2.447 -7.408 -1.037 1.00 23.33 H new ATOM 0 HA THR A 33 0.601 -5.330 -2.082 1.00 45.35 H new ATOM 0 HB THR A 33 -0.051 -7.149 -3.709 1.00 65.41 H new ATOM 0 HG1 THR A 33 1.520 -8.902 -3.946 1.00 73.15 H new ATOM 0 HG21 THR A 33 1.925 -6.914 -5.193 1.00 54.21 H new ATOM 0 HG22 THR A 33 1.484 -5.368 -4.429 1.00 54.21 H new ATOM 0 HG23 THR A 33 2.874 -6.298 -3.819 1.00 54.21 H new ATOM 543 N ALA A 34 -1.463 -6.324 -1.067 1.00 74.40 N ATOM 544 CA ALA A 34 -2.704 -6.834 -0.474 1.00 13.44 C ATOM 545 C ALA A 34 -3.687 -7.190 -1.597 1.00 64.23 C ATOM 546 O ALA A 34 -4.284 -6.303 -2.221 1.00 2.32 O ATOM 547 CB ALA A 34 -3.321 -5.814 0.502 1.00 5.01 C ATOM 0 H ALA A 34 -1.569 -5.403 -1.492 1.00 74.40 H new ATOM 0 HA ALA A 34 -2.479 -7.730 0.105 1.00 13.44 H new ATOM 0 HB1 ALA A 34 -4.239 -6.223 0.924 1.00 5.01 H new ATOM 0 HB2 ALA A 34 -2.614 -5.605 1.305 1.00 5.01 H new ATOM 0 HB3 ALA A 34 -3.547 -4.891 -0.031 1.00 5.01 H new ATOM 553 N THR A 35 -3.797 -8.495 -1.883 1.00 42.20 N ATOM 554 CA THR A 35 -4.767 -9.039 -2.852 1.00 3.45 C ATOM 555 C THR A 35 -5.947 -9.694 -2.106 1.00 44.41 C ATOM 556 O THR A 35 -6.998 -9.978 -2.699 1.00 60.04 O ATOM 557 CB THR A 35 -4.070 -10.058 -3.837 1.00 74.10 C ATOM 558 OG1 THR A 35 -5.004 -10.529 -4.814 1.00 74.33 O ATOM 559 CG2 THR A 35 -3.446 -11.259 -3.110 1.00 53.30 C ATOM 0 H THR A 35 -3.213 -9.209 -1.448 1.00 42.20 H new ATOM 0 HA THR A 35 -5.157 -8.220 -3.456 1.00 3.45 H new ATOM 0 HB THR A 35 -3.262 -9.511 -4.324 1.00 74.10 H new ATOM 0 HG1 THR A 35 -5.274 -9.786 -5.393 1.00 74.33 H new ATOM 0 HG21 THR A 35 -2.982 -11.924 -3.838 1.00 53.30 H new ATOM 0 HG22 THR A 35 -2.691 -10.907 -2.407 1.00 53.30 H new ATOM 0 HG23 THR A 35 -4.222 -11.799 -2.568 1.00 53.30 H new ATOM 567 N SER A 36 -5.762 -9.904 -0.785 1.00 64.22 N ATOM 568 CA SER A 36 -6.747 -10.554 0.095 1.00 1.13 C ATOM 569 C SER A 36 -6.647 -9.989 1.523 1.00 22.21 C ATOM 570 O SER A 36 -5.665 -9.305 1.874 1.00 23.34 O ATOM 571 CB SER A 36 -6.486 -12.084 0.111 1.00 61.25 C ATOM 572 OG SER A 36 -6.652 -12.649 -1.181 1.00 74.40 O ATOM 0 H SER A 36 -4.912 -9.622 -0.297 1.00 64.22 H new ATOM 0 HA SER A 36 -7.750 -10.357 -0.283 1.00 1.13 H new ATOM 0 HB2 SER A 36 -5.475 -12.279 0.468 1.00 61.25 H new ATOM 0 HB3 SER A 36 -7.170 -12.564 0.811 1.00 61.25 H new ATOM 0 HG SER A 36 -6.480 -13.613 -1.141 1.00 74.40 H new ATOM 578 N SER A 37 -7.662 -10.304 2.345 1.00 44.53 N ATOM 579 CA SER A 37 -7.676 -9.959 3.773 1.00 61.31 C ATOM 580 C SER A 37 -6.583 -10.738 4.534 1.00 74.12 C ATOM 581 O SER A 37 -6.084 -10.262 5.544 1.00 20.14 O ATOM 582 CB SER A 37 -9.074 -10.220 4.368 1.00 10.52 C ATOM 583 OG SER A 37 -9.466 -11.567 4.204 1.00 71.21 O ATOM 0 H SER A 37 -8.495 -10.805 2.036 1.00 44.53 H new ATOM 0 HA SER A 37 -7.455 -8.897 3.881 1.00 61.31 H new ATOM 0 HB2 SER A 37 -9.072 -9.968 5.428 1.00 10.52 H new ATOM 0 HB3 SER A 37 -9.802 -9.567 3.887 1.00 10.52 H new ATOM 0 HG SER A 37 -8.688 -12.105 3.949 1.00 71.21 H new ATOM 589 N GLN A 38 -6.197 -11.925 3.996 1.00 62.12 N ATOM 590 CA GLN A 38 -5.069 -12.740 4.520 1.00 44.50 C ATOM 591 C GLN A 38 -3.778 -11.901 4.546 1.00 71.03 C ATOM 592 O GLN A 38 -3.013 -11.951 5.520 1.00 33.14 O ATOM 593 CB GLN A 38 -4.839 -14.029 3.667 1.00 11.31 C ATOM 594 CG GLN A 38 -5.967 -15.087 3.725 1.00 13.12 C ATOM 595 CD GLN A 38 -7.246 -14.684 2.987 1.00 54.30 C ATOM 596 OE1 GLN A 38 -8.155 -14.026 3.676 1.00 54.35 O flip ATOM 597 NE2 GLN A 38 -7.406 -14.948 1.799 1.00 4.23 N flip ATOM 0 H GLN A 38 -6.658 -12.343 3.188 1.00 62.12 H new ATOM 0 HA GLN A 38 -5.330 -13.048 5.533 1.00 44.50 H new ATOM 0 HB2 GLN A 38 -4.698 -13.733 2.627 1.00 11.31 H new ATOM 0 HB3 GLN A 38 -3.911 -14.497 3.994 1.00 11.31 H new ATOM 0 HG2 GLN A 38 -5.596 -16.020 3.302 1.00 13.12 H new ATOM 0 HG3 GLN A 38 -6.211 -15.285 4.769 1.00 13.12 H new ATOM 0 HE21 GLN A 38 -6.686 -15.459 1.289 1.00 4.23 H new ATOM 0 HE22 GLN A 38 -8.259 -14.656 1.322 1.00 4.23 H new ATOM 606 N ASP A 39 -3.556 -11.144 3.445 1.00 44.44 N ATOM 607 CA ASP A 39 -2.441 -10.184 3.337 1.00 62.13 C ATOM 608 C ASP A 39 -2.604 -9.060 4.358 1.00 73.14 C ATOM 609 O ASP A 39 -1.722 -8.852 5.177 1.00 52.11 O ATOM 610 CB ASP A 39 -2.363 -9.559 1.921 1.00 71.43 C ATOM 611 CG ASP A 39 -2.146 -10.591 0.820 1.00 34.00 C ATOM 612 OD1 ASP A 39 -0.985 -10.975 0.579 1.00 73.30 O ATOM 613 OD2 ASP A 39 -3.139 -11.044 0.214 1.00 74.12 O ATOM 0 H ASP A 39 -4.144 -11.184 2.613 1.00 44.44 H new ATOM 0 HA ASP A 39 -1.522 -10.737 3.532 1.00 62.13 H new ATOM 0 HB2 ASP A 39 -3.284 -9.012 1.721 1.00 71.43 H new ATOM 0 HB3 ASP A 39 -1.550 -8.834 1.895 1.00 71.43 H new ATOM 618 N ILE A 40 -3.786 -8.398 4.312 1.00 21.51 N ATOM 619 CA ILE A 40 -4.096 -7.181 5.101 1.00 73.55 C ATOM 620 C ILE A 40 -3.785 -7.388 6.599 1.00 43.21 C ATOM 621 O ILE A 40 -2.929 -6.687 7.158 1.00 51.24 O ATOM 622 CB ILE A 40 -5.610 -6.776 4.896 1.00 10.45 C ATOM 623 CG1 ILE A 40 -5.855 -6.345 3.411 1.00 73.25 C ATOM 624 CG2 ILE A 40 -6.064 -5.678 5.886 1.00 64.32 C ATOM 625 CD1 ILE A 40 -7.311 -6.107 3.042 1.00 71.53 C ATOM 0 H ILE A 40 -4.560 -8.698 3.719 1.00 21.51 H new ATOM 0 HA ILE A 40 -3.461 -6.371 4.743 1.00 73.55 H new ATOM 0 HB ILE A 40 -6.221 -7.653 5.111 1.00 10.45 H new ATOM 0 HG12 ILE A 40 -5.293 -5.432 3.216 1.00 73.25 H new ATOM 0 HG13 ILE A 40 -5.451 -7.115 2.754 1.00 73.25 H new ATOM 0 HG21 ILE A 40 -7.111 -5.435 5.705 1.00 64.32 H new ATOM 0 HG22 ILE A 40 -5.947 -6.039 6.908 1.00 64.32 H new ATOM 0 HG23 ILE A 40 -5.454 -4.786 5.744 1.00 64.32 H new ATOM 0 HD11 ILE A 40 -7.377 -5.813 1.995 1.00 71.53 H new ATOM 0 HD12 ILE A 40 -7.880 -7.023 3.199 1.00 71.53 H new ATOM 0 HD13 ILE A 40 -7.720 -5.314 3.668 1.00 71.53 H new ATOM 637 N ARG A 41 -4.436 -8.421 7.190 1.00 50.41 N ATOM 638 CA ARG A 41 -4.254 -8.815 8.601 1.00 70.42 C ATOM 639 C ARG A 41 -2.759 -8.965 8.943 1.00 64.34 C ATOM 640 O ARG A 41 -2.271 -8.339 9.880 1.00 14.52 O ATOM 641 CB ARG A 41 -5.004 -10.151 8.890 1.00 64.11 C ATOM 642 CG ARG A 41 -6.525 -10.113 8.617 1.00 40.34 C ATOM 643 CD ARG A 41 -7.288 -9.173 9.553 1.00 0.14 C ATOM 644 NE ARG A 41 -7.285 -9.666 10.940 1.00 62.22 N ATOM 645 CZ ARG A 41 -7.255 -8.913 12.049 1.00 75.50 C ATOM 646 NH1 ARG A 41 -7.219 -7.578 11.990 1.00 21.34 N ATOM 647 NH2 ARG A 41 -7.265 -9.509 13.231 1.00 70.10 N ATOM 0 H ARG A 41 -5.107 -9.006 6.692 1.00 50.41 H new ATOM 0 HA ARG A 41 -4.673 -8.028 9.229 1.00 70.42 H new ATOM 0 HB2 ARG A 41 -4.560 -10.939 8.282 1.00 64.11 H new ATOM 0 HB3 ARG A 41 -4.843 -10.423 9.933 1.00 64.11 H new ATOM 0 HG2 ARG A 41 -6.694 -9.802 7.586 1.00 40.34 H new ATOM 0 HG3 ARG A 41 -6.930 -11.120 8.717 1.00 40.34 H new ATOM 0 HD2 ARG A 41 -6.838 -8.181 9.518 1.00 0.14 H new ATOM 0 HD3 ARG A 41 -8.316 -9.069 9.206 1.00 0.14 H new ATOM 0 HE ARG A 41 -7.308 -10.677 11.070 1.00 62.22 H new ATOM 0 HH11 ARG A 41 -7.214 -7.107 11.085 1.00 21.34 H new ATOM 0 HH12 ARG A 41 -7.197 -7.030 12.850 1.00 21.34 H new ATOM 0 HH21 ARG A 41 -7.295 -10.527 13.289 1.00 70.10 H new ATOM 0 HH22 ARG A 41 -7.243 -8.950 14.084 1.00 70.10 H new ATOM 661 N ASP A 42 -2.053 -9.738 8.094 1.00 32.33 N ATOM 662 CA ASP A 42 -0.611 -10.052 8.237 1.00 71.03 C ATOM 663 C ASP A 42 0.267 -8.778 8.203 1.00 44.33 C ATOM 664 O ASP A 42 1.248 -8.663 8.952 1.00 41.52 O ATOM 665 CB ASP A 42 -0.191 -11.010 7.090 1.00 50.20 C ATOM 666 CG ASP A 42 1.270 -11.488 7.187 1.00 73.34 C ATOM 667 OD1 ASP A 42 1.551 -12.405 7.987 1.00 41.12 O ATOM 668 OD2 ASP A 42 2.139 -10.965 6.458 1.00 62.12 O ATOM 0 H ASP A 42 -2.474 -10.172 7.273 1.00 32.33 H new ATOM 0 HA ASP A 42 -0.459 -10.525 9.207 1.00 71.03 H new ATOM 0 HB2 ASP A 42 -0.849 -11.879 7.095 1.00 50.20 H new ATOM 0 HB3 ASP A 42 -0.336 -10.505 6.135 1.00 50.20 H new ATOM 673 N ILE A 43 -0.132 -7.822 7.337 1.00 23.01 N ATOM 674 CA ILE A 43 0.589 -6.556 7.112 1.00 1.45 C ATOM 675 C ILE A 43 0.525 -5.685 8.376 1.00 43.30 C ATOM 676 O ILE A 43 1.546 -5.210 8.889 1.00 3.01 O ATOM 677 CB ILE A 43 -0.045 -5.799 5.872 1.00 73.31 C ATOM 678 CG1 ILE A 43 0.261 -6.561 4.539 1.00 63.34 C ATOM 679 CG2 ILE A 43 0.412 -4.327 5.785 1.00 1.12 C ATOM 680 CD1 ILE A 43 -0.541 -6.082 3.335 1.00 73.22 C ATOM 0 H ILE A 43 -0.974 -7.911 6.769 1.00 23.01 H new ATOM 0 HA ILE A 43 1.636 -6.765 6.895 1.00 1.45 H new ATOM 0 HB ILE A 43 -1.124 -5.786 6.024 1.00 73.31 H new ATOM 0 HG12 ILE A 43 1.323 -6.461 4.314 1.00 63.34 H new ATOM 0 HG13 ILE A 43 0.066 -7.623 4.690 1.00 63.34 H new ATOM 0 HG21 ILE A 43 -0.050 -3.853 4.919 1.00 1.12 H new ATOM 0 HG22 ILE A 43 0.113 -3.799 6.690 1.00 1.12 H new ATOM 0 HG23 ILE A 43 1.497 -4.288 5.684 1.00 1.12 H new ATOM 0 HD11 ILE A 43 -0.264 -6.666 2.457 1.00 73.22 H new ATOM 0 HD12 ILE A 43 -1.605 -6.208 3.533 1.00 73.22 H new ATOM 0 HD13 ILE A 43 -0.329 -5.029 3.152 1.00 73.22 H new ATOM 692 N ILE A 44 -0.696 -5.537 8.895 1.00 10.53 N ATOM 693 CA ILE A 44 -0.977 -4.669 10.034 1.00 70.34 C ATOM 694 C ILE A 44 -0.451 -5.299 11.341 1.00 54.45 C ATOM 695 O ILE A 44 -0.002 -4.564 12.209 1.00 52.10 O ATOM 696 CB ILE A 44 -2.515 -4.301 10.059 1.00 5.32 C ATOM 697 CG1 ILE A 44 -2.845 -3.497 8.748 1.00 70.01 C ATOM 698 CG2 ILE A 44 -2.919 -3.506 11.329 1.00 20.03 C ATOM 699 CD1 ILE A 44 -4.272 -3.030 8.600 1.00 52.13 C ATOM 0 H ILE A 44 -1.519 -6.019 8.533 1.00 10.53 H new ATOM 0 HA ILE A 44 -0.440 -3.726 9.933 1.00 70.34 H new ATOM 0 HB ILE A 44 -3.099 -5.221 10.095 1.00 5.32 H new ATOM 0 HG12 ILE A 44 -2.192 -2.625 8.706 1.00 70.01 H new ATOM 0 HG13 ILE A 44 -2.597 -4.122 7.890 1.00 70.01 H new ATOM 0 HG21 ILE A 44 -3.985 -3.280 11.293 1.00 20.03 H new ATOM 0 HG22 ILE A 44 -2.704 -4.103 12.215 1.00 20.03 H new ATOM 0 HG23 ILE A 44 -2.352 -2.576 11.372 1.00 20.03 H new ATOM 0 HD11 ILE A 44 -4.382 -2.488 7.661 1.00 52.13 H new ATOM 0 HD12 ILE A 44 -4.939 -3.892 8.602 1.00 52.13 H new ATOM 0 HD13 ILE A 44 -4.527 -2.372 9.430 1.00 52.13 H new ATOM 711 N LYS A 45 -0.401 -6.661 11.419 1.00 72.12 N ATOM 712 CA LYS A 45 0.266 -7.394 12.547 1.00 33.04 C ATOM 713 C LYS A 45 1.697 -6.887 12.749 1.00 11.25 C ATOM 714 O LYS A 45 2.113 -6.543 13.863 1.00 64.43 O ATOM 715 CB LYS A 45 0.317 -8.931 12.297 1.00 21.02 C ATOM 716 CG LYS A 45 -1.041 -9.644 12.380 1.00 33.21 C ATOM 717 CD LYS A 45 -0.965 -11.116 11.904 1.00 12.31 C ATOM 718 CE LYS A 45 -2.351 -11.760 11.759 1.00 55.22 C ATOM 719 NZ LYS A 45 -2.265 -13.151 11.233 1.00 64.21 N ATOM 0 H LYS A 45 -0.813 -7.276 10.717 1.00 72.12 H new ATOM 0 HA LYS A 45 -0.332 -7.203 13.438 1.00 33.04 H new ATOM 0 HB2 LYS A 45 0.746 -9.110 11.311 1.00 21.02 H new ATOM 0 HB3 LYS A 45 0.992 -9.381 13.025 1.00 21.02 H new ATOM 0 HG2 LYS A 45 -1.401 -9.616 13.408 1.00 33.21 H new ATOM 0 HG3 LYS A 45 -1.769 -9.106 11.773 1.00 33.21 H new ATOM 0 HD2 LYS A 45 -0.446 -11.158 10.946 1.00 12.31 H new ATOM 0 HD3 LYS A 45 -0.372 -11.694 12.613 1.00 12.31 H new ATOM 0 HE2 LYS A 45 -2.850 -11.768 12.728 1.00 55.22 H new ATOM 0 HE3 LYS A 45 -2.964 -11.156 11.090 1.00 55.22 H new ATOM 0 HZ1 LYS A 45 -3.222 -13.550 11.150 1.00 64.21 H new ATOM 0 HZ2 LYS A 45 -1.811 -13.141 10.297 1.00 64.21 H new ATOM 0 HZ3 LYS A 45 -1.702 -13.734 11.884 1.00 64.21 H new ATOM 733 N SER A 46 2.416 -6.806 11.626 1.00 4.21 N ATOM 734 CA SER A 46 3.824 -6.451 11.616 1.00 74.24 C ATOM 735 C SER A 46 4.022 -4.937 11.728 1.00 73.21 C ATOM 736 O SER A 46 5.041 -4.501 12.227 1.00 63.21 O ATOM 737 CB SER A 46 4.498 -7.026 10.349 1.00 60.12 C ATOM 738 OG SER A 46 3.900 -6.536 9.165 1.00 60.22 O ATOM 0 H SER A 46 2.030 -6.987 10.699 1.00 4.21 H new ATOM 0 HA SER A 46 4.302 -6.892 12.491 1.00 74.24 H new ATOM 0 HB2 SER A 46 5.557 -6.770 10.353 1.00 60.12 H new ATOM 0 HB3 SER A 46 4.433 -8.114 10.365 1.00 60.12 H new ATOM 0 HG SER A 46 3.099 -6.020 9.393 1.00 60.22 H new ATOM 744 N MET A 47 3.021 -4.139 11.295 1.00 53.44 N ATOM 745 CA MET A 47 3.080 -2.658 11.396 1.00 23.34 C ATOM 746 C MET A 47 2.735 -2.169 12.820 1.00 31.14 C ATOM 747 O MET A 47 3.000 -1.013 13.164 1.00 3.15 O ATOM 748 CB MET A 47 2.154 -1.996 10.343 1.00 13.34 C ATOM 749 CG MET A 47 2.625 -2.197 8.895 1.00 35.54 C ATOM 750 SD MET A 47 4.323 -1.635 8.614 1.00 43.43 S ATOM 751 CE MET A 47 4.216 0.109 9.022 1.00 63.23 C ATOM 0 H MET A 47 2.162 -4.492 10.872 1.00 53.44 H new ATOM 0 HA MET A 47 4.106 -2.356 11.187 1.00 23.34 H new ATOM 0 HB2 MET A 47 1.149 -2.403 10.449 1.00 13.34 H new ATOM 0 HB3 MET A 47 2.089 -0.928 10.550 1.00 13.34 H new ATOM 0 HG2 MET A 47 2.552 -3.254 8.639 1.00 35.54 H new ATOM 0 HG3 MET A 47 1.955 -1.659 8.224 1.00 35.54 H new ATOM 0 HE1 MET A 47 4.879 0.677 8.369 1.00 63.23 H new ATOM 0 HE2 MET A 47 3.191 0.452 8.885 1.00 63.23 H new ATOM 0 HE3 MET A 47 4.513 0.259 10.060 1.00 63.23 H new ATOM 761 N LYS A 48 2.122 -3.053 13.632 1.00 72.41 N ATOM 762 CA LYS A 48 1.929 -2.812 15.080 1.00 41.04 C ATOM 763 C LYS A 48 3.243 -3.054 15.841 1.00 11.45 C ATOM 764 O LYS A 48 3.506 -2.433 16.868 1.00 54.05 O ATOM 765 CB LYS A 48 0.793 -3.714 15.643 1.00 44.12 C ATOM 766 CG LYS A 48 -0.569 -3.437 14.975 1.00 2.14 C ATOM 767 CD LYS A 48 -1.743 -4.304 15.497 1.00 55.13 C ATOM 768 CE LYS A 48 -1.579 -5.797 15.160 1.00 70.33 C ATOM 769 NZ LYS A 48 -2.807 -6.590 15.455 1.00 54.23 N ATOM 0 H LYS A 48 1.749 -3.946 13.309 1.00 72.41 H new ATOM 0 HA LYS A 48 1.634 -1.772 15.220 1.00 41.04 H new ATOM 0 HB2 LYS A 48 1.059 -4.761 15.497 1.00 44.12 H new ATOM 0 HB3 LYS A 48 0.706 -3.554 16.718 1.00 44.12 H new ATOM 0 HG2 LYS A 48 -0.821 -2.386 15.120 1.00 2.14 H new ATOM 0 HG3 LYS A 48 -0.469 -3.596 13.901 1.00 2.14 H new ATOM 0 HD2 LYS A 48 -1.822 -4.187 16.578 1.00 55.13 H new ATOM 0 HD3 LYS A 48 -2.676 -3.940 15.068 1.00 55.13 H new ATOM 0 HE2 LYS A 48 -1.328 -5.902 14.104 1.00 70.33 H new ATOM 0 HE3 LYS A 48 -0.743 -6.204 15.728 1.00 70.33 H new ATOM 0 HZ1 LYS A 48 -2.616 -7.248 16.238 1.00 54.23 H new ATOM 0 HZ2 LYS A 48 -3.579 -5.947 15.724 1.00 54.23 H new ATOM 0 HZ3 LYS A 48 -3.084 -7.129 14.610 1.00 54.23 H new ATOM 783 N ASP A 49 4.061 -3.979 15.316 1.00 65.32 N ATOM 784 CA ASP A 49 5.394 -4.286 15.861 1.00 74.54 C ATOM 785 C ASP A 49 6.442 -3.271 15.355 1.00 62.33 C ATOM 786 O ASP A 49 7.338 -2.859 16.094 1.00 3.01 O ATOM 787 CB ASP A 49 5.803 -5.731 15.468 1.00 20.15 C ATOM 788 CG ASP A 49 7.196 -6.131 15.999 1.00 41.23 C ATOM 789 OD1 ASP A 49 7.309 -6.524 17.183 1.00 23.22 O ATOM 790 OD2 ASP A 49 8.187 -6.055 15.236 1.00 62.10 O ATOM 0 H ASP A 49 3.816 -4.538 14.498 1.00 65.32 H new ATOM 0 HA ASP A 49 5.352 -4.212 16.948 1.00 74.54 H new ATOM 0 HB2 ASP A 49 5.060 -6.430 15.852 1.00 20.15 H new ATOM 0 HB3 ASP A 49 5.795 -5.822 14.382 1.00 20.15 H new ATOM 795 N ASN A 50 6.302 -2.865 14.082 1.00 4.24 N ATOM 796 CA ASN A 50 7.301 -2.032 13.377 1.00 71.44 C ATOM 797 C ASN A 50 6.946 -0.546 13.486 1.00 51.34 C ATOM 798 O ASN A 50 5.781 -0.159 13.341 1.00 65.12 O ATOM 799 CB ASN A 50 7.391 -2.432 11.877 1.00 72.50 C ATOM 800 CG ASN A 50 8.065 -3.789 11.595 1.00 72.05 C ATOM 801 OD1 ASN A 50 8.707 -3.955 10.555 1.00 34.41 O ATOM 802 ND2 ASN A 50 7.912 -4.777 12.476 1.00 3.30 N ATOM 0 H ASN A 50 5.493 -3.104 13.509 1.00 4.24 H new ATOM 0 HA ASN A 50 8.267 -2.203 13.852 1.00 71.44 H new ATOM 0 HB2 ASN A 50 6.383 -2.453 11.463 1.00 72.50 H new ATOM 0 HB3 ASN A 50 7.939 -1.655 11.343 1.00 72.50 H new ATOM 0 HD21 ASN A 50 8.329 -5.690 12.296 1.00 3.30 H new ATOM 0 HD22 ASN A 50 7.377 -4.620 13.330 1.00 3.30 H new ATOM 809 N GLY A 51 7.972 0.278 13.759 1.00 51.15 N ATOM 810 CA GLY A 51 7.847 1.742 13.726 1.00 21.04 C ATOM 811 C GLY A 51 8.231 2.332 12.372 1.00 15.31 C ATOM 812 O GLY A 51 8.253 3.556 12.215 1.00 71.51 O ATOM 0 H GLY A 51 8.905 -0.051 14.007 1.00 51.15 H new ATOM 0 HA2 GLY A 51 6.820 2.021 13.962 1.00 21.04 H new ATOM 0 HA3 GLY A 51 8.481 2.175 14.500 1.00 21.04 H new ATOM 816 N LYS A 52 8.512 1.444 11.394 1.00 3.04 N ATOM 817 CA LYS A 52 8.939 1.820 10.029 1.00 24.31 C ATOM 818 C LYS A 52 7.742 2.318 9.176 1.00 73.42 C ATOM 819 O LYS A 52 6.591 2.179 9.582 1.00 53.11 O ATOM 820 CB LYS A 52 9.581 0.591 9.317 1.00 45.30 C ATOM 821 CG LYS A 52 8.591 -0.562 8.975 1.00 74.14 C ATOM 822 CD LYS A 52 9.101 -1.498 7.852 1.00 20.50 C ATOM 823 CE LYS A 52 10.455 -2.134 8.164 1.00 64.53 C ATOM 824 NZ LYS A 52 10.983 -2.871 6.991 1.00 32.51 N ATOM 0 H LYS A 52 8.448 0.435 11.532 1.00 3.04 H new ATOM 0 HA LYS A 52 9.665 2.628 10.122 1.00 24.31 H new ATOM 0 HB2 LYS A 52 10.053 0.930 8.395 1.00 45.30 H new ATOM 0 HB3 LYS A 52 10.372 0.194 9.953 1.00 45.30 H new ATOM 0 HG2 LYS A 52 8.407 -1.151 9.873 1.00 74.14 H new ATOM 0 HG3 LYS A 52 7.635 -0.133 8.674 1.00 74.14 H new ATOM 0 HD2 LYS A 52 8.367 -2.286 7.684 1.00 20.50 H new ATOM 0 HD3 LYS A 52 9.178 -0.932 6.924 1.00 20.50 H new ATOM 0 HE2 LYS A 52 11.164 -1.361 8.460 1.00 64.53 H new ATOM 0 HE3 LYS A 52 10.354 -2.815 9.009 1.00 64.53 H new ATOM 0 HZ1 LYS A 52 11.334 -3.802 7.295 1.00 32.51 H new ATOM 0 HZ2 LYS A 52 10.224 -2.999 6.291 1.00 32.51 H new ATOM 0 HZ3 LYS A 52 11.762 -2.330 6.563 1.00 32.51 H new ATOM 838 N PRO A 53 7.997 2.912 7.972 1.00 4.35 N ATOM 839 CA PRO A 53 6.966 3.045 6.918 1.00 31.33 C ATOM 840 C PRO A 53 6.849 1.760 6.065 1.00 75.54 C ATOM 841 O PRO A 53 7.728 0.887 6.103 1.00 24.14 O ATOM 842 CB PRO A 53 7.498 4.216 6.086 1.00 64.32 C ATOM 843 CG PRO A 53 8.968 4.032 6.142 1.00 50.02 C ATOM 844 CD PRO A 53 9.266 3.574 7.558 1.00 44.02 C ATOM 0 HA PRO A 53 5.964 3.207 7.314 1.00 31.33 H new ATOM 0 HB2 PRO A 53 7.127 4.183 5.062 1.00 64.32 H new ATOM 0 HB3 PRO A 53 7.196 5.176 6.504 1.00 64.32 H new ATOM 0 HG2 PRO A 53 9.299 3.293 5.413 1.00 50.02 H new ATOM 0 HG3 PRO A 53 9.489 4.962 5.912 1.00 50.02 H new ATOM 0 HD2 PRO A 53 10.110 2.884 7.590 1.00 44.02 H new ATOM 0 HD3 PRO A 53 9.515 4.412 8.209 1.00 44.02 H new ATOM 852 N LEU A 54 5.779 1.670 5.276 1.00 14.14 N ATOM 853 CA LEU A 54 5.502 0.510 4.416 1.00 4.11 C ATOM 854 C LEU A 54 4.728 0.992 3.180 1.00 71.13 C ATOM 855 O LEU A 54 4.207 2.098 3.179 1.00 43.14 O ATOM 856 CB LEU A 54 4.691 -0.566 5.206 1.00 1.40 C ATOM 857 CG LEU A 54 4.797 -2.030 4.664 1.00 35.43 C ATOM 858 CD1 LEU A 54 6.207 -2.610 4.901 1.00 73.40 C ATOM 859 CD2 LEU A 54 3.715 -2.934 5.269 1.00 23.12 C ATOM 0 H LEU A 54 5.072 2.403 5.212 1.00 14.14 H new ATOM 0 HA LEU A 54 6.436 0.047 4.096 1.00 4.11 H new ATOM 0 HB2 LEU A 54 5.026 -0.557 6.243 1.00 1.40 H new ATOM 0 HB3 LEU A 54 3.641 -0.274 5.207 1.00 1.40 H new ATOM 0 HG LEU A 54 4.627 -1.995 3.588 1.00 35.43 H new ATOM 0 HD11 LEU A 54 6.251 -3.628 4.514 1.00 73.40 H new ATOM 0 HD12 LEU A 54 6.945 -1.994 4.387 1.00 73.40 H new ATOM 0 HD13 LEU A 54 6.422 -2.618 5.970 1.00 73.40 H new ATOM 0 HD21 LEU A 54 3.819 -3.943 4.870 1.00 23.12 H new ATOM 0 HD22 LEU A 54 3.826 -2.959 6.353 1.00 23.12 H new ATOM 0 HD23 LEU A 54 2.730 -2.543 5.014 1.00 23.12 H new ATOM 871 N VAL A 55 4.639 0.152 2.148 1.00 65.45 N ATOM 872 CA VAL A 55 3.994 0.489 0.866 1.00 22.21 C ATOM 873 C VAL A 55 3.191 -0.736 0.411 1.00 33.12 C ATOM 874 O VAL A 55 3.769 -1.730 -0.037 1.00 2.23 O ATOM 875 CB VAL A 55 5.032 0.893 -0.265 1.00 42.33 C ATOM 876 CG1 VAL A 55 4.304 1.216 -1.587 1.00 22.25 C ATOM 877 CG2 VAL A 55 5.940 2.075 0.167 1.00 33.01 C ATOM 0 H VAL A 55 5.016 -0.795 2.173 1.00 65.45 H new ATOM 0 HA VAL A 55 3.355 1.358 1.023 1.00 22.21 H new ATOM 0 HB VAL A 55 5.681 0.032 -0.426 1.00 42.33 H new ATOM 0 HG11 VAL A 55 5.035 1.490 -2.347 1.00 22.25 H new ATOM 0 HG12 VAL A 55 3.747 0.340 -1.919 1.00 22.25 H new ATOM 0 HG13 VAL A 55 3.615 2.046 -1.430 1.00 22.25 H new ATOM 0 HG21 VAL A 55 6.633 2.315 -0.639 1.00 33.01 H new ATOM 0 HG22 VAL A 55 5.323 2.946 0.387 1.00 33.01 H new ATOM 0 HG23 VAL A 55 6.503 1.795 1.058 1.00 33.01 H new ATOM 887 N VAL A 56 1.863 -0.674 0.574 1.00 23.22 N ATOM 888 CA VAL A 56 0.952 -1.782 0.248 1.00 23.31 C ATOM 889 C VAL A 56 0.168 -1.493 -1.044 1.00 13.25 C ATOM 890 O VAL A 56 -0.700 -0.619 -1.073 1.00 2.24 O ATOM 891 CB VAL A 56 -0.014 -2.080 1.457 1.00 25.02 C ATOM 892 CG1 VAL A 56 -1.146 -3.065 1.085 1.00 33.11 C ATOM 893 CG2 VAL A 56 0.803 -2.613 2.657 1.00 14.13 C ATOM 0 H VAL A 56 1.386 0.151 0.938 1.00 23.22 H new ATOM 0 HA VAL A 56 1.550 -2.676 0.071 1.00 23.31 H new ATOM 0 HB VAL A 56 -0.498 -1.142 1.731 1.00 25.02 H new ATOM 0 HG11 VAL A 56 -1.781 -3.234 1.954 1.00 33.11 H new ATOM 0 HG12 VAL A 56 -1.743 -2.644 0.276 1.00 33.11 H new ATOM 0 HG13 VAL A 56 -0.713 -4.012 0.762 1.00 33.11 H new ATOM 0 HG21 VAL A 56 0.132 -2.818 3.491 1.00 14.13 H new ATOM 0 HG22 VAL A 56 1.315 -3.531 2.369 1.00 14.13 H new ATOM 0 HG23 VAL A 56 1.538 -1.866 2.957 1.00 14.13 H new ATOM 903 N PHE A 57 0.495 -2.246 -2.104 1.00 53.13 N ATOM 904 CA PHE A 57 -0.199 -2.190 -3.394 1.00 43.34 C ATOM 905 C PHE A 57 -1.469 -3.048 -3.323 1.00 45.11 C ATOM 906 O PHE A 57 -1.385 -4.265 -3.121 1.00 35.22 O ATOM 907 CB PHE A 57 0.736 -2.710 -4.518 1.00 63.31 C ATOM 908 CG PHE A 57 1.924 -1.804 -4.804 1.00 70.31 C ATOM 909 CD1 PHE A 57 1.804 -0.756 -5.711 1.00 10.03 C ATOM 910 CD2 PHE A 57 3.152 -1.983 -4.158 1.00 51.43 C ATOM 911 CE1 PHE A 57 2.862 0.084 -5.963 1.00 13.40 C ATOM 912 CE2 PHE A 57 4.213 -1.138 -4.419 1.00 31.41 C ATOM 913 CZ PHE A 57 4.066 -0.103 -5.320 1.00 53.22 C ATOM 0 H PHE A 57 1.260 -2.920 -2.087 1.00 53.13 H new ATOM 0 HA PHE A 57 -0.473 -1.159 -3.617 1.00 43.34 H new ATOM 0 HB2 PHE A 57 1.104 -3.698 -4.242 1.00 63.31 H new ATOM 0 HB3 PHE A 57 0.155 -2.830 -5.433 1.00 63.31 H new ATOM 0 HD1 PHE A 57 0.866 -0.600 -6.224 1.00 10.03 H new ATOM 0 HD2 PHE A 57 3.271 -2.789 -3.449 1.00 51.43 H new ATOM 0 HE1 PHE A 57 2.749 0.894 -6.668 1.00 13.40 H new ATOM 0 HE2 PHE A 57 5.158 -1.287 -3.918 1.00 31.41 H new ATOM 0 HZ PHE A 57 4.894 0.560 -5.521 1.00 53.22 H new ATOM 923 N VAL A 58 -2.634 -2.407 -3.480 1.00 31.11 N ATOM 924 CA VAL A 58 -3.939 -3.083 -3.452 1.00 14.03 C ATOM 925 C VAL A 58 -4.126 -3.852 -4.779 1.00 20.23 C ATOM 926 O VAL A 58 -4.746 -3.364 -5.729 1.00 72.35 O ATOM 927 CB VAL A 58 -5.097 -2.030 -3.217 1.00 12.11 C ATOM 928 CG1 VAL A 58 -6.500 -2.679 -3.168 1.00 14.12 C ATOM 929 CG2 VAL A 58 -4.828 -1.210 -1.936 1.00 50.55 C ATOM 0 H VAL A 58 -2.699 -1.400 -3.631 1.00 31.11 H new ATOM 0 HA VAL A 58 -3.979 -3.793 -2.626 1.00 14.03 H new ATOM 0 HB VAL A 58 -5.095 -1.361 -4.077 1.00 12.11 H new ATOM 0 HG11 VAL A 58 -7.252 -1.907 -3.005 1.00 14.12 H new ATOM 0 HG12 VAL A 58 -6.699 -3.186 -4.112 1.00 14.12 H new ATOM 0 HG13 VAL A 58 -6.538 -3.402 -2.353 1.00 14.12 H new ATOM 0 HG21 VAL A 58 -5.633 -0.490 -1.789 1.00 50.55 H new ATOM 0 HG22 VAL A 58 -4.779 -1.881 -1.078 1.00 50.55 H new ATOM 0 HG23 VAL A 58 -3.881 -0.679 -2.036 1.00 50.55 H new ATOM 939 N ASN A 59 -3.540 -5.057 -4.838 1.00 54.35 N ATOM 940 CA ASN A 59 -3.498 -5.875 -6.056 1.00 21.32 C ATOM 941 C ASN A 59 -4.834 -6.612 -6.260 1.00 73.44 C ATOM 942 O ASN A 59 -5.001 -7.756 -5.836 1.00 63.50 O ATOM 943 CB ASN A 59 -2.290 -6.855 -5.981 1.00 52.24 C ATOM 944 CG ASN A 59 -2.085 -7.666 -7.262 1.00 73.23 C ATOM 945 OD1 ASN A 59 -1.379 -7.240 -8.180 1.00 54.50 O ATOM 946 ND2 ASN A 59 -2.702 -8.836 -7.340 1.00 32.14 N ATOM 0 H ASN A 59 -3.080 -5.492 -4.038 1.00 54.35 H new ATOM 0 HA ASN A 59 -3.357 -5.233 -6.925 1.00 21.32 H new ATOM 0 HB2 ASN A 59 -1.384 -6.287 -5.770 1.00 52.24 H new ATOM 0 HB3 ASN A 59 -2.439 -7.540 -5.146 1.00 52.24 H new ATOM 0 HD21 ASN A 59 -2.600 -9.412 -8.176 1.00 32.14 H new ATOM 0 HD22 ASN A 59 -3.279 -9.161 -6.564 1.00 32.14 H new ATOM 953 N GLY A 60 -5.802 -5.911 -6.868 1.00 41.20 N ATOM 954 CA GLY A 60 -7.089 -6.511 -7.226 1.00 0.12 C ATOM 955 C GLY A 60 -8.004 -6.780 -6.036 1.00 63.52 C ATOM 956 O GLY A 60 -8.843 -7.687 -6.091 1.00 74.31 O ATOM 0 H GLY A 60 -5.715 -4.927 -7.121 1.00 41.20 H new ATOM 0 HA2 GLY A 60 -7.604 -5.851 -7.924 1.00 0.12 H new ATOM 0 HA3 GLY A 60 -6.907 -7.449 -7.750 1.00 0.12 H new ATOM 960 N ALA A 61 -7.847 -5.996 -4.957 1.00 64.02 N ATOM 961 CA ALA A 61 -8.682 -6.131 -3.750 1.00 73.33 C ATOM 962 C ALA A 61 -9.837 -5.112 -3.802 1.00 23.05 C ATOM 963 O ALA A 61 -9.633 -3.959 -4.200 1.00 71.13 O ATOM 964 CB ALA A 61 -7.823 -5.970 -2.478 1.00 44.44 C ATOM 0 H ALA A 61 -7.146 -5.258 -4.895 1.00 64.02 H new ATOM 0 HA ALA A 61 -9.117 -7.130 -3.717 1.00 73.33 H new ATOM 0 HB1 ALA A 61 -8.456 -6.073 -1.596 1.00 44.44 H new ATOM 0 HB2 ALA A 61 -7.050 -6.738 -2.461 1.00 44.44 H new ATOM 0 HB3 ALA A 61 -7.356 -4.985 -2.477 1.00 44.44 H new ATOM 970 N SER A 62 -11.048 -5.558 -3.406 1.00 75.53 N ATOM 971 CA SER A 62 -12.294 -4.770 -3.492 1.00 21.35 C ATOM 972 C SER A 62 -12.335 -3.681 -2.407 1.00 14.03 C ATOM 973 O SER A 62 -11.607 -3.760 -1.411 1.00 0.22 O ATOM 974 CB SER A 62 -13.502 -5.729 -3.352 1.00 20.22 C ATOM 975 OG SER A 62 -13.435 -6.778 -4.313 1.00 22.33 O ATOM 0 H SER A 62 -11.189 -6.488 -3.012 1.00 75.53 H new ATOM 0 HA SER A 62 -12.336 -4.267 -4.458 1.00 21.35 H new ATOM 0 HB2 SER A 62 -13.521 -6.152 -2.348 1.00 20.22 H new ATOM 0 HB3 SER A 62 -14.430 -5.172 -3.481 1.00 20.22 H new ATOM 0 HG SER A 62 -14.207 -7.371 -4.204 1.00 22.33 H new ATOM 981 N GLN A 63 -13.221 -2.678 -2.614 1.00 74.11 N ATOM 982 CA GLN A 63 -13.380 -1.514 -1.714 1.00 3.44 C ATOM 983 C GLN A 63 -13.849 -1.945 -0.309 1.00 72.11 C ATOM 984 O GLN A 63 -13.557 -1.268 0.669 1.00 53.14 O ATOM 985 CB GLN A 63 -14.355 -0.461 -2.338 1.00 64.11 C ATOM 986 CG GLN A 63 -14.495 0.864 -1.537 1.00 70.03 C ATOM 987 CD GLN A 63 -13.166 1.601 -1.318 1.00 74.40 C ATOM 988 OE1 GLN A 63 -12.249 1.541 -2.139 1.00 43.33 O ATOM 989 NE2 GLN A 63 -13.046 2.297 -0.205 1.00 72.00 N ATOM 0 H GLN A 63 -13.850 -2.655 -3.417 1.00 74.11 H new ATOM 0 HA GLN A 63 -12.403 -1.045 -1.599 1.00 3.44 H new ATOM 0 HB2 GLN A 63 -14.013 -0.224 -3.345 1.00 64.11 H new ATOM 0 HB3 GLN A 63 -15.341 -0.915 -2.435 1.00 64.11 H new ATOM 0 HG2 GLN A 63 -15.183 1.525 -2.064 1.00 70.03 H new ATOM 0 HG3 GLN A 63 -14.942 0.646 -0.567 1.00 70.03 H new ATOM 0 HE21 GLN A 63 -13.818 2.332 0.460 1.00 72.00 H new ATOM 0 HE22 GLN A 63 -12.181 2.800 -0.009 1.00 72.00 H new ATOM 998 N ASN A 64 -14.562 -3.089 -0.236 1.00 23.44 N ATOM 999 CA ASN A 64 -14.978 -3.715 1.042 1.00 62.41 C ATOM 1000 C ASN A 64 -13.752 -4.019 1.925 1.00 52.32 C ATOM 1001 O ASN A 64 -13.729 -3.683 3.107 1.00 12.52 O ATOM 1002 CB ASN A 64 -15.774 -5.029 0.773 1.00 14.15 C ATOM 1003 CG ASN A 64 -17.099 -4.830 0.025 1.00 24.23 C ATOM 1004 OD1 ASN A 64 -17.247 -3.927 -0.805 1.00 64.33 O ATOM 1005 ND2 ASN A 64 -18.077 -5.670 0.320 1.00 71.01 N ATOM 0 H ASN A 64 -14.867 -3.607 -1.060 1.00 23.44 H new ATOM 0 HA ASN A 64 -15.623 -3.011 1.568 1.00 62.41 H new ATOM 0 HB2 ASN A 64 -15.145 -5.708 0.197 1.00 14.15 H new ATOM 0 HB3 ASN A 64 -15.979 -5.516 1.726 1.00 14.15 H new ATOM 0 HD21 ASN A 64 -18.982 -5.582 -0.142 1.00 71.01 H new ATOM 0 HD22 ASN A 64 -17.926 -6.406 1.010 1.00 71.01 H new ATOM 1012 N ASP A 65 -12.713 -4.603 1.297 1.00 45.52 N ATOM 1013 CA ASP A 65 -11.480 -5.046 1.993 1.00 74.42 C ATOM 1014 C ASP A 65 -10.475 -3.889 2.127 1.00 63.25 C ATOM 1015 O ASP A 65 -9.629 -3.906 3.023 1.00 53.34 O ATOM 1016 CB ASP A 65 -10.825 -6.335 1.352 1.00 23.45 C ATOM 1017 CG ASP A 65 -11.345 -6.754 -0.047 1.00 4.35 C ATOM 1018 OD1 ASP A 65 -12.577 -6.904 -0.234 1.00 63.12 O ATOM 1019 OD2 ASP A 65 -10.519 -7.022 -0.937 1.00 72.23 O ATOM 0 H ASP A 65 -12.701 -4.783 0.293 1.00 45.52 H new ATOM 0 HA ASP A 65 -11.781 -5.346 2.997 1.00 74.42 H new ATOM 0 HB2 ASP A 65 -9.750 -6.172 1.281 1.00 23.45 H new ATOM 0 HB3 ASP A 65 -10.976 -7.170 2.036 1.00 23.45 H new ATOM 1024 N VAL A 66 -10.585 -2.876 1.246 1.00 33.24 N ATOM 1025 CA VAL A 66 -9.869 -1.593 1.404 1.00 1.24 C ATOM 1026 C VAL A 66 -10.349 -0.908 2.696 1.00 72.21 C ATOM 1027 O VAL A 66 -9.539 -0.452 3.510 1.00 2.34 O ATOM 1028 CB VAL A 66 -10.100 -0.645 0.157 1.00 31.45 C ATOM 1029 CG1 VAL A 66 -9.593 0.793 0.410 1.00 2.25 C ATOM 1030 CG2 VAL A 66 -9.445 -1.242 -1.114 1.00 3.22 C ATOM 0 H VAL A 66 -11.168 -2.922 0.410 1.00 33.24 H new ATOM 0 HA VAL A 66 -8.799 -1.792 1.466 1.00 1.24 H new ATOM 0 HB VAL A 66 -11.177 -0.581 -0.000 1.00 31.45 H new ATOM 0 HG11 VAL A 66 -9.774 1.404 -0.475 1.00 2.25 H new ATOM 0 HG12 VAL A 66 -10.123 1.221 1.261 1.00 2.25 H new ATOM 0 HG13 VAL A 66 -8.524 0.770 0.622 1.00 2.25 H new ATOM 0 HG21 VAL A 66 -9.616 -0.575 -1.959 1.00 3.22 H new ATOM 0 HG22 VAL A 66 -8.373 -1.355 -0.952 1.00 3.22 H new ATOM 0 HG23 VAL A 66 -9.885 -2.216 -1.327 1.00 3.22 H new ATOM 1040 N ASN A 67 -11.685 -0.891 2.878 1.00 43.31 N ATOM 1041 CA ASN A 67 -12.332 -0.322 4.074 1.00 44.45 C ATOM 1042 C ASN A 67 -11.977 -1.136 5.326 1.00 51.04 C ATOM 1043 O ASN A 67 -11.773 -0.562 6.389 1.00 63.52 O ATOM 1044 CB ASN A 67 -13.876 -0.240 3.893 1.00 10.03 C ATOM 1045 CG ASN A 67 -14.301 0.775 2.827 1.00 71.24 C ATOM 1046 OD1 ASN A 67 -13.630 1.788 2.605 1.00 15.44 O ATOM 1047 ND2 ASN A 67 -15.410 0.508 2.151 1.00 51.42 N ATOM 0 H ASN A 67 -12.344 -1.272 2.199 1.00 43.31 H new ATOM 0 HA ASN A 67 -11.954 0.692 4.205 1.00 44.45 H new ATOM 0 HB2 ASN A 67 -14.257 -1.224 3.622 1.00 10.03 H new ATOM 0 HB3 ASN A 67 -14.334 0.028 4.845 1.00 10.03 H new ATOM 0 HD21 ASN A 67 -15.731 1.148 1.424 1.00 51.42 H new ATOM 0 HD22 ASN A 67 -15.942 -0.337 2.358 1.00 51.42 H new ATOM 1054 N GLU A 68 -11.882 -2.482 5.162 1.00 74.34 N ATOM 1055 CA GLU A 68 -11.455 -3.408 6.239 1.00 33.12 C ATOM 1056 C GLU A 68 -10.040 -3.070 6.734 1.00 71.44 C ATOM 1057 O GLU A 68 -9.820 -2.980 7.941 1.00 71.13 O ATOM 1058 CB GLU A 68 -11.524 -4.892 5.768 1.00 11.24 C ATOM 1059 CG GLU A 68 -12.948 -5.470 5.678 1.00 61.22 C ATOM 1060 CD GLU A 68 -12.989 -6.883 5.071 1.00 71.14 C ATOM 1061 OE1 GLU A 68 -12.575 -7.848 5.750 1.00 31.43 O ATOM 1062 OE2 GLU A 68 -13.446 -7.040 3.921 1.00 52.13 O ATOM 0 H GLU A 68 -12.099 -2.952 4.283 1.00 74.34 H new ATOM 0 HA GLU A 68 -12.148 -3.281 7.071 1.00 33.12 H new ATOM 0 HB2 GLU A 68 -11.051 -4.971 4.789 1.00 11.24 H new ATOM 0 HB3 GLU A 68 -10.940 -5.505 6.454 1.00 11.24 H new ATOM 0 HG2 GLU A 68 -13.386 -5.497 6.676 1.00 61.22 H new ATOM 0 HG3 GLU A 68 -13.566 -4.804 5.076 1.00 61.22 H new ATOM 1069 N PHE A 69 -9.108 -2.861 5.773 1.00 34.13 N ATOM 1070 CA PHE A 69 -7.716 -2.441 6.054 1.00 40.44 C ATOM 1071 C PHE A 69 -7.708 -1.183 6.937 1.00 51.45 C ATOM 1072 O PHE A 69 -7.080 -1.152 7.997 1.00 31.21 O ATOM 1073 CB PHE A 69 -6.950 -2.175 4.712 1.00 71.00 C ATOM 1074 CG PHE A 69 -5.534 -1.598 4.873 1.00 72.12 C ATOM 1075 CD1 PHE A 69 -5.323 -0.214 4.969 1.00 30.23 C ATOM 1076 CD2 PHE A 69 -4.415 -2.433 4.948 1.00 14.10 C ATOM 1077 CE1 PHE A 69 -4.058 0.307 5.128 1.00 63.03 C ATOM 1078 CE2 PHE A 69 -3.148 -1.905 5.111 1.00 33.34 C ATOM 1079 CZ PHE A 69 -2.975 -0.537 5.205 1.00 21.13 C ATOM 0 H PHE A 69 -9.302 -2.980 4.779 1.00 34.13 H new ATOM 0 HA PHE A 69 -7.208 -3.243 6.590 1.00 40.44 H new ATOM 0 HB2 PHE A 69 -6.883 -3.111 4.158 1.00 71.00 H new ATOM 0 HB3 PHE A 69 -7.539 -1.487 4.106 1.00 71.00 H new ATOM 0 HD1 PHE A 69 -6.169 0.456 4.917 1.00 30.23 H new ATOM 0 HD2 PHE A 69 -4.542 -3.503 4.878 1.00 14.10 H new ATOM 0 HE1 PHE A 69 -3.917 1.376 5.192 1.00 63.03 H new ATOM 0 HE2 PHE A 69 -2.293 -2.562 5.165 1.00 33.34 H new ATOM 0 HZ PHE A 69 -1.984 -0.129 5.340 1.00 21.13 H new ATOM 1089 N GLN A 70 -8.432 -0.160 6.458 1.00 65.52 N ATOM 1090 CA GLN A 70 -8.539 1.148 7.112 1.00 2.14 C ATOM 1091 C GLN A 70 -9.138 1.045 8.535 1.00 60.32 C ATOM 1092 O GLN A 70 -8.651 1.708 9.456 1.00 14.24 O ATOM 1093 CB GLN A 70 -9.379 2.093 6.213 1.00 5.12 C ATOM 1094 CG GLN A 70 -8.766 2.339 4.815 1.00 13.31 C ATOM 1095 CD GLN A 70 -9.657 3.188 3.906 1.00 23.32 C ATOM 1096 OE1 GLN A 70 -10.531 2.550 3.139 1.00 33.41 O flip ATOM 1097 NE2 GLN A 70 -9.571 4.413 3.898 1.00 42.43 N flip ATOM 0 H GLN A 70 -8.967 -0.222 5.592 1.00 65.52 H new ATOM 0 HA GLN A 70 -7.536 1.557 7.236 1.00 2.14 H new ATOM 0 HB2 GLN A 70 -10.377 1.671 6.092 1.00 5.12 H new ATOM 0 HB3 GLN A 70 -9.497 3.050 6.720 1.00 5.12 H new ATOM 0 HG2 GLN A 70 -7.801 2.833 4.930 1.00 13.31 H new ATOM 0 HG3 GLN A 70 -8.578 1.379 4.334 1.00 13.31 H new ATOM 0 HE21 GLN A 70 -8.891 4.880 4.497 1.00 42.43 H new ATOM 0 HE22 GLN A 70 -10.180 4.963 3.292 1.00 42.43 H new ATOM 1106 N ASN A 71 -10.171 0.188 8.695 1.00 11.12 N ATOM 1107 CA ASN A 71 -10.885 -0.008 9.984 1.00 24.33 C ATOM 1108 C ASN A 71 -9.967 -0.607 11.061 1.00 51.40 C ATOM 1109 O ASN A 71 -9.771 0.008 12.122 1.00 14.13 O ATOM 1110 CB ASN A 71 -12.157 -0.895 9.804 1.00 2.21 C ATOM 1111 CG ASN A 71 -13.275 -0.207 9.017 1.00 41.12 C ATOM 1112 OD1 ASN A 71 -13.447 1.010 9.077 1.00 30.42 O ATOM 1113 ND2 ASN A 71 -14.046 -0.988 8.271 1.00 14.03 N ATOM 0 H ASN A 71 -10.536 -0.389 7.937 1.00 11.12 H new ATOM 0 HA ASN A 71 -11.199 0.980 10.321 1.00 24.33 H new ATOM 0 HB2 ASN A 71 -11.878 -1.817 9.293 1.00 2.21 H new ATOM 0 HB3 ASN A 71 -12.536 -1.177 10.786 1.00 2.21 H new ATOM 0 HD21 ASN A 71 -14.807 -0.583 7.726 1.00 14.03 H new ATOM 0 HD22 ASN A 71 -13.878 -1.994 8.243 1.00 14.03 H new ATOM 1120 N GLU A 72 -9.400 -1.800 10.790 1.00 22.22 N ATOM 1121 CA GLU A 72 -8.517 -2.493 11.747 1.00 4.03 C ATOM 1122 C GLU A 72 -7.250 -1.670 12.045 1.00 71.33 C ATOM 1123 O GLU A 72 -6.764 -1.686 13.167 1.00 62.43 O ATOM 1124 CB GLU A 72 -8.170 -3.919 11.239 1.00 54.35 C ATOM 1125 CG GLU A 72 -7.443 -3.958 9.887 1.00 52.24 C ATOM 1126 CD GLU A 72 -7.222 -5.375 9.350 1.00 33.51 C ATOM 1127 OE1 GLU A 72 -8.112 -5.897 8.642 1.00 45.11 O ATOM 1128 OE2 GLU A 72 -6.168 -5.984 9.660 1.00 33.11 O ATOM 0 H GLU A 72 -9.539 -2.304 9.914 1.00 22.22 H new ATOM 0 HA GLU A 72 -9.056 -2.597 12.689 1.00 4.03 H new ATOM 0 HB2 GLU A 72 -7.549 -4.415 11.985 1.00 54.35 H new ATOM 0 HB3 GLU A 72 -9.092 -4.495 11.158 1.00 54.35 H new ATOM 0 HG2 GLU A 72 -8.019 -3.388 9.158 1.00 52.24 H new ATOM 0 HG3 GLU A 72 -6.478 -3.462 9.989 1.00 52.24 H new ATOM 1135 N ALA A 73 -6.759 -0.901 11.048 1.00 23.51 N ATOM 1136 CA ALA A 73 -5.605 -0.002 11.236 1.00 3.10 C ATOM 1137 C ALA A 73 -5.935 1.142 12.222 1.00 42.51 C ATOM 1138 O ALA A 73 -5.247 1.309 13.231 1.00 70.50 O ATOM 1139 CB ALA A 73 -5.131 0.559 9.882 1.00 42.03 C ATOM 0 H ALA A 73 -7.147 -0.887 10.105 1.00 23.51 H new ATOM 0 HA ALA A 73 -4.793 -0.585 11.671 1.00 3.10 H new ATOM 0 HB1 ALA A 73 -4.279 1.220 10.040 1.00 42.03 H new ATOM 0 HB2 ALA A 73 -4.836 -0.264 9.231 1.00 42.03 H new ATOM 0 HB3 ALA A 73 -5.942 1.118 9.416 1.00 42.03 H new ATOM 1145 N LYS A 74 -7.024 1.895 11.940 1.00 20.11 N ATOM 1146 CA LYS A 74 -7.405 3.094 12.732 1.00 51.42 C ATOM 1147 C LYS A 74 -7.767 2.744 14.198 1.00 54.23 C ATOM 1148 O LYS A 74 -7.526 3.553 15.103 1.00 70.53 O ATOM 1149 CB LYS A 74 -8.577 3.885 12.052 1.00 13.43 C ATOM 1150 CG LYS A 74 -9.977 3.217 12.137 1.00 64.54 C ATOM 1151 CD LYS A 74 -11.098 4.008 11.402 1.00 2.43 C ATOM 1152 CE LYS A 74 -10.887 4.086 9.878 1.00 43.31 C ATOM 1153 NZ LYS A 74 -11.998 4.794 9.177 1.00 51.54 N ATOM 0 H LYS A 74 -7.658 1.694 11.167 1.00 20.11 H new ATOM 0 HA LYS A 74 -6.525 3.736 12.757 1.00 51.42 H new ATOM 0 HB2 LYS A 74 -8.637 4.873 12.509 1.00 13.43 H new ATOM 0 HB3 LYS A 74 -8.329 4.034 11.001 1.00 13.43 H new ATOM 0 HG2 LYS A 74 -9.917 2.214 11.714 1.00 64.54 H new ATOM 0 HG3 LYS A 74 -10.252 3.105 13.186 1.00 64.54 H new ATOM 0 HD2 LYS A 74 -12.059 3.536 11.605 1.00 2.43 H new ATOM 0 HD3 LYS A 74 -11.146 5.019 11.808 1.00 2.43 H new ATOM 0 HE2 LYS A 74 -9.948 4.599 9.671 1.00 43.31 H new ATOM 0 HE3 LYS A 74 -10.794 3.077 9.476 1.00 43.31 H new ATOM 0 HZ1 LYS A 74 -11.805 4.817 8.155 1.00 51.54 H new ATOM 0 HZ2 LYS A 74 -12.893 4.292 9.349 1.00 51.54 H new ATOM 0 HZ3 LYS A 74 -12.072 5.767 9.538 1.00 51.54 H new ATOM 1167 N LYS A 75 -8.331 1.536 14.431 1.00 12.44 N ATOM 1168 CA LYS A 75 -8.729 1.097 15.795 1.00 14.13 C ATOM 1169 C LYS A 75 -7.544 0.464 16.563 1.00 0.01 C ATOM 1170 O LYS A 75 -7.593 0.354 17.794 1.00 62.51 O ATOM 1171 CB LYS A 75 -9.936 0.111 15.747 1.00 10.51 C ATOM 1172 CG LYS A 75 -9.631 -1.294 15.178 1.00 2.31 C ATOM 1173 CD LYS A 75 -10.878 -2.217 15.153 1.00 21.45 C ATOM 1174 CE LYS A 75 -12.007 -1.675 14.264 1.00 64.05 C ATOM 1175 NZ LYS A 75 -13.193 -2.584 14.258 1.00 62.11 N ATOM 0 H LYS A 75 -8.521 0.850 13.700 1.00 12.44 H new ATOM 0 HA LYS A 75 -9.040 1.991 16.336 1.00 14.13 H new ATOM 0 HB2 LYS A 75 -10.328 -0.004 16.757 1.00 10.51 H new ATOM 0 HB3 LYS A 75 -10.727 0.562 15.147 1.00 10.51 H new ATOM 0 HG2 LYS A 75 -9.239 -1.194 14.166 1.00 2.31 H new ATOM 0 HG3 LYS A 75 -8.850 -1.762 15.778 1.00 2.31 H new ATOM 0 HD2 LYS A 75 -10.585 -3.205 14.797 1.00 21.45 H new ATOM 0 HD3 LYS A 75 -11.251 -2.342 16.169 1.00 21.45 H new ATOM 0 HE2 LYS A 75 -12.307 -0.689 14.618 1.00 64.05 H new ATOM 0 HE3 LYS A 75 -11.640 -1.550 13.245 1.00 64.05 H new ATOM 0 HZ1 LYS A 75 -13.934 -2.184 13.647 1.00 62.11 H new ATOM 0 HZ2 LYS A 75 -12.913 -3.518 13.896 1.00 62.11 H new ATOM 0 HZ3 LYS A 75 -13.559 -2.683 15.226 1.00 62.11 H new ATOM 1189 N GLU A 76 -6.498 0.025 15.831 1.00 4.02 N ATOM 1190 CA GLU A 76 -5.259 -0.527 16.435 1.00 64.12 C ATOM 1191 C GLU A 76 -4.093 0.478 16.363 1.00 72.43 C ATOM 1192 O GLU A 76 -2.945 0.096 16.597 1.00 64.34 O ATOM 1193 CB GLU A 76 -4.873 -1.869 15.753 1.00 3.12 C ATOM 1194 CG GLU A 76 -5.956 -2.960 15.868 1.00 1.45 C ATOM 1195 CD GLU A 76 -5.483 -4.330 15.370 1.00 12.50 C ATOM 1196 OE1 GLU A 76 -5.540 -4.605 14.152 1.00 14.32 O ATOM 1197 OE2 GLU A 76 -5.036 -5.143 16.208 1.00 62.20 O ATOM 0 H GLU A 76 -6.485 0.041 14.811 1.00 4.02 H new ATOM 0 HA GLU A 76 -5.461 -0.716 17.489 1.00 64.12 H new ATOM 0 HB2 GLU A 76 -4.668 -1.684 14.699 1.00 3.12 H new ATOM 0 HB3 GLU A 76 -3.949 -2.239 16.198 1.00 3.12 H new ATOM 0 HG2 GLU A 76 -6.268 -3.046 16.909 1.00 1.45 H new ATOM 0 HG3 GLU A 76 -6.833 -2.655 15.297 1.00 1.45 H new ATOM 1204 N GLY A 77 -4.401 1.753 16.040 1.00 45.22 N ATOM 1205 CA GLY A 77 -3.417 2.849 16.109 1.00 52.01 C ATOM 1206 C GLY A 77 -2.236 2.692 15.149 1.00 20.42 C ATOM 1207 O GLY A 77 -1.096 3.033 15.485 1.00 70.44 O ATOM 0 H GLY A 77 -5.327 2.046 15.728 1.00 45.22 H new ATOM 0 HA2 GLY A 77 -3.923 3.790 15.894 1.00 52.01 H new ATOM 0 HA3 GLY A 77 -3.036 2.917 17.128 1.00 52.01 H new ATOM 1211 N VAL A 78 -2.526 2.147 13.964 1.00 30.10 N ATOM 1212 CA VAL A 78 -1.564 2.011 12.858 1.00 15.02 C ATOM 1213 C VAL A 78 -1.847 3.122 11.845 1.00 21.13 C ATOM 1214 O VAL A 78 -2.981 3.222 11.351 1.00 52.33 O ATOM 1215 CB VAL A 78 -1.700 0.602 12.160 1.00 2.20 C ATOM 1216 CG1 VAL A 78 -0.688 0.419 11.002 1.00 72.31 C ATOM 1217 CG2 VAL A 78 -1.572 -0.528 13.200 1.00 41.32 C ATOM 0 H VAL A 78 -3.451 1.781 13.739 1.00 30.10 H new ATOM 0 HA VAL A 78 -0.549 2.092 13.246 1.00 15.02 H new ATOM 0 HB VAL A 78 -2.693 0.552 11.714 1.00 2.20 H new ATOM 0 HG11 VAL A 78 -0.822 -0.566 10.554 1.00 72.31 H new ATOM 0 HG12 VAL A 78 -0.856 1.187 10.247 1.00 72.31 H new ATOM 0 HG13 VAL A 78 0.327 0.507 11.389 1.00 72.31 H new ATOM 0 HG21 VAL A 78 -1.668 -1.493 12.702 1.00 41.32 H new ATOM 0 HG22 VAL A 78 -0.599 -0.466 13.687 1.00 41.32 H new ATOM 0 HG23 VAL A 78 -2.359 -0.425 13.948 1.00 41.32 H new ATOM 1227 N SER A 79 -0.828 3.945 11.533 1.00 54.15 N ATOM 1228 CA SER A 79 -0.991 5.103 10.644 1.00 60.14 C ATOM 1229 C SER A 79 -0.965 4.628 9.176 1.00 43.24 C ATOM 1230 O SER A 79 -0.312 3.625 8.859 1.00 24.52 O ATOM 1231 CB SER A 79 0.127 6.137 10.903 1.00 2.35 C ATOM 1232 OG SER A 79 0.186 6.500 12.276 1.00 53.14 O ATOM 0 H SER A 79 0.121 3.825 11.888 1.00 54.15 H new ATOM 0 HA SER A 79 -1.949 5.583 10.845 1.00 60.14 H new ATOM 0 HB2 SER A 79 1.087 5.724 10.592 1.00 2.35 H new ATOM 0 HB3 SER A 79 -0.049 7.026 10.297 1.00 2.35 H new ATOM 0 HG SER A 79 0.903 7.154 12.411 1.00 53.14 H new ATOM 1238 N TYR A 80 -1.688 5.339 8.297 1.00 63.31 N ATOM 1239 CA TYR A 80 -1.759 5.021 6.866 1.00 72.31 C ATOM 1240 C TYR A 80 -2.229 6.256 6.070 1.00 31.51 C ATOM 1241 O TYR A 80 -3.019 7.063 6.578 1.00 23.43 O ATOM 1242 CB TYR A 80 -2.707 3.799 6.613 1.00 34.44 C ATOM 1243 CG TYR A 80 -4.170 4.016 7.048 1.00 62.13 C ATOM 1244 CD1 TYR A 80 -4.569 3.840 8.380 1.00 3.41 C ATOM 1245 CD2 TYR A 80 -5.156 4.411 6.131 1.00 64.34 C ATOM 1246 CE1 TYR A 80 -5.878 4.040 8.770 1.00 63.05 C ATOM 1247 CE2 TYR A 80 -6.463 4.610 6.526 1.00 12.12 C ATOM 1248 CZ TYR A 80 -6.815 4.427 7.843 1.00 72.04 C ATOM 1249 OH TYR A 80 -8.120 4.628 8.234 1.00 33.53 O ATOM 0 H TYR A 80 -2.241 6.154 8.562 1.00 63.31 H new ATOM 0 HA TYR A 80 -0.762 4.746 6.521 1.00 72.31 H new ATOM 0 HB2 TYR A 80 -2.690 3.558 5.550 1.00 34.44 H new ATOM 0 HB3 TYR A 80 -2.310 2.933 7.142 1.00 34.44 H new ATOM 0 HD1 TYR A 80 -3.837 3.542 9.116 1.00 3.41 H new ATOM 0 HD2 TYR A 80 -4.887 4.562 5.096 1.00 64.34 H new ATOM 0 HE1 TYR A 80 -6.165 3.893 9.801 1.00 63.05 H new ATOM 0 HE2 TYR A 80 -7.208 4.909 5.803 1.00 12.12 H new ATOM 0 HH TYR A 80 -8.656 4.899 7.459 1.00 33.53 H new ATOM 1259 N ASP A 81 -1.724 6.391 4.830 1.00 51.40 N ATOM 1260 CA ASP A 81 -2.175 7.395 3.844 1.00 74.05 C ATOM 1261 C ASP A 81 -2.750 6.661 2.631 1.00 73.43 C ATOM 1262 O ASP A 81 -2.069 5.833 2.014 1.00 25.12 O ATOM 1263 CB ASP A 81 -1.011 8.345 3.408 1.00 2.01 C ATOM 1264 CG ASP A 81 -0.800 9.526 4.376 1.00 65.34 C ATOM 1265 OD1 ASP A 81 -1.739 10.334 4.543 1.00 32.01 O ATOM 1266 OD2 ASP A 81 0.302 9.674 4.948 1.00 55.22 O ATOM 0 H ASP A 81 -0.976 5.794 4.477 1.00 51.40 H new ATOM 0 HA ASP A 81 -2.940 8.022 4.303 1.00 74.05 H new ATOM 0 HB2 ASP A 81 -0.087 7.770 3.339 1.00 2.01 H new ATOM 0 HB3 ASP A 81 -1.221 8.733 2.411 1.00 2.01 H new ATOM 1271 N VAL A 82 -4.015 6.963 2.314 1.00 41.21 N ATOM 1272 CA VAL A 82 -4.746 6.361 1.197 1.00 43.45 C ATOM 1273 C VAL A 82 -4.479 7.175 -0.085 1.00 63.15 C ATOM 1274 O VAL A 82 -4.915 8.325 -0.213 1.00 54.12 O ATOM 1275 CB VAL A 82 -6.298 6.292 1.507 1.00 3.42 C ATOM 1276 CG1 VAL A 82 -7.092 5.681 0.329 1.00 73.23 C ATOM 1277 CG2 VAL A 82 -6.562 5.511 2.819 1.00 14.24 C ATOM 0 H VAL A 82 -4.567 7.644 2.836 1.00 41.21 H new ATOM 0 HA VAL A 82 -4.395 5.339 1.052 1.00 43.45 H new ATOM 0 HB VAL A 82 -6.652 7.315 1.639 1.00 3.42 H new ATOM 0 HG11 VAL A 82 -8.152 5.651 0.581 1.00 73.23 H new ATOM 0 HG12 VAL A 82 -6.948 6.292 -0.562 1.00 73.23 H new ATOM 0 HG13 VAL A 82 -6.736 4.669 0.137 1.00 73.23 H new ATOM 0 HG21 VAL A 82 -7.634 5.476 3.012 1.00 14.24 H new ATOM 0 HG22 VAL A 82 -6.178 4.496 2.722 1.00 14.24 H new ATOM 0 HG23 VAL A 82 -6.060 6.011 3.647 1.00 14.24 H new ATOM 1287 N LEU A 83 -3.720 6.567 -0.998 1.00 43.11 N ATOM 1288 CA LEU A 83 -3.384 7.131 -2.312 1.00 22.52 C ATOM 1289 C LEU A 83 -4.249 6.431 -3.372 1.00 41.13 C ATOM 1290 O LEU A 83 -4.138 5.229 -3.542 1.00 24.12 O ATOM 1291 CB LEU A 83 -1.871 6.901 -2.606 1.00 4.53 C ATOM 1292 CG LEU A 83 -1.350 7.374 -4.006 1.00 15.22 C ATOM 1293 CD1 LEU A 83 -1.408 8.910 -4.162 1.00 4.41 C ATOM 1294 CD2 LEU A 83 0.069 6.826 -4.283 1.00 14.34 C ATOM 0 H LEU A 83 -3.310 5.646 -0.843 1.00 43.11 H new ATOM 0 HA LEU A 83 -3.579 8.203 -2.330 1.00 22.52 H new ATOM 0 HB2 LEU A 83 -1.293 7.412 -1.836 1.00 4.53 H new ATOM 0 HB3 LEU A 83 -1.662 5.836 -2.507 1.00 4.53 H new ATOM 0 HG LEU A 83 -2.022 6.960 -4.758 1.00 15.22 H new ATOM 0 HD11 LEU A 83 -1.037 9.190 -5.148 1.00 4.41 H new ATOM 0 HD12 LEU A 83 -2.438 9.248 -4.053 1.00 4.41 H new ATOM 0 HD13 LEU A 83 -0.790 9.377 -3.396 1.00 4.41 H new ATOM 0 HD21 LEU A 83 0.407 7.169 -5.261 1.00 14.34 H new ATOM 0 HD22 LEU A 83 0.754 7.186 -3.515 1.00 14.34 H new ATOM 0 HD23 LEU A 83 0.048 5.736 -4.268 1.00 14.34 H new ATOM 1306 N LYS A 84 -5.136 7.172 -4.053 1.00 43.23 N ATOM 1307 CA LYS A 84 -6.027 6.616 -5.101 1.00 13.53 C ATOM 1308 C LYS A 84 -5.767 7.360 -6.414 1.00 10.04 C ATOM 1309 O LYS A 84 -6.279 8.467 -6.618 1.00 74.41 O ATOM 1310 CB LYS A 84 -7.521 6.733 -4.678 1.00 45.42 C ATOM 1311 CG LYS A 84 -7.868 6.006 -3.359 1.00 53.23 C ATOM 1312 CD LYS A 84 -9.371 6.051 -2.997 1.00 52.34 C ATOM 1313 CE LYS A 84 -9.919 7.480 -2.859 1.00 53.22 C ATOM 1314 NZ LYS A 84 -9.136 8.309 -1.899 1.00 43.50 N ATOM 0 H LYS A 84 -5.261 8.172 -3.899 1.00 43.23 H new ATOM 0 HA LYS A 84 -5.813 5.556 -5.238 1.00 13.53 H new ATOM 0 HB2 LYS A 84 -7.776 7.788 -4.576 1.00 45.42 H new ATOM 0 HB3 LYS A 84 -8.145 6.330 -5.476 1.00 45.42 H new ATOM 0 HG2 LYS A 84 -7.553 4.965 -3.435 1.00 53.23 H new ATOM 0 HG3 LYS A 84 -7.295 6.453 -2.547 1.00 53.23 H new ATOM 0 HD2 LYS A 84 -9.939 5.524 -3.764 1.00 52.34 H new ATOM 0 HD3 LYS A 84 -9.528 5.517 -2.060 1.00 52.34 H new ATOM 0 HE2 LYS A 84 -9.914 7.962 -3.837 1.00 53.22 H new ATOM 0 HE3 LYS A 84 -10.957 7.436 -2.531 1.00 53.22 H new ATOM 0 HZ1 LYS A 84 -9.589 9.239 -1.794 1.00 43.50 H new ATOM 0 HZ2 LYS A 84 -9.104 7.833 -0.975 1.00 43.50 H new ATOM 0 HZ3 LYS A 84 -8.168 8.434 -2.257 1.00 43.50 H new ATOM 1328 N SER A 85 -4.947 6.759 -7.287 1.00 62.04 N ATOM 1329 CA SER A 85 -4.521 7.383 -8.554 1.00 43.15 C ATOM 1330 C SER A 85 -4.421 6.335 -9.669 1.00 41.12 C ATOM 1331 O SER A 85 -3.964 5.210 -9.440 1.00 12.11 O ATOM 1332 CB SER A 85 -3.150 8.086 -8.375 1.00 65.12 C ATOM 1333 OG SER A 85 -3.171 9.033 -7.318 1.00 35.04 O ATOM 0 H SER A 85 -4.559 5.828 -7.138 1.00 62.04 H new ATOM 0 HA SER A 85 -5.270 8.124 -8.834 1.00 43.15 H new ATOM 0 HB2 SER A 85 -2.382 7.338 -8.176 1.00 65.12 H new ATOM 0 HB3 SER A 85 -2.875 8.586 -9.304 1.00 65.12 H new ATOM 0 HG SER A 85 -2.592 9.790 -7.546 1.00 35.04 H new ATOM 1339 N THR A 86 -4.835 6.728 -10.878 1.00 32.14 N ATOM 1340 CA THR A 86 -4.607 5.970 -12.111 1.00 1.12 C ATOM 1341 C THR A 86 -3.554 6.737 -12.917 1.00 61.23 C ATOM 1342 O THR A 86 -3.887 7.537 -13.802 1.00 45.54 O ATOM 1343 CB THR A 86 -5.935 5.788 -12.937 1.00 40.14 C ATOM 1344 OG1 THR A 86 -6.757 6.961 -12.807 1.00 73.41 O ATOM 1345 CG2 THR A 86 -6.736 4.553 -12.509 1.00 72.01 C ATOM 0 H THR A 86 -5.347 7.597 -11.029 1.00 32.14 H new ATOM 0 HA THR A 86 -4.259 4.964 -11.878 1.00 1.12 H new ATOM 0 HB THR A 86 -5.644 5.642 -13.977 1.00 40.14 H new ATOM 0 HG1 THR A 86 -7.581 6.842 -13.324 1.00 73.41 H new ATOM 0 HG21 THR A 86 -7.641 4.479 -13.113 1.00 72.01 H new ATOM 0 HG22 THR A 86 -6.130 3.659 -12.652 1.00 72.01 H new ATOM 0 HG23 THR A 86 -7.008 4.642 -11.457 1.00 72.01 H new ATOM 1353 N ASP A 87 -2.276 6.514 -12.567 1.00 32.35 N ATOM 1354 CA ASP A 87 -1.149 7.257 -13.135 1.00 71.01 C ATOM 1355 C ASP A 87 0.142 6.481 -12.805 1.00 61.23 C ATOM 1356 O ASP A 87 0.592 6.505 -11.657 1.00 33.22 O ATOM 1357 CB ASP A 87 -1.093 8.710 -12.566 1.00 71.52 C ATOM 1358 CG ASP A 87 -0.192 9.641 -13.402 1.00 10.55 C ATOM 1359 OD1 ASP A 87 1.045 9.482 -13.370 1.00 22.20 O ATOM 1360 OD2 ASP A 87 -0.719 10.541 -14.102 1.00 74.42 O ATOM 0 H ASP A 87 -2.000 5.812 -11.881 1.00 32.35 H new ATOM 0 HA ASP A 87 -1.265 7.346 -14.215 1.00 71.01 H new ATOM 0 HB2 ASP A 87 -2.102 9.122 -12.532 1.00 71.52 H new ATOM 0 HB3 ASP A 87 -0.726 8.680 -11.540 1.00 71.52 H new ATOM 1365 N PRO A 88 0.743 5.758 -13.799 1.00 73.10 N ATOM 1366 CA PRO A 88 1.877 4.823 -13.553 1.00 43.32 C ATOM 1367 C PRO A 88 3.144 5.502 -12.986 1.00 73.12 C ATOM 1368 O PRO A 88 3.826 4.927 -12.132 1.00 75.42 O ATOM 1369 CB PRO A 88 2.135 4.203 -14.951 1.00 40.31 C ATOM 1370 CG PRO A 88 1.566 5.188 -15.924 1.00 22.41 C ATOM 1371 CD PRO A 88 0.360 5.781 -15.237 1.00 61.01 C ATOM 0 HA PRO A 88 1.630 4.090 -12.785 1.00 43.32 H new ATOM 0 HB2 PRO A 88 3.200 4.048 -15.123 1.00 40.31 H new ATOM 0 HB3 PRO A 88 1.652 3.230 -15.046 1.00 40.31 H new ATOM 0 HG2 PRO A 88 2.295 5.959 -16.173 1.00 22.41 H new ATOM 0 HG3 PRO A 88 1.286 4.700 -16.858 1.00 22.41 H new ATOM 0 HD2 PRO A 88 0.157 6.794 -15.584 1.00 61.01 H new ATOM 0 HD3 PRO A 88 -0.539 5.194 -15.424 1.00 61.01 H new ATOM 1379 N GLU A 89 3.424 6.740 -13.426 1.00 61.33 N ATOM 1380 CA GLU A 89 4.670 7.438 -13.049 1.00 33.40 C ATOM 1381 C GLU A 89 4.512 8.120 -11.677 1.00 5.14 C ATOM 1382 O GLU A 89 5.486 8.232 -10.918 1.00 53.41 O ATOM 1383 CB GLU A 89 5.102 8.448 -14.146 1.00 20.31 C ATOM 1384 CG GLU A 89 4.118 9.606 -14.403 1.00 63.45 C ATOM 1385 CD GLU A 89 4.626 10.624 -15.438 1.00 64.33 C ATOM 1386 OE1 GLU A 89 4.943 10.218 -16.579 1.00 53.24 O ATOM 1387 OE2 GLU A 89 4.683 11.835 -15.124 1.00 24.42 O ATOM 0 H GLU A 89 2.811 7.277 -14.039 1.00 61.33 H new ATOM 0 HA GLU A 89 5.466 6.698 -12.964 1.00 33.40 H new ATOM 0 HB2 GLU A 89 6.068 8.870 -13.868 1.00 20.31 H new ATOM 0 HB3 GLU A 89 5.248 7.904 -15.079 1.00 20.31 H new ATOM 0 HG2 GLU A 89 3.168 9.196 -14.745 1.00 63.45 H new ATOM 0 HG3 GLU A 89 3.923 10.122 -13.463 1.00 63.45 H new ATOM 1394 N GLU A 90 3.267 8.556 -11.362 1.00 20.00 N ATOM 1395 CA GLU A 90 2.950 9.175 -10.068 1.00 31.14 C ATOM 1396 C GLU A 90 2.944 8.124 -8.950 1.00 52.02 C ATOM 1397 O GLU A 90 3.556 8.341 -7.908 1.00 34.10 O ATOM 1398 CB GLU A 90 1.600 9.925 -10.088 1.00 11.41 C ATOM 1399 CG GLU A 90 1.234 10.568 -8.730 1.00 13.32 C ATOM 1400 CD GLU A 90 -0.095 11.323 -8.729 1.00 10.54 C ATOM 1401 OE1 GLU A 90 -1.127 10.716 -9.068 1.00 53.54 O ATOM 1402 OE2 GLU A 90 -0.122 12.516 -8.345 1.00 22.31 O ATOM 0 H GLU A 90 2.470 8.486 -11.994 1.00 20.00 H new ATOM 0 HA GLU A 90 3.732 9.908 -9.873 1.00 31.14 H new ATOM 0 HB2 GLU A 90 1.636 10.702 -10.852 1.00 11.41 H new ATOM 0 HB3 GLU A 90 0.811 9.230 -10.377 1.00 11.41 H new ATOM 0 HG2 GLU A 90 1.195 9.787 -7.970 1.00 13.32 H new ATOM 0 HG3 GLU A 90 2.029 11.255 -8.441 1.00 13.32 H new ATOM 1409 N LEU A 91 2.287 6.973 -9.190 1.00 63.35 N ATOM 1410 CA LEU A 91 2.203 5.889 -8.183 1.00 72.31 C ATOM 1411 C LEU A 91 3.621 5.426 -7.780 1.00 54.22 C ATOM 1412 O LEU A 91 3.870 5.122 -6.622 1.00 10.25 O ATOM 1413 CB LEU A 91 1.347 4.691 -8.696 1.00 31.41 C ATOM 1414 CG LEU A 91 -0.189 4.944 -8.865 1.00 13.10 C ATOM 1415 CD1 LEU A 91 -0.901 3.690 -9.421 1.00 40.33 C ATOM 1416 CD2 LEU A 91 -0.835 5.394 -7.541 1.00 62.10 C ATOM 0 H LEU A 91 1.808 6.767 -10.067 1.00 63.35 H new ATOM 0 HA LEU A 91 1.701 6.286 -7.301 1.00 72.31 H new ATOM 0 HB2 LEU A 91 1.747 4.375 -9.659 1.00 31.41 H new ATOM 0 HB3 LEU A 91 1.480 3.858 -8.006 1.00 31.41 H new ATOM 0 HG LEU A 91 -0.309 5.752 -9.586 1.00 13.10 H new ATOM 0 HD11 LEU A 91 -1.966 3.894 -9.528 1.00 40.33 H new ATOM 0 HD12 LEU A 91 -0.481 3.434 -10.394 1.00 40.33 H new ATOM 0 HD13 LEU A 91 -0.759 2.856 -8.734 1.00 40.33 H new ATOM 0 HD21 LEU A 91 -1.901 5.561 -7.695 1.00 62.10 H new ATOM 0 HD22 LEU A 91 -0.694 4.621 -6.786 1.00 62.10 H new ATOM 0 HD23 LEU A 91 -0.368 6.319 -7.204 1.00 62.10 H new ATOM 1428 N THR A 92 4.547 5.450 -8.764 1.00 61.53 N ATOM 1429 CA THR A 92 5.971 5.120 -8.564 1.00 1.00 C ATOM 1430 C THR A 92 6.695 6.202 -7.721 1.00 30.33 C ATOM 1431 O THR A 92 7.436 5.875 -6.769 1.00 35.43 O ATOM 1432 CB THR A 92 6.679 4.955 -9.954 1.00 24.04 C ATOM 1433 OG1 THR A 92 6.001 3.950 -10.730 1.00 74.44 O ATOM 1434 CG2 THR A 92 8.159 4.568 -9.823 1.00 62.22 C ATOM 0 H THR A 92 4.323 5.701 -9.727 1.00 61.53 H new ATOM 0 HA THR A 92 6.025 4.181 -8.014 1.00 1.00 H new ATOM 0 HB THR A 92 6.631 5.924 -10.450 1.00 24.04 H new ATOM 0 HG1 THR A 92 5.215 4.345 -11.162 1.00 74.44 H new ATOM 0 HG21 THR A 92 8.598 4.467 -10.816 1.00 62.22 H new ATOM 0 HG22 THR A 92 8.690 5.342 -9.268 1.00 62.22 H new ATOM 0 HG23 THR A 92 8.241 3.620 -9.292 1.00 62.22 H new ATOM 1442 N GLN A 93 6.451 7.488 -8.062 1.00 72.23 N ATOM 1443 CA GLN A 93 7.160 8.617 -7.433 1.00 63.20 C ATOM 1444 C GLN A 93 6.741 8.771 -5.960 1.00 33.22 C ATOM 1445 O GLN A 93 7.561 9.130 -5.123 1.00 62.11 O ATOM 1446 CB GLN A 93 6.949 9.958 -8.213 1.00 11.33 C ATOM 1447 CG GLN A 93 5.621 10.694 -7.933 1.00 64.31 C ATOM 1448 CD GLN A 93 5.489 12.037 -8.653 1.00 20.32 C ATOM 1449 OE1 GLN A 93 4.985 12.115 -9.776 1.00 21.42 O ATOM 1450 NE2 GLN A 93 5.938 13.105 -8.007 1.00 63.23 N ATOM 0 H GLN A 93 5.769 7.765 -8.768 1.00 72.23 H new ATOM 0 HA GLN A 93 8.225 8.388 -7.472 1.00 63.20 H new ATOM 0 HB2 GLN A 93 7.773 10.630 -7.973 1.00 11.33 H new ATOM 0 HB3 GLN A 93 7.009 9.749 -9.281 1.00 11.33 H new ATOM 0 HG2 GLN A 93 4.792 10.051 -8.230 1.00 64.31 H new ATOM 0 HG3 GLN A 93 5.528 10.858 -6.859 1.00 64.31 H new ATOM 0 HE21 GLN A 93 6.349 13.004 -7.079 1.00 63.23 H new ATOM 0 HE22 GLN A 93 5.872 14.027 -8.438 1.00 63.23 H new ATOM 1459 N ARG A 94 5.456 8.454 -5.660 1.00 65.43 N ATOM 1460 CA ARG A 94 4.897 8.583 -4.303 1.00 35.22 C ATOM 1461 C ARG A 94 5.506 7.527 -3.373 1.00 34.01 C ATOM 1462 O ARG A 94 5.760 7.809 -2.202 1.00 4.31 O ATOM 1463 CB ARG A 94 3.349 8.481 -4.310 1.00 3.12 C ATOM 1464 CG ARG A 94 2.625 9.542 -5.175 1.00 33.12 C ATOM 1465 CD ARG A 94 2.977 10.994 -4.814 1.00 11.44 C ATOM 1466 NE ARG A 94 2.324 11.954 -5.722 1.00 21.13 N ATOM 1467 CZ ARG A 94 2.834 13.136 -6.103 1.00 53.44 C ATOM 1468 NH1 ARG A 94 4.031 13.541 -5.674 1.00 32.23 N ATOM 1469 NH2 ARG A 94 2.138 13.907 -6.927 1.00 62.21 N ATOM 0 H ARG A 94 4.789 8.106 -6.349 1.00 65.43 H new ATOM 0 HA ARG A 94 5.157 9.573 -3.928 1.00 35.22 H new ATOM 0 HB2 ARG A 94 3.067 7.490 -4.667 1.00 3.12 H new ATOM 0 HB3 ARG A 94 2.990 8.565 -3.284 1.00 3.12 H new ATOM 0 HG2 ARG A 94 2.871 9.370 -6.223 1.00 33.12 H new ATOM 0 HG3 ARG A 94 1.548 9.405 -5.073 1.00 33.12 H new ATOM 0 HD2 ARG A 94 2.672 11.198 -3.788 1.00 11.44 H new ATOM 0 HD3 ARG A 94 4.058 11.128 -4.858 1.00 11.44 H new ATOM 0 HE ARG A 94 1.408 11.699 -6.092 1.00 21.13 H new ATOM 0 HH11 ARG A 94 4.575 12.949 -5.046 1.00 32.23 H new ATOM 0 HH12 ARG A 94 4.402 14.442 -5.974 1.00 32.23 H new ATOM 0 HH21 ARG A 94 1.226 13.600 -7.264 1.00 62.21 H new ATOM 0 HH22 ARG A 94 2.515 14.807 -7.224 1.00 62.21 H new ATOM 1483 N VAL A 95 5.752 6.321 -3.929 1.00 64.31 N ATOM 1484 CA VAL A 95 6.431 5.223 -3.215 1.00 32.33 C ATOM 1485 C VAL A 95 7.850 5.654 -2.801 1.00 63.51 C ATOM 1486 O VAL A 95 8.169 5.654 -1.611 1.00 60.54 O ATOM 1487 CB VAL A 95 6.486 3.907 -4.101 1.00 13.20 C ATOM 1488 CG1 VAL A 95 7.375 2.799 -3.475 1.00 12.02 C ATOM 1489 CG2 VAL A 95 5.058 3.379 -4.368 1.00 14.31 C ATOM 0 H VAL A 95 5.485 6.084 -4.884 1.00 64.31 H new ATOM 0 HA VAL A 95 5.855 4.996 -2.318 1.00 32.33 H new ATOM 0 HB VAL A 95 6.950 4.179 -5.049 1.00 13.20 H new ATOM 0 HG11 VAL A 95 7.375 1.923 -4.124 1.00 12.02 H new ATOM 0 HG12 VAL A 95 8.394 3.169 -3.365 1.00 12.02 H new ATOM 0 HG13 VAL A 95 6.980 2.526 -2.496 1.00 12.02 H new ATOM 0 HG21 VAL A 95 5.112 2.476 -4.977 1.00 14.31 H new ATOM 0 HG22 VAL A 95 4.572 3.149 -3.420 1.00 14.31 H new ATOM 0 HG23 VAL A 95 4.482 4.139 -4.896 1.00 14.31 H new ATOM 1499 N ARG A 96 8.669 6.081 -3.790 1.00 44.40 N ATOM 1500 CA ARG A 96 10.090 6.413 -3.542 1.00 12.31 C ATOM 1501 C ARG A 96 10.265 7.631 -2.612 1.00 20.03 C ATOM 1502 O ARG A 96 11.141 7.620 -1.753 1.00 25.25 O ATOM 1503 CB ARG A 96 10.878 6.627 -4.866 1.00 32.42 C ATOM 1504 CG ARG A 96 10.412 7.817 -5.728 1.00 34.44 C ATOM 1505 CD ARG A 96 11.250 8.003 -7.004 1.00 21.02 C ATOM 1506 NE ARG A 96 11.291 6.780 -7.826 1.00 23.32 N ATOM 1507 CZ ARG A 96 11.328 6.732 -9.168 1.00 12.34 C ATOM 1508 NH1 ARG A 96 11.315 7.845 -9.910 1.00 2.45 N ATOM 1509 NH2 ARG A 96 11.391 5.549 -9.770 1.00 43.42 N ATOM 0 H ARG A 96 8.373 6.203 -4.759 1.00 44.40 H new ATOM 0 HA ARG A 96 10.509 5.547 -3.030 1.00 12.31 H new ATOM 0 HB2 ARG A 96 11.931 6.767 -4.623 1.00 32.42 H new ATOM 0 HB3 ARG A 96 10.806 5.718 -5.463 1.00 32.42 H new ATOM 0 HG2 ARG A 96 9.368 7.671 -6.004 1.00 34.44 H new ATOM 0 HG3 ARG A 96 10.459 8.729 -5.133 1.00 34.44 H new ATOM 0 HD2 ARG A 96 10.835 8.821 -7.593 1.00 21.02 H new ATOM 0 HD3 ARG A 96 12.266 8.290 -6.731 1.00 21.02 H new ATOM 0 HE ARG A 96 11.291 5.889 -7.330 1.00 23.32 H new ATOM 0 HH11 ARG A 96 11.276 8.759 -9.458 1.00 2.45 H new ATOM 0 HH12 ARG A 96 11.344 7.780 -10.928 1.00 2.45 H new ATOM 0 HH21 ARG A 96 11.411 4.694 -9.214 1.00 43.42 H new ATOM 0 HH22 ARG A 96 11.420 5.496 -10.788 1.00 43.42 H new ATOM 1523 N GLU A 97 9.417 8.678 -2.778 1.00 31.15 N ATOM 1524 CA GLU A 97 9.528 9.919 -1.974 1.00 44.22 C ATOM 1525 C GLU A 97 9.066 9.680 -0.529 1.00 3.22 C ATOM 1526 O GLU A 97 9.594 10.294 0.397 1.00 23.43 O ATOM 1527 CB GLU A 97 8.763 11.104 -2.628 1.00 34.31 C ATOM 1528 CG GLU A 97 7.220 11.003 -2.613 1.00 72.34 C ATOM 1529 CD GLU A 97 6.537 12.121 -3.422 1.00 61.23 C ATOM 1530 OE1 GLU A 97 6.325 11.952 -4.645 1.00 61.51 O ATOM 1531 OE2 GLU A 97 6.232 13.182 -2.845 1.00 75.13 O ATOM 0 H GLU A 97 8.655 8.687 -3.456 1.00 31.15 H new ATOM 0 HA GLU A 97 10.581 10.199 -1.947 1.00 44.22 H new ATOM 0 HB2 GLU A 97 9.052 12.023 -2.119 1.00 34.31 H new ATOM 0 HB3 GLU A 97 9.092 11.196 -3.663 1.00 34.31 H new ATOM 0 HG2 GLU A 97 6.921 10.035 -3.016 1.00 72.34 H new ATOM 0 HG3 GLU A 97 6.869 11.041 -1.582 1.00 72.34 H new ATOM 1538 N PHE A 98 8.089 8.765 -0.352 1.00 34.04 N ATOM 1539 CA PHE A 98 7.660 8.273 0.974 1.00 70.44 C ATOM 1540 C PHE A 98 8.806 7.497 1.657 1.00 55.34 C ATOM 1541 O PHE A 98 9.018 7.608 2.871 1.00 15.35 O ATOM 1542 CB PHE A 98 6.414 7.370 0.779 1.00 3.32 C ATOM 1543 CG PHE A 98 5.789 6.800 2.045 1.00 44.25 C ATOM 1544 CD1 PHE A 98 5.095 7.627 2.928 1.00 3.30 C ATOM 1545 CD2 PHE A 98 5.867 5.438 2.341 1.00 10.44 C ATOM 1546 CE1 PHE A 98 4.503 7.108 4.060 1.00 12.14 C ATOM 1547 CE2 PHE A 98 5.278 4.929 3.474 1.00 30.12 C ATOM 1548 CZ PHE A 98 4.596 5.760 4.335 1.00 13.42 C ATOM 0 H PHE A 98 7.575 8.346 -1.127 1.00 34.04 H new ATOM 0 HA PHE A 98 7.404 9.112 1.621 1.00 70.44 H new ATOM 0 HB2 PHE A 98 5.654 7.946 0.251 1.00 3.32 H new ATOM 0 HB3 PHE A 98 6.692 6.539 0.131 1.00 3.32 H new ATOM 0 HD1 PHE A 98 5.021 8.685 2.723 1.00 3.30 H new ATOM 0 HD2 PHE A 98 6.397 4.776 1.672 1.00 10.44 H new ATOM 0 HE1 PHE A 98 3.965 7.759 4.733 1.00 12.14 H new ATOM 0 HE2 PHE A 98 5.350 3.873 3.690 1.00 30.12 H new ATOM 0 HZ PHE A 98 4.135 5.356 5.224 1.00 13.42 H new ATOM 1558 N LEU A 99 9.556 6.735 0.841 1.00 2.11 N ATOM 1559 CA LEU A 99 10.715 5.954 1.307 1.00 34.10 C ATOM 1560 C LEU A 99 11.978 6.832 1.456 1.00 21.14 C ATOM 1561 O LEU A 99 12.980 6.367 1.992 1.00 71.25 O ATOM 1562 CB LEU A 99 10.984 4.747 0.360 1.00 3.23 C ATOM 1563 CG LEU A 99 9.834 3.692 0.251 1.00 45.04 C ATOM 1564 CD1 LEU A 99 10.232 2.513 -0.670 1.00 30.14 C ATOM 1565 CD2 LEU A 99 9.383 3.201 1.645 1.00 0.22 C ATOM 0 H LEU A 99 9.376 6.644 -0.159 1.00 2.11 H new ATOM 0 HA LEU A 99 10.472 5.567 2.297 1.00 34.10 H new ATOM 0 HB2 LEU A 99 11.192 5.133 -0.638 1.00 3.23 H new ATOM 0 HB3 LEU A 99 11.886 4.238 0.700 1.00 3.23 H new ATOM 0 HG LEU A 99 8.979 4.187 -0.209 1.00 45.04 H new ATOM 0 HD11 LEU A 99 9.410 1.799 -0.723 1.00 30.14 H new ATOM 0 HD12 LEU A 99 10.450 2.890 -1.669 1.00 30.14 H new ATOM 0 HD13 LEU A 99 11.116 2.019 -0.267 1.00 30.14 H new ATOM 0 HD21 LEU A 99 8.583 2.469 1.532 1.00 0.22 H new ATOM 0 HD22 LEU A 99 10.227 2.740 2.159 1.00 0.22 H new ATOM 0 HD23 LEU A 99 9.021 4.047 2.229 1.00 0.22 H new ATOM 1577 N LYS A 100 11.943 8.075 0.933 1.00 14.21 N ATOM 1578 CA LYS A 100 12.993 9.077 1.199 1.00 52.42 C ATOM 1579 C LYS A 100 12.707 9.820 2.516 1.00 23.53 C ATOM 1580 O LYS A 100 13.611 9.999 3.339 1.00 31.23 O ATOM 1581 CB LYS A 100 13.133 10.103 0.026 1.00 34.25 C ATOM 1582 CG LYS A 100 13.734 9.524 -1.282 1.00 34.52 C ATOM 1583 CD LYS A 100 14.142 10.621 -2.303 1.00 0.51 C ATOM 1584 CE LYS A 100 12.953 11.448 -2.831 1.00 23.02 C ATOM 1585 NZ LYS A 100 13.409 12.582 -3.692 1.00 52.52 N ATOM 0 H LYS A 100 11.197 8.408 0.323 1.00 14.21 H new ATOM 0 HA LYS A 100 13.938 8.540 1.286 1.00 52.42 H new ATOM 0 HB2 LYS A 100 12.149 10.516 -0.195 1.00 34.25 H new ATOM 0 HB3 LYS A 100 13.758 10.931 0.360 1.00 34.25 H new ATOM 0 HG2 LYS A 100 14.608 8.921 -1.037 1.00 34.52 H new ATOM 0 HG3 LYS A 100 13.006 8.858 -1.745 1.00 34.52 H new ATOM 0 HD2 LYS A 100 14.861 11.293 -1.834 1.00 0.51 H new ATOM 0 HD3 LYS A 100 14.649 10.151 -3.146 1.00 0.51 H new ATOM 0 HE2 LYS A 100 12.286 10.803 -3.402 1.00 23.02 H new ATOM 0 HE3 LYS A 100 12.378 11.837 -1.991 1.00 23.02 H new ATOM 0 HZ1 LYS A 100 12.583 13.116 -4.029 1.00 52.52 H new ATOM 0 HZ2 LYS A 100 14.026 13.211 -3.140 1.00 52.52 H new ATOM 0 HZ3 LYS A 100 13.936 12.209 -4.507 1.00 52.52 H new ATOM 1599 N THR A 101 11.437 10.221 2.725 1.00 42.14 N ATOM 1600 CA THR A 101 11.043 11.105 3.838 1.00 13.24 C ATOM 1601 C THR A 101 10.911 10.290 5.142 1.00 34.40 C ATOM 1602 O THR A 101 11.651 10.508 6.110 1.00 74.21 O ATOM 1603 CB THR A 101 9.682 11.830 3.510 1.00 64.24 C ATOM 1604 OG1 THR A 101 8.686 10.859 3.135 1.00 12.04 O ATOM 1605 CG2 THR A 101 9.825 12.861 2.371 1.00 22.41 C ATOM 0 H THR A 101 10.658 9.942 2.128 1.00 42.14 H new ATOM 0 HA THR A 101 11.816 11.862 3.972 1.00 13.24 H new ATOM 0 HB THR A 101 9.380 12.362 4.412 1.00 64.24 H new ATOM 0 HG1 THR A 101 8.802 10.619 2.192 1.00 12.04 H new ATOM 0 HG21 THR A 101 8.860 13.332 2.184 1.00 22.41 H new ATOM 0 HG22 THR A 101 10.551 13.622 2.658 1.00 22.41 H new ATOM 0 HG23 THR A 101 10.165 12.358 1.466 1.00 22.41 H new ATOM 1613 N ALA A 102 9.975 9.326 5.120 1.00 72.42 N ATOM 1614 CA ALA A 102 9.656 8.472 6.269 1.00 73.02 C ATOM 1615 C ALA A 102 10.582 7.243 6.315 1.00 41.31 C ATOM 1616 O ALA A 102 10.883 6.727 7.394 1.00 54.53 O ATOM 1617 CB ALA A 102 8.178 8.038 6.176 1.00 42.50 C ATOM 0 H ALA A 102 9.415 9.118 4.293 1.00 72.42 H new ATOM 0 HA ALA A 102 9.813 9.034 7.189 1.00 73.02 H new ATOM 0 HB1 ALA A 102 7.931 7.402 7.026 1.00 42.50 H new ATOM 0 HB2 ALA A 102 7.538 8.921 6.185 1.00 42.50 H new ATOM 0 HB3 ALA A 102 8.019 7.484 5.251 1.00 42.50 H new ATOM 1623 N GLY A 103 10.999 6.769 5.117 1.00 53.21 N ATOM 1624 CA GLY A 103 11.826 5.562 4.995 1.00 42.42 C ATOM 1625 C GLY A 103 13.262 5.789 5.410 1.00 54.52 C ATOM 1626 O GLY A 103 13.705 5.297 6.455 1.00 21.53 O ATOM 0 H GLY A 103 10.772 7.210 4.226 1.00 53.21 H new ATOM 0 HA2 GLY A 103 11.397 4.770 5.608 1.00 42.42 H new ATOM 0 HA3 GLY A 103 11.802 5.214 3.962 1.00 42.42 H new ATOM 1630 N SER A 104 13.976 6.570 4.599 1.00 43.41 N ATOM 1631 CA SER A 104 15.396 6.841 4.778 1.00 20.12 C ATOM 1632 C SER A 104 15.545 8.082 5.672 1.00 43.00 C ATOM 1633 O SER A 104 15.728 9.202 5.186 1.00 63.34 O ATOM 1634 CB SER A 104 16.055 7.022 3.381 1.00 23.12 C ATOM 1635 OG SER A 104 17.466 7.110 3.470 1.00 21.23 O ATOM 0 H SER A 104 13.574 7.038 3.787 1.00 43.41 H new ATOM 0 HA SER A 104 15.906 6.013 5.271 1.00 20.12 H new ATOM 0 HB2 SER A 104 15.783 6.183 2.740 1.00 23.12 H new ATOM 0 HB3 SER A 104 15.664 7.923 2.909 1.00 23.12 H new ATOM 0 HG SER A 104 17.868 6.751 2.652 1.00 21.23 H new ATOM 1641 N LEU A 105 15.377 7.864 6.994 1.00 72.52 N ATOM 1642 CA LEU A 105 15.455 8.927 8.010 1.00 11.23 C ATOM 1643 C LEU A 105 16.867 9.528 8.062 1.00 63.24 C ATOM 1644 O LEU A 105 17.853 8.779 8.154 1.00 74.11 O ATOM 1645 CB LEU A 105 15.055 8.381 9.411 1.00 35.44 C ATOM 1646 CG LEU A 105 13.593 7.849 9.551 1.00 33.31 C ATOM 1647 CD1 LEU A 105 13.345 7.273 10.961 1.00 25.02 C ATOM 1648 CD2 LEU A 105 12.561 8.942 9.205 1.00 21.30 C ATOM 0 H LEU A 105 15.183 6.942 7.384 1.00 72.52 H new ATOM 0 HA LEU A 105 14.753 9.712 7.729 1.00 11.23 H new ATOM 0 HB2 LEU A 105 15.740 7.574 9.673 1.00 35.44 H new ATOM 0 HB3 LEU A 105 15.203 9.175 10.143 1.00 35.44 H new ATOM 0 HG LEU A 105 13.466 7.039 8.832 1.00 33.31 H new ATOM 0 HD11 LEU A 105 12.320 6.910 11.031 1.00 25.02 H new ATOM 0 HD12 LEU A 105 14.035 6.449 11.144 1.00 25.02 H new ATOM 0 HD13 LEU A 105 13.505 8.053 11.706 1.00 25.02 H new ATOM 0 HD21 LEU A 105 11.554 8.539 9.313 1.00 21.30 H new ATOM 0 HD22 LEU A 105 12.687 9.788 9.880 1.00 21.30 H new ATOM 0 HD23 LEU A 105 12.712 9.272 8.177 1.00 21.30 H new ATOM 1660 N GLU A 106 16.941 10.876 7.970 1.00 23.22 N ATOM 1661 CA GLU A 106 18.200 11.650 8.031 1.00 71.14 C ATOM 1662 C GLU A 106 19.098 11.383 6.800 1.00 72.23 C ATOM 1663 O GLU A 106 20.307 11.630 6.871 1.00 42.52 O ATOM 1664 CB GLU A 106 18.971 11.367 9.358 1.00 10.32 C ATOM 1665 CG GLU A 106 18.187 11.675 10.650 1.00 41.03 C ATOM 1666 CD GLU A 106 18.936 11.219 11.914 1.00 3.45 C ATOM 1667 OE1 GLU A 106 19.791 11.978 12.416 1.00 54.45 O ATOM 1668 OE2 GLU A 106 18.678 10.091 12.399 1.00 61.21 O ATOM 0 H GLU A 106 16.116 11.463 7.850 1.00 23.22 H new ATOM 0 HA GLU A 106 17.931 12.706 8.015 1.00 71.14 H new ATOM 0 HB2 GLU A 106 19.266 10.318 9.372 1.00 10.32 H new ATOM 0 HB3 GLU A 106 19.888 11.956 9.359 1.00 10.32 H new ATOM 0 HG2 GLU A 106 17.998 12.747 10.710 1.00 41.03 H new ATOM 0 HG3 GLU A 106 17.216 11.182 10.609 1.00 41.03 H new ATOM 1675 N HIS A 107 18.485 10.896 5.683 1.00 42.42 N ATOM 1676 CA HIS A 107 19.179 10.664 4.392 1.00 15.42 C ATOM 1677 C HIS A 107 19.918 11.940 3.971 1.00 22.54 C ATOM 1678 O HIS A 107 19.275 12.908 3.553 1.00 33.13 O ATOM 1679 CB HIS A 107 18.154 10.262 3.287 1.00 61.42 C ATOM 1680 CG HIS A 107 18.744 10.047 1.908 1.00 23.35 C ATOM 1681 ND1 HIS A 107 18.887 11.064 0.977 1.00 0.32 N ATOM 1682 CD2 HIS A 107 19.207 8.927 1.295 1.00 64.02 C ATOM 1683 CE1 HIS A 107 19.415 10.579 -0.129 1.00 4.41 C ATOM 1684 NE2 HIS A 107 19.616 9.290 0.037 1.00 71.42 N ATOM 0 H HIS A 107 17.494 10.655 5.658 1.00 42.42 H new ATOM 0 HA HIS A 107 19.894 9.851 4.518 1.00 15.42 H new ATOM 0 HB2 HIS A 107 17.651 9.346 3.596 1.00 61.42 H new ATOM 0 HB3 HIS A 107 17.391 11.038 3.222 1.00 61.42 H new ATOM 0 HD2 HIS A 107 19.246 7.935 1.719 1.00 64.02 H new ATOM 0 HE1 HIS A 107 19.644 11.144 -1.020 1.00 4.41 H new ATOM 0 HE2 HIS A 107 20.013 8.660 -0.660 1.00 71.42 H new ATOM 1693 N HIS A 108 21.252 11.937 4.116 1.00 73.42 N ATOM 1694 CA HIS A 108 22.073 13.130 3.894 1.00 72.12 C ATOM 1695 C HIS A 108 21.976 13.582 2.431 1.00 61.13 C ATOM 1696 O HIS A 108 22.251 12.798 1.510 1.00 50.31 O ATOM 1697 CB HIS A 108 23.552 12.868 4.282 1.00 61.44 C ATOM 1698 CG HIS A 108 24.454 14.069 4.100 1.00 44.22 C ATOM 1699 ND1 HIS A 108 24.412 15.166 4.932 1.00 25.31 N ATOM 1700 CD2 HIS A 108 25.393 14.356 3.161 1.00 22.42 C ATOM 1701 CE1 HIS A 108 25.278 16.068 4.515 1.00 14.25 C ATOM 1702 NE2 HIS A 108 25.883 15.602 3.446 1.00 32.43 N ATOM 0 H HIS A 108 21.786 11.112 4.389 1.00 73.42 H new ATOM 0 HA HIS A 108 21.691 13.927 4.533 1.00 72.12 H new ATOM 0 HB2 HIS A 108 23.593 12.549 5.323 1.00 61.44 H new ATOM 0 HB3 HIS A 108 23.935 12.044 3.681 1.00 61.44 H new ATOM 0 HD2 HIS A 108 25.696 13.720 2.343 1.00 22.42 H new ATOM 0 HE1 HIS A 108 25.460 17.028 4.975 1.00 14.25 H new ATOM 0 HE2 HIS A 108 26.603 16.091 2.913 1.00 32.43 H new ATOM 1711 N HIS A 109 21.537 14.836 2.251 1.00 72.41 N ATOM 1712 CA HIS A 109 21.516 15.519 0.962 1.00 72.23 C ATOM 1713 C HIS A 109 22.976 15.774 0.524 1.00 43.43 C ATOM 1714 O HIS A 109 23.585 16.792 0.879 1.00 62.10 O ATOM 1715 CB HIS A 109 20.700 16.836 1.088 1.00 34.42 C ATOM 1716 CG HIS A 109 20.490 17.558 -0.211 1.00 0.42 C ATOM 1717 ND1 HIS A 109 21.393 18.459 -0.724 1.00 25.21 N ATOM 1718 CD2 HIS A 109 19.471 17.507 -1.101 1.00 51.32 C ATOM 1719 CE1 HIS A 109 20.942 18.931 -1.864 1.00 2.13 C ATOM 1720 NE2 HIS A 109 19.778 18.369 -2.117 1.00 60.23 N ATOM 0 H HIS A 109 21.181 15.410 3.016 1.00 72.41 H new ATOM 0 HA HIS A 109 21.030 14.910 0.200 1.00 72.23 H new ATOM 0 HB2 HIS A 109 19.728 16.607 1.525 1.00 34.42 H new ATOM 0 HB3 HIS A 109 21.212 17.502 1.782 1.00 34.42 H new ATOM 0 HD2 HIS A 109 18.582 16.899 -1.023 1.00 51.32 H new ATOM 0 HE1 HIS A 109 21.441 19.657 -2.488 1.00 2.13 H new ATOM 0 HE2 HIS A 109 19.199 18.548 -2.938 1.00 60.23 H new ATOM 1729 N HIS A 110 23.544 14.778 -0.173 1.00 3.34 N ATOM 1730 CA HIS A 110 24.965 14.756 -0.552 1.00 55.43 C ATOM 1731 C HIS A 110 25.203 15.547 -1.855 1.00 1.35 C ATOM 1732 O HIS A 110 25.140 15.004 -2.964 1.00 35.24 O ATOM 1733 CB HIS A 110 25.500 13.292 -0.635 1.00 43.02 C ATOM 1734 CG HIS A 110 24.723 12.356 -1.530 1.00 71.35 C ATOM 1735 ND1 HIS A 110 25.079 12.080 -2.834 1.00 62.44 N ATOM 1736 CD2 HIS A 110 23.626 11.597 -1.284 1.00 2.13 C ATOM 1737 CE1 HIS A 110 24.238 11.200 -3.342 1.00 52.54 C ATOM 1738 NE2 HIS A 110 23.350 10.893 -2.423 1.00 63.03 N ATOM 0 H HIS A 110 23.026 13.959 -0.492 1.00 3.34 H new ATOM 0 HA HIS A 110 25.537 15.257 0.229 1.00 55.43 H new ATOM 0 HB2 HIS A 110 26.533 13.322 -0.982 1.00 43.02 H new ATOM 0 HB3 HIS A 110 25.514 12.873 0.371 1.00 43.02 H new ATOM 0 HD2 HIS A 110 23.072 11.556 -0.358 1.00 2.13 H new ATOM 0 HE1 HIS A 110 24.273 10.799 -4.344 1.00 52.54 H new ATOM 0 HE2 HIS A 110 22.579 10.235 -2.541 1.00 63.03 H new ATOM 1747 N HIS A 111 25.415 16.864 -1.702 1.00 44.23 N ATOM 1748 CA HIS A 111 25.807 17.759 -2.805 1.00 35.31 C ATOM 1749 C HIS A 111 27.087 18.510 -2.411 1.00 33.41 C ATOM 1750 O HIS A 111 27.093 19.269 -1.431 1.00 30.32 O ATOM 1751 CB HIS A 111 24.672 18.760 -3.158 1.00 63.51 C ATOM 1752 CG HIS A 111 25.030 19.710 -4.283 1.00 41.04 C ATOM 1753 ND1 HIS A 111 25.032 19.329 -5.610 1.00 34.33 N ATOM 1754 CD2 HIS A 111 25.449 21.005 -4.276 1.00 61.41 C ATOM 1755 CE1 HIS A 111 25.436 20.336 -6.359 1.00 2.22 C ATOM 1756 NE2 HIS A 111 25.696 21.363 -5.576 1.00 11.11 N ATOM 0 H HIS A 111 25.319 17.341 -0.806 1.00 44.23 H new ATOM 0 HA HIS A 111 25.993 17.158 -3.695 1.00 35.31 H new ATOM 0 HB2 HIS A 111 23.779 18.200 -3.436 1.00 63.51 H new ATOM 0 HB3 HIS A 111 24.421 19.340 -2.270 1.00 63.51 H new ATOM 0 HD2 HIS A 111 25.565 21.635 -3.406 1.00 61.41 H new ATOM 0 HE1 HIS A 111 25.537 20.321 -7.434 1.00 2.22 H new ATOM 0 HE2 HIS A 111 26.027 22.276 -5.887 1.00 11.11 H new ATOM 1765 N HIS A 112 28.168 18.272 -3.170 1.00 54.44 N ATOM 1766 CA HIS A 112 29.431 19.000 -3.017 1.00 24.25 C ATOM 1767 C HIS A 112 29.402 20.240 -3.950 1.00 25.02 C ATOM 1768 O HIS A 112 29.743 20.118 -5.147 1.00 3.21 O ATOM 1769 CB HIS A 112 30.635 18.067 -3.318 1.00 21.14 C ATOM 1770 CG HIS A 112 31.982 18.697 -3.046 1.00 74.33 C ATOM 1771 ND1 HIS A 112 32.764 19.256 -4.031 1.00 43.23 N ATOM 1772 CD2 HIS A 112 32.680 18.849 -1.892 1.00 63.40 C ATOM 1773 CE1 HIS A 112 33.878 19.719 -3.497 1.00 12.55 C ATOM 1774 NE2 HIS A 112 33.850 19.486 -2.204 1.00 71.23 N ATOM 1775 OXT HIS A 112 28.987 21.323 -3.488 1.00 38.72 O ATOM 0 H HIS A 112 28.188 17.568 -3.907 1.00 54.44 H new ATOM 0 HA HIS A 112 29.551 19.341 -1.989 1.00 24.25 H new ATOM 0 HB2 HIS A 112 30.540 17.163 -2.717 1.00 21.14 H new ATOM 0 HB3 HIS A 112 30.592 17.761 -4.363 1.00 21.14 H new ATOM 0 HD2 HIS A 112 32.369 18.527 -0.909 1.00 63.40 H new ATOM 0 HE1 HIS A 112 34.679 20.208 -4.033 1.00 12.55 H new ATOM 0 HE2 HIS A 112 34.582 19.739 -1.540 1.00 71.23 H new TER 1784 HIS A 112