USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1111 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 114 GLN : amide:sc= -0.532 K(o=0.052,f=-0.78) USER MOD Set 1.2: A 121 THR OG1 : rot -3:sc= 0.584 USER MOD Set 2.1: A 91 THR OG1 : rot -87:sc= 2.19 USER MOD Set 2.2: A 93 CYS SG : rot 85:sc= 1.21 USER MOD Set 3.1: A 60 GLN : amide:sc= -2.88! K(o=-5.3!,f=2) USER MOD Set 3.2: A 64 GLN : amide:sc= -2.39! K(o=-5.3!,f=2) USER MOD Set 3.3: A 70 THR OG1 : rot -130:sc= -0.022 USER MOD Set 4.1: A 45 GLN : amide:sc= 0.343 X(o=0.67,f=0.24) USER MOD Set 4.2: A 111 SER OG : rot 180:sc= 0.323 USER MOD Set 5.1: A 25 ASN : amide:sc= -2.85! C(o=-4.9!,f=-7.6!) USER MOD Set 5.2: A 69 GLN : amide:sc= -2.09 K(o=-4.9,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.3 (180deg=0.29) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc=-0.00633 X(o=-0.0063,f=-0.4) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.115 (180deg=-0.447) USER MOD Single : A 12 GLN : amide:sc= -0.0474 K(o=-0.047,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 151:sc= -0.169 (180deg=-0.62) USER MOD Single : A 27 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.448 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 79:sc= 0.71 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3.8!) USER MOD Single : A 46 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 55 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 61 MET CE :methyl -173:sc= -0.351 (180deg=-0.623) USER MOD Single : A 67 ASN : amide:sc= 0.418 K(o=0.42,f=-0.46) USER MOD Single : A 73 MET CE :methyl -160:sc= -0.0661 (180deg=-0.425) USER MOD Single : A 74 SER OG : rot 78:sc= 0.736 USER MOD Single : A 78 SER OG : rot 150:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -100:sc= -0.0386 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 167:sc= -0.0219 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -177:sc= -0.617 (180deg=-0.644) USER MOD Single : A 109 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.22) USER MOD Single : A 113 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.455) USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.22) USER MOD Single : A 124 SER OG : rot -88:sc= 0.906 USER MOD Single : A 127 SER OG : rot 65:sc= 1.02 USER MOD Single : A 131 THR OG1 : rot 72:sc= 0.867 USER MOD Single : A 135 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.933 51.053 25.643 1.00 10.22 N ATOM 2 CA MET A 1 -27.724 50.976 24.174 1.00 53.35 C ATOM 3 C MET A 1 -27.702 49.513 23.697 1.00 63.24 C ATOM 4 O MET A 1 -27.622 48.584 24.510 1.00 40.31 O ATOM 5 CB MET A 1 -26.420 51.705 23.756 1.00 53.40 C ATOM 6 CG MET A 1 -25.111 51.107 24.290 1.00 1.24 C ATOM 7 SD MET A 1 -24.976 51.159 26.092 1.00 25.01 S ATOM 8 CE MET A 1 -23.335 50.475 26.342 1.00 14.41 C ATOM 0 H1 MET A 1 -28.389 51.957 25.882 1.00 10.22 H new ATOM 0 H2 MET A 1 -28.542 50.267 25.949 1.00 10.22 H new ATOM 0 H3 MET A 1 -27.015 50.989 26.128 1.00 10.22 H new ATOM 0 HA MET A 1 -28.563 51.480 23.693 1.00 53.35 H new ATOM 0 HB2 MET A 1 -26.370 51.722 22.667 1.00 53.40 H new ATOM 0 HB3 MET A 1 -26.485 52.741 24.088 1.00 53.40 H new ATOM 0 HG2 MET A 1 -25.031 50.072 23.957 1.00 1.24 H new ATOM 0 HG3 MET A 1 -24.270 51.647 23.855 1.00 1.24 H new ATOM 0 HE1 MET A 1 -23.112 50.445 27.409 1.00 14.41 H new ATOM 0 HE2 MET A 1 -23.296 49.465 25.934 1.00 14.41 H new ATOM 0 HE3 MET A 1 -22.599 51.100 25.835 1.00 14.41 H new ATOM 20 N GLY A 2 -27.762 49.331 22.360 1.00 14.02 N ATOM 21 CA GLY A 2 -27.742 48.008 21.744 1.00 33.21 C ATOM 22 C GLY A 2 -27.277 48.051 20.296 1.00 60.12 C ATOM 23 O GLY A 2 -28.097 48.116 19.368 1.00 4.20 O ATOM 0 H GLY A 2 -27.825 50.098 21.691 1.00 14.02 H new ATOM 0 HA2 GLY A 2 -27.083 47.354 22.315 1.00 33.21 H new ATOM 0 HA3 GLY A 2 -28.741 47.574 21.790 1.00 33.21 H new ATOM 27 N HIS A 3 -25.946 48.060 20.110 1.00 74.13 N ATOM 28 CA HIS A 3 -25.311 47.929 18.784 1.00 10.34 C ATOM 29 C HIS A 3 -25.448 46.485 18.281 1.00 54.40 C ATOM 30 O HIS A 3 -25.502 45.544 19.081 1.00 14.31 O ATOM 31 CB HIS A 3 -23.816 48.353 18.834 1.00 75.23 C ATOM 32 CG HIS A 3 -23.600 49.838 18.888 1.00 70.51 C ATOM 33 ND1 HIS A 3 -23.239 50.583 17.782 1.00 45.42 N ATOM 34 CD2 HIS A 3 -23.714 50.719 19.905 1.00 52.00 C ATOM 35 CE1 HIS A 3 -23.146 51.852 18.120 1.00 31.45 C ATOM 36 NE2 HIS A 3 -23.429 51.962 19.403 1.00 31.30 N ATOM 0 H HIS A 3 -25.278 48.158 20.875 1.00 74.13 H new ATOM 0 HA HIS A 3 -25.821 48.597 18.089 1.00 10.34 H new ATOM 0 HB2 HIS A 3 -23.349 47.897 19.707 1.00 75.23 H new ATOM 0 HB3 HIS A 3 -23.307 47.955 17.956 1.00 75.23 H new ATOM 0 HD2 HIS A 3 -23.981 50.487 20.926 1.00 52.00 H new ATOM 0 HE1 HIS A 3 -22.883 52.664 17.459 1.00 31.45 H new ATOM 0 HE2 HIS A 3 -23.435 52.832 19.936 1.00 31.30 H new ATOM 45 N HIS A 4 -25.501 46.326 16.951 1.00 42.45 N ATOM 46 CA HIS A 4 -25.693 45.024 16.292 1.00 13.32 C ATOM 47 C HIS A 4 -24.348 44.474 15.810 1.00 13.42 C ATOM 48 O HIS A 4 -23.550 45.199 15.192 1.00 52.02 O ATOM 49 CB HIS A 4 -26.682 45.165 15.104 1.00 73.24 C ATOM 50 CG HIS A 4 -28.061 45.611 15.515 1.00 42.10 C ATOM 51 ND1 HIS A 4 -28.732 46.660 14.918 1.00 52.34 N ATOM 52 CD2 HIS A 4 -28.896 45.139 16.473 1.00 31.23 C ATOM 53 CE1 HIS A 4 -29.908 46.812 15.489 1.00 12.21 C ATOM 54 NE2 HIS A 4 -30.030 45.904 16.434 1.00 65.11 N ATOM 0 H HIS A 4 -25.411 47.103 16.296 1.00 42.45 H new ATOM 0 HA HIS A 4 -26.116 44.323 17.012 1.00 13.32 H new ATOM 0 HB2 HIS A 4 -26.277 45.880 14.388 1.00 73.24 H new ATOM 0 HB3 HIS A 4 -26.758 44.207 14.590 1.00 73.24 H new ATOM 0 HD2 HIS A 4 -28.702 44.314 17.142 1.00 31.23 H new ATOM 0 HE1 HIS A 4 -30.647 47.555 15.227 1.00 12.21 H new ATOM 0 HE2 HIS A 4 -30.841 45.789 17.041 1.00 65.11 H new ATOM 63 N HIS A 5 -24.090 43.201 16.132 1.00 62.11 N ATOM 64 CA HIS A 5 -22.891 42.476 15.692 1.00 14.35 C ATOM 65 C HIS A 5 -23.285 41.376 14.686 1.00 34.13 C ATOM 66 O HIS A 5 -24.344 40.742 14.818 1.00 74.13 O ATOM 67 CB HIS A 5 -22.127 41.894 16.915 1.00 2.30 C ATOM 68 CG HIS A 5 -22.881 40.878 17.752 1.00 65.12 C ATOM 69 ND1 HIS A 5 -23.534 41.199 18.924 1.00 1.42 N ATOM 70 CD2 HIS A 5 -23.052 39.542 17.597 1.00 65.12 C ATOM 71 CE1 HIS A 5 -24.071 40.114 19.441 1.00 72.12 C ATOM 72 NE2 HIS A 5 -23.793 39.098 18.656 1.00 11.51 N ATOM 0 H HIS A 5 -24.714 42.639 16.711 1.00 62.11 H new ATOM 0 HA HIS A 5 -22.216 43.167 15.188 1.00 14.35 H new ATOM 0 HB2 HIS A 5 -21.209 41.429 16.556 1.00 2.30 H new ATOM 0 HB3 HIS A 5 -21.834 42.721 17.562 1.00 2.30 H new ATOM 0 HD2 HIS A 5 -22.672 38.939 16.785 1.00 65.12 H new ATOM 0 HE1 HIS A 5 -24.643 40.067 20.356 1.00 72.12 H new ATOM 0 HE2 HIS A 5 -24.084 38.133 18.812 1.00 11.51 H new ATOM 81 N HIS A 6 -22.444 41.186 13.664 1.00 52.15 N ATOM 82 CA HIS A 6 -22.633 40.147 12.641 1.00 54.21 C ATOM 83 C HIS A 6 -21.255 39.651 12.176 1.00 24.04 C ATOM 84 O HIS A 6 -20.629 40.258 11.304 1.00 55.32 O ATOM 85 CB HIS A 6 -23.483 40.699 11.453 1.00 71.34 C ATOM 86 CG HIS A 6 -23.805 39.687 10.373 1.00 5.24 C ATOM 87 ND1 HIS A 6 -24.855 38.790 10.455 1.00 63.15 N ATOM 88 CD2 HIS A 6 -23.218 39.451 9.175 1.00 1.32 C ATOM 89 CE1 HIS A 6 -24.894 38.055 9.360 1.00 33.42 C ATOM 90 NE2 HIS A 6 -23.913 38.436 8.571 1.00 51.34 N ATOM 0 H HIS A 6 -21.607 41.751 13.521 1.00 52.15 H new ATOM 0 HA HIS A 6 -23.183 39.305 13.061 1.00 54.21 H new ATOM 0 HB2 HIS A 6 -24.418 41.096 11.848 1.00 71.34 H new ATOM 0 HB3 HIS A 6 -22.948 41.534 11.000 1.00 71.34 H new ATOM 0 HD2 HIS A 6 -22.360 39.968 8.770 1.00 1.32 H new ATOM 0 HE1 HIS A 6 -25.609 37.274 9.148 1.00 33.42 H new ATOM 0 HE2 HIS A 6 -23.703 38.039 7.655 1.00 51.34 H new ATOM 99 N HIS A 7 -20.771 38.577 12.811 1.00 14.14 N ATOM 100 CA HIS A 7 -19.468 37.974 12.513 1.00 33.41 C ATOM 101 C HIS A 7 -19.634 36.452 12.414 1.00 31.44 C ATOM 102 O HIS A 7 -19.955 35.790 13.403 1.00 63.34 O ATOM 103 CB HIS A 7 -18.430 38.339 13.606 1.00 12.12 C ATOM 104 CG HIS A 7 -17.058 37.757 13.344 1.00 75.11 C ATOM 105 ND1 HIS A 7 -16.629 36.564 13.892 1.00 4.40 N ATOM 106 CD2 HIS A 7 -16.037 38.186 12.559 1.00 63.23 C ATOM 107 CE1 HIS A 7 -15.416 36.288 13.459 1.00 3.54 C ATOM 108 NE2 HIS A 7 -15.036 37.252 12.651 1.00 40.41 N ATOM 0 H HIS A 7 -21.279 38.098 13.554 1.00 14.14 H new ATOM 0 HA HIS A 7 -19.099 38.363 11.564 1.00 33.41 H new ATOM 0 HB2 HIS A 7 -18.350 39.424 13.674 1.00 12.12 H new ATOM 0 HB3 HIS A 7 -18.789 37.984 14.572 1.00 12.12 H new ATOM 0 HD2 HIS A 7 -16.016 39.092 11.972 1.00 63.23 H new ATOM 0 HE1 HIS A 7 -14.833 35.418 13.723 1.00 3.54 H new ATOM 0 HE2 HIS A 7 -14.139 37.299 12.168 1.00 40.41 H new ATOM 117 N HIS A 8 -19.442 35.923 11.198 1.00 42.11 N ATOM 118 CA HIS A 8 -19.500 34.479 10.896 1.00 24.52 C ATOM 119 C HIS A 8 -18.197 34.076 10.185 1.00 15.53 C ATOM 120 O HIS A 8 -17.628 34.887 9.442 1.00 72.31 O ATOM 121 CB HIS A 8 -20.720 34.149 9.991 1.00 74.22 C ATOM 122 CG HIS A 8 -22.075 34.399 10.590 1.00 12.41 C ATOM 123 ND1 HIS A 8 -22.912 33.381 10.993 1.00 34.02 N ATOM 124 CD2 HIS A 8 -22.770 35.545 10.783 1.00 51.21 C ATOM 125 CE1 HIS A 8 -24.056 33.887 11.401 1.00 44.41 C ATOM 126 NE2 HIS A 8 -23.998 35.200 11.285 1.00 22.24 N ATOM 0 H HIS A 8 -19.238 36.495 10.378 1.00 42.11 H new ATOM 0 HA HIS A 8 -19.612 33.921 11.826 1.00 24.52 H new ATOM 0 HB2 HIS A 8 -20.636 34.735 9.076 1.00 74.22 H new ATOM 0 HB3 HIS A 8 -20.660 33.099 9.704 1.00 74.22 H new ATOM 0 HD2 HIS A 8 -22.421 36.546 10.579 1.00 51.21 H new ATOM 0 HE1 HIS A 8 -24.900 33.323 11.769 1.00 44.41 H new ATOM 0 HE2 HIS A 8 -24.744 35.851 11.529 1.00 22.24 H new ATOM 135 N SER A 9 -17.732 32.830 10.398 1.00 32.51 N ATOM 136 CA SER A 9 -16.480 32.337 9.796 1.00 2.44 C ATOM 137 C SER A 9 -16.611 30.839 9.434 1.00 2.02 C ATOM 138 O SER A 9 -16.098 29.959 10.139 1.00 70.22 O ATOM 139 CB SER A 9 -15.288 32.613 10.761 1.00 43.15 C ATOM 140 OG SER A 9 -14.041 32.327 10.148 1.00 20.15 O ATOM 0 H SER A 9 -18.208 32.145 10.985 1.00 32.51 H new ATOM 0 HA SER A 9 -16.282 32.872 8.867 1.00 2.44 H new ATOM 0 HB2 SER A 9 -15.308 33.656 11.076 1.00 43.15 H new ATOM 0 HB3 SER A 9 -15.399 32.007 11.660 1.00 43.15 H new ATOM 0 HG SER A 9 -13.316 32.513 10.780 1.00 20.15 H new ATOM 146 N HIS A 10 -17.356 30.560 8.345 1.00 21.35 N ATOM 147 CA HIS A 10 -17.512 29.199 7.792 1.00 40.21 C ATOM 148 C HIS A 10 -16.368 28.944 6.795 1.00 64.50 C ATOM 149 O HIS A 10 -16.478 29.284 5.610 1.00 12.41 O ATOM 150 CB HIS A 10 -18.909 29.032 7.116 1.00 54.35 C ATOM 151 CG HIS A 10 -19.171 27.656 6.540 1.00 40.04 C ATOM 152 ND1 HIS A 10 -18.678 27.246 5.318 1.00 54.03 N ATOM 153 CD2 HIS A 10 -19.865 26.593 7.028 1.00 15.43 C ATOM 154 CE1 HIS A 10 -19.052 26.005 5.079 1.00 30.52 C ATOM 155 NE2 HIS A 10 -19.771 25.586 6.099 1.00 64.23 N ATOM 0 H HIS A 10 -17.867 31.273 7.824 1.00 21.35 H new ATOM 0 HA HIS A 10 -17.460 28.463 8.594 1.00 40.21 H new ATOM 0 HB2 HIS A 10 -19.682 29.257 7.850 1.00 54.35 H new ATOM 0 HB3 HIS A 10 -19.002 29.769 6.318 1.00 54.35 H new ATOM 0 HD1 HIS A 10 -18.109 27.818 4.693 1.00 54.03 H new ATOM 0 HD2 HIS A 10 -20.392 26.549 7.970 1.00 15.43 H new ATOM 0 HE1 HIS A 10 -18.810 25.430 4.197 1.00 30.52 H new ATOM 164 N MET A 11 -15.254 28.402 7.303 1.00 52.43 N ATOM 165 CA MET A 11 -14.039 28.166 6.508 1.00 24.40 C ATOM 166 C MET A 11 -14.291 27.145 5.371 1.00 3.25 C ATOM 167 O MET A 11 -14.523 25.956 5.628 1.00 34.13 O ATOM 168 CB MET A 11 -12.875 27.687 7.421 1.00 51.41 C ATOM 169 CG MET A 11 -11.549 27.448 6.682 1.00 40.33 C ATOM 170 SD MET A 11 -10.200 26.919 7.761 1.00 21.40 S ATOM 171 CE MET A 11 -10.089 28.271 8.936 1.00 52.33 C ATOM 0 H MET A 11 -15.168 28.114 8.278 1.00 52.43 H new ATOM 0 HA MET A 11 -13.757 29.112 6.046 1.00 24.40 H new ATOM 0 HB2 MET A 11 -12.713 28.429 8.203 1.00 51.41 H new ATOM 0 HB3 MET A 11 -13.174 26.763 7.916 1.00 51.41 H new ATOM 0 HG2 MET A 11 -11.704 26.692 5.912 1.00 40.33 H new ATOM 0 HG3 MET A 11 -11.256 28.366 6.173 1.00 40.33 H new ATOM 0 HE1 MET A 11 -9.131 28.225 9.454 1.00 52.33 H new ATOM 0 HE2 MET A 11 -10.171 29.220 8.407 1.00 52.33 H new ATOM 0 HE3 MET A 11 -10.898 28.190 9.662 1.00 52.33 H new ATOM 181 N GLN A 12 -14.296 27.650 4.125 1.00 11.30 N ATOM 182 CA GLN A 12 -14.345 26.829 2.902 1.00 52.34 C ATOM 183 C GLN A 12 -12.894 26.636 2.441 1.00 35.34 C ATOM 184 O GLN A 12 -12.327 27.508 1.776 1.00 24.32 O ATOM 185 CB GLN A 12 -15.241 27.524 1.814 1.00 45.41 C ATOM 186 CG GLN A 12 -15.959 26.576 0.815 1.00 52.31 C ATOM 187 CD GLN A 12 -15.129 26.097 -0.388 1.00 31.23 C ATOM 188 OE1 GLN A 12 -13.908 25.991 -0.346 1.00 73.21 O ATOM 189 NE2 GLN A 12 -15.814 25.780 -1.473 1.00 20.12 N ATOM 0 H GLN A 12 -14.266 28.652 3.936 1.00 11.30 H new ATOM 0 HA GLN A 12 -14.800 25.855 3.084 1.00 52.34 H new ATOM 0 HB2 GLN A 12 -15.997 28.123 2.323 1.00 45.41 H new ATOM 0 HB3 GLN A 12 -14.618 28.214 1.245 1.00 45.41 H new ATOM 0 HG2 GLN A 12 -16.304 25.699 1.363 1.00 52.31 H new ATOM 0 HG3 GLN A 12 -16.846 27.085 0.438 1.00 52.31 H new ATOM 0 HE21 GLN A 12 -16.829 25.877 -1.482 1.00 20.12 H new ATOM 0 HE22 GLN A 12 -15.327 25.438 -2.302 1.00 20.12 H new ATOM 198 N GLU A 13 -12.287 25.524 2.871 1.00 24.30 N ATOM 199 CA GLU A 13 -10.876 25.213 2.603 1.00 14.42 C ATOM 200 C GLU A 13 -10.689 24.716 1.159 1.00 43.44 C ATOM 201 O GLU A 13 -11.247 23.679 0.777 1.00 55.11 O ATOM 202 CB GLU A 13 -10.377 24.133 3.600 1.00 62.41 C ATOM 203 CG GLU A 13 -8.909 23.706 3.404 1.00 73.13 C ATOM 204 CD GLU A 13 -8.506 22.542 4.317 1.00 20.31 C ATOM 205 OE1 GLU A 13 -8.204 22.778 5.504 1.00 12.13 O ATOM 206 OE2 GLU A 13 -8.520 21.384 3.855 1.00 62.32 O ATOM 0 H GLU A 13 -12.764 24.808 3.419 1.00 24.30 H new ATOM 0 HA GLU A 13 -10.292 26.124 2.732 1.00 14.42 H new ATOM 0 HB2 GLU A 13 -10.499 24.511 4.615 1.00 62.41 H new ATOM 0 HB3 GLU A 13 -11.013 23.252 3.509 1.00 62.41 H new ATOM 0 HG2 GLU A 13 -8.754 23.418 2.364 1.00 73.13 H new ATOM 0 HG3 GLU A 13 -8.258 24.558 3.599 1.00 73.13 H new ATOM 213 N LEU A 14 -9.922 25.471 0.362 1.00 64.15 N ATOM 214 CA LEU A 14 -9.498 25.046 -0.979 1.00 61.35 C ATOM 215 C LEU A 14 -8.211 24.198 -0.861 1.00 23.02 C ATOM 216 O LEU A 14 -7.194 24.693 -0.368 1.00 23.01 O ATOM 217 CB LEU A 14 -9.295 26.261 -1.932 1.00 13.02 C ATOM 218 CG LEU A 14 -10.600 27.023 -2.365 1.00 3.33 C ATOM 219 CD1 LEU A 14 -11.132 27.961 -1.263 1.00 11.31 C ATOM 220 CD2 LEU A 14 -10.382 27.768 -3.691 1.00 61.40 C ATOM 0 H LEU A 14 -9.578 26.394 0.628 1.00 64.15 H new ATOM 0 HA LEU A 14 -10.287 24.437 -1.420 1.00 61.35 H new ATOM 0 HB2 LEU A 14 -8.628 26.972 -1.445 1.00 13.02 H new ATOM 0 HB3 LEU A 14 -8.787 25.911 -2.831 1.00 13.02 H new ATOM 0 HG LEU A 14 -11.374 26.272 -2.522 1.00 3.33 H new ATOM 0 HD11 LEU A 14 -12.034 28.462 -1.615 1.00 11.31 H new ATOM 0 HD12 LEU A 14 -11.365 27.379 -0.371 1.00 11.31 H new ATOM 0 HD13 LEU A 14 -10.374 28.706 -1.022 1.00 11.31 H new ATOM 0 HD21 LEU A 14 -11.298 28.288 -3.971 1.00 61.40 H new ATOM 0 HD22 LEU A 14 -9.575 28.492 -3.573 1.00 61.40 H new ATOM 0 HD23 LEU A 14 -10.118 27.054 -4.471 1.00 61.40 H new ATOM 232 N PRO A 15 -8.250 22.881 -1.254 1.00 35.53 N ATOM 233 CA PRO A 15 -7.080 21.989 -1.232 1.00 32.15 C ATOM 234 C PRO A 15 -6.350 21.911 -2.601 1.00 51.11 C ATOM 235 O PRO A 15 -6.991 21.935 -3.662 1.00 23.30 O ATOM 236 CB PRO A 15 -7.727 20.635 -0.845 1.00 74.21 C ATOM 237 CG PRO A 15 -9.170 20.704 -1.309 1.00 34.32 C ATOM 238 CD PRO A 15 -9.447 22.140 -1.731 1.00 53.23 C ATOM 0 HA PRO A 15 -6.298 22.324 -0.551 1.00 32.15 H new ATOM 0 HB2 PRO A 15 -7.205 19.805 -1.321 1.00 74.21 H new ATOM 0 HB3 PRO A 15 -7.672 20.471 0.231 1.00 74.21 H new ATOM 0 HG2 PRO A 15 -9.338 20.021 -2.141 1.00 34.32 H new ATOM 0 HG3 PRO A 15 -9.845 20.403 -0.508 1.00 34.32 H new ATOM 0 HD2 PRO A 15 -9.567 22.225 -2.811 1.00 53.23 H new ATOM 0 HD3 PRO A 15 -10.362 22.522 -1.278 1.00 53.23 H new ATOM 246 N ASP A 16 -5.008 21.819 -2.560 1.00 33.32 N ATOM 247 CA ASP A 16 -4.170 21.653 -3.769 1.00 63.20 C ATOM 248 C ASP A 16 -4.472 20.307 -4.435 1.00 32.31 C ATOM 249 O ASP A 16 -4.656 19.307 -3.742 1.00 52.22 O ATOM 250 CB ASP A 16 -2.663 21.770 -3.417 1.00 5.34 C ATOM 251 CG ASP A 16 -2.282 23.178 -2.921 1.00 42.14 C ATOM 252 OD1 ASP A 16 -2.155 24.094 -3.758 1.00 14.05 O ATOM 253 OD2 ASP A 16 -2.118 23.378 -1.692 1.00 70.33 O ATOM 0 H ASP A 16 -4.473 21.857 -1.693 1.00 33.32 H new ATOM 0 HA ASP A 16 -4.410 22.451 -4.472 1.00 63.20 H new ATOM 0 HB2 ASP A 16 -2.414 21.038 -2.649 1.00 5.34 H new ATOM 0 HB3 ASP A 16 -2.067 21.524 -4.296 1.00 5.34 H new ATOM 258 N SER A 17 -4.539 20.296 -5.774 1.00 11.15 N ATOM 259 CA SER A 17 -4.970 19.120 -6.558 1.00 72.23 C ATOM 260 C SER A 17 -4.391 19.168 -7.980 1.00 23.01 C ATOM 261 O SER A 17 -3.653 20.099 -8.323 1.00 43.41 O ATOM 262 CB SER A 17 -6.515 19.053 -6.618 1.00 3.40 C ATOM 263 OG SER A 17 -7.070 18.842 -5.332 1.00 24.43 O ATOM 0 H SER A 17 -4.296 21.103 -6.349 1.00 11.15 H new ATOM 0 HA SER A 17 -4.594 18.225 -6.063 1.00 72.23 H new ATOM 0 HB2 SER A 17 -6.906 19.980 -7.038 1.00 3.40 H new ATOM 0 HB3 SER A 17 -6.821 18.247 -7.285 1.00 3.40 H new ATOM 0 HG SER A 17 -8.047 18.806 -5.399 1.00 24.43 H new ATOM 269 N GLY A 18 -4.740 18.152 -8.794 1.00 3.12 N ATOM 270 CA GLY A 18 -4.343 18.070 -10.201 1.00 43.32 C ATOM 271 C GLY A 18 -3.858 16.673 -10.535 1.00 44.12 C ATOM 272 O GLY A 18 -4.654 15.792 -10.888 1.00 4.32 O ATOM 0 H GLY A 18 -5.309 17.364 -8.485 1.00 3.12 H new ATOM 0 HA2 GLY A 18 -5.187 18.330 -10.839 1.00 43.32 H new ATOM 0 HA3 GLY A 18 -3.554 18.794 -10.405 1.00 43.32 H new ATOM 276 N ALA A 19 -2.549 16.455 -10.386 1.00 21.23 N ATOM 277 CA ALA A 19 -1.923 15.141 -10.604 1.00 13.51 C ATOM 278 C ALA A 19 -1.268 14.678 -9.301 1.00 35.31 C ATOM 279 O ALA A 19 -0.494 15.428 -8.697 1.00 74.34 O ATOM 280 CB ALA A 19 -0.905 15.213 -11.753 1.00 74.03 C ATOM 0 H ALA A 19 -1.890 17.183 -10.111 1.00 21.23 H new ATOM 0 HA ALA A 19 -2.682 14.414 -10.892 1.00 13.51 H new ATOM 0 HB1 ALA A 19 -0.452 14.232 -11.900 1.00 74.03 H new ATOM 0 HB2 ALA A 19 -1.411 15.520 -12.668 1.00 74.03 H new ATOM 0 HB3 ALA A 19 -0.129 15.938 -11.507 1.00 74.03 H new ATOM 286 N LEU A 20 -1.594 13.446 -8.885 1.00 4.54 N ATOM 287 CA LEU A 20 -1.074 12.837 -7.658 1.00 33.42 C ATOM 288 C LEU A 20 0.426 12.570 -7.820 1.00 25.34 C ATOM 289 O LEU A 20 0.816 11.629 -8.524 1.00 52.04 O ATOM 290 CB LEU A 20 -1.814 11.500 -7.377 1.00 74.11 C ATOM 291 CG LEU A 20 -1.385 10.732 -6.084 1.00 43.23 C ATOM 292 CD1 LEU A 20 -1.962 11.386 -4.827 1.00 22.51 C ATOM 293 CD2 LEU A 20 -1.757 9.241 -6.159 1.00 62.33 C ATOM 0 H LEU A 20 -2.234 12.840 -9.399 1.00 4.54 H new ATOM 0 HA LEU A 20 -1.236 13.517 -6.821 1.00 33.42 H new ATOM 0 HB2 LEU A 20 -2.882 11.706 -7.314 1.00 74.11 H new ATOM 0 HB3 LEU A 20 -1.666 10.840 -8.232 1.00 74.11 H new ATOM 0 HG LEU A 20 -0.299 10.793 -6.018 1.00 43.23 H new ATOM 0 HD11 LEU A 20 -1.644 10.827 -3.947 1.00 22.51 H new ATOM 0 HD12 LEU A 20 -1.603 12.413 -4.754 1.00 22.51 H new ATOM 0 HD13 LEU A 20 -3.051 11.385 -4.883 1.00 22.51 H new ATOM 0 HD21 LEU A 20 -1.443 8.741 -5.243 1.00 62.33 H new ATOM 0 HD22 LEU A 20 -2.836 9.141 -6.276 1.00 62.33 H new ATOM 0 HD23 LEU A 20 -1.256 8.783 -7.012 1.00 62.33 H new ATOM 305 N MET A 21 1.261 13.436 -7.230 1.00 13.51 N ATOM 306 CA MET A 21 2.712 13.230 -7.214 1.00 21.21 C ATOM 307 C MET A 21 3.083 12.586 -5.880 1.00 45.41 C ATOM 308 O MET A 21 3.259 13.288 -4.884 1.00 0.30 O ATOM 309 CB MET A 21 3.467 14.584 -7.377 1.00 44.14 C ATOM 310 CG MET A 21 3.158 15.372 -8.656 1.00 74.23 C ATOM 311 SD MET A 21 4.005 16.970 -8.709 1.00 63.03 S ATOM 312 CE MET A 21 5.725 16.506 -8.443 1.00 43.32 C ATOM 0 H MET A 21 0.954 14.286 -6.758 1.00 13.51 H new ATOM 0 HA MET A 21 3.000 12.586 -8.045 1.00 21.21 H new ATOM 0 HB2 MET A 21 3.233 15.214 -6.519 1.00 44.14 H new ATOM 0 HB3 MET A 21 4.539 14.387 -7.344 1.00 44.14 H new ATOM 0 HG2 MET A 21 3.452 14.780 -9.523 1.00 74.23 H new ATOM 0 HG3 MET A 21 2.082 15.532 -8.729 1.00 74.23 H new ATOM 0 HE1 MET A 21 6.377 17.226 -8.937 1.00 43.32 H new ATOM 0 HE2 MET A 21 5.938 16.497 -7.374 1.00 43.32 H new ATOM 0 HE3 MET A 21 5.902 15.513 -8.857 1.00 43.32 H new ATOM 322 N LEU A 22 3.205 11.248 -5.867 1.00 4.11 N ATOM 323 CA LEU A 22 3.638 10.506 -4.674 1.00 24.42 C ATOM 324 C LEU A 22 5.147 10.659 -4.520 1.00 62.21 C ATOM 325 O LEU A 22 5.893 10.516 -5.496 1.00 4.41 O ATOM 326 CB LEU A 22 3.253 8.999 -4.780 1.00 14.22 C ATOM 327 CG LEU A 22 1.729 8.688 -4.795 1.00 51.42 C ATOM 328 CD1 LEU A 22 1.463 7.219 -5.184 1.00 71.23 C ATOM 329 CD2 LEU A 22 1.073 9.038 -3.439 1.00 50.53 C ATOM 0 H LEU A 22 3.008 10.657 -6.675 1.00 4.11 H new ATOM 0 HA LEU A 22 3.133 10.913 -3.798 1.00 24.42 H new ATOM 0 HB2 LEU A 22 3.696 8.594 -5.690 1.00 14.22 H new ATOM 0 HB3 LEU A 22 3.704 8.468 -3.942 1.00 14.22 H new ATOM 0 HG LEU A 22 1.269 9.319 -5.556 1.00 51.42 H new ATOM 0 HD11 LEU A 22 0.389 7.032 -5.186 1.00 71.23 H new ATOM 0 HD12 LEU A 22 1.866 7.027 -6.178 1.00 71.23 H new ATOM 0 HD13 LEU A 22 1.945 6.559 -4.463 1.00 71.23 H new ATOM 0 HD21 LEU A 22 0.008 8.810 -3.480 1.00 50.53 H new ATOM 0 HD22 LEU A 22 1.539 8.452 -2.647 1.00 50.53 H new ATOM 0 HD23 LEU A 22 1.209 10.100 -3.232 1.00 50.53 H new ATOM 341 N VAL A 23 5.582 11.008 -3.312 1.00 61.12 N ATOM 342 CA VAL A 23 7.006 11.062 -2.942 1.00 15.35 C ATOM 343 C VAL A 23 7.207 10.187 -1.676 1.00 34.20 C ATOM 344 O VAL A 23 6.266 10.048 -0.870 1.00 24.54 O ATOM 345 CB VAL A 23 7.495 12.554 -2.720 1.00 15.25 C ATOM 346 CG1 VAL A 23 7.278 13.414 -3.993 1.00 31.53 C ATOM 347 CG2 VAL A 23 6.827 13.209 -1.502 1.00 62.12 C ATOM 0 H VAL A 23 4.955 11.265 -2.550 1.00 61.12 H new ATOM 0 HA VAL A 23 7.617 10.669 -3.755 1.00 15.35 H new ATOM 0 HB VAL A 23 8.565 12.506 -2.517 1.00 15.25 H new ATOM 0 HG11 VAL A 23 7.623 14.431 -3.808 1.00 31.53 H new ATOM 0 HG12 VAL A 23 7.840 12.985 -4.822 1.00 31.53 H new ATOM 0 HG13 VAL A 23 6.217 13.431 -4.244 1.00 31.53 H new ATOM 0 HG21 VAL A 23 7.194 14.229 -1.391 1.00 62.12 H new ATOM 0 HG22 VAL A 23 5.746 13.225 -1.644 1.00 62.12 H new ATOM 0 HG23 VAL A 23 7.066 12.638 -0.605 1.00 62.12 H new ATOM 357 N PRO A 24 8.401 9.532 -1.492 1.00 75.41 N ATOM 358 CA PRO A 24 8.654 8.673 -0.314 1.00 54.41 C ATOM 359 C PRO A 24 8.641 9.511 0.982 1.00 32.52 C ATOM 360 O PRO A 24 9.504 10.379 1.173 1.00 21.41 O ATOM 361 CB PRO A 24 10.054 8.046 -0.598 1.00 35.04 C ATOM 362 CG PRO A 24 10.293 8.278 -2.065 1.00 41.23 C ATOM 363 CD PRO A 24 9.588 9.572 -2.387 1.00 51.53 C ATOM 0 HA PRO A 24 7.892 7.907 -0.167 1.00 54.41 H new ATOM 0 HB2 PRO A 24 10.828 8.518 0.008 1.00 35.04 H new ATOM 0 HB3 PRO A 24 10.066 6.983 -0.359 1.00 35.04 H new ATOM 0 HG2 PRO A 24 11.359 8.347 -2.283 1.00 41.23 H new ATOM 0 HG3 PRO A 24 9.898 7.456 -2.662 1.00 41.23 H new ATOM 0 HD2 PRO A 24 10.219 10.438 -2.184 1.00 51.53 H new ATOM 0 HD3 PRO A 24 9.301 9.626 -3.437 1.00 51.53 H new ATOM 371 N ASN A 25 7.633 9.274 1.837 1.00 31.25 N ATOM 372 CA ASN A 25 7.465 10.003 3.109 1.00 2.14 C ATOM 373 C ASN A 25 8.580 9.647 4.107 1.00 43.02 C ATOM 374 O ASN A 25 9.417 8.776 3.830 1.00 52.12 O ATOM 375 CB ASN A 25 6.075 9.701 3.744 1.00 33.22 C ATOM 376 CG ASN A 25 5.866 8.241 4.180 1.00 61.13 C ATOM 377 OD1 ASN A 25 6.359 7.313 3.551 1.00 25.52 O ATOM 378 ND2 ASN A 25 5.133 8.034 5.262 1.00 12.15 N ATOM 0 H ASN A 25 6.911 8.573 1.668 1.00 31.25 H new ATOM 0 HA ASN A 25 7.527 11.068 2.884 1.00 2.14 H new ATOM 0 HB2 ASN A 25 5.940 10.347 4.612 1.00 33.22 H new ATOM 0 HB3 ASN A 25 5.299 9.965 3.026 1.00 33.22 H new ATOM 0 HD21 ASN A 25 4.967 7.083 5.591 1.00 12.15 H new ATOM 0 HD22 ASN A 25 4.734 8.825 5.767 1.00 12.15 H new ATOM 385 N ARG A 26 8.574 10.323 5.279 1.00 73.11 N ATOM 386 CA ARG A 26 9.439 9.954 6.409 1.00 73.34 C ATOM 387 C ARG A 26 9.175 8.493 6.767 1.00 14.52 C ATOM 388 O ARG A 26 8.008 8.067 6.802 1.00 73.53 O ATOM 389 CB ARG A 26 9.185 10.845 7.657 1.00 4.12 C ATOM 390 CG ARG A 26 9.541 12.329 7.488 1.00 12.11 C ATOM 391 CD ARG A 26 11.012 12.557 7.132 1.00 21.44 C ATOM 392 NE ARG A 26 11.935 12.041 8.161 1.00 71.34 N ATOM 393 CZ ARG A 26 13.160 11.531 7.914 1.00 30.01 C ATOM 394 NH1 ARG A 26 13.632 11.453 6.667 1.00 11.20 N ATOM 395 NH2 ARG A 26 13.922 11.131 8.925 1.00 51.43 N ATOM 0 H ARG A 26 7.975 11.129 5.461 1.00 73.11 H new ATOM 0 HA ARG A 26 10.476 10.102 6.108 1.00 73.34 H new ATOM 0 HB2 ARG A 26 8.132 10.770 7.928 1.00 4.12 H new ATOM 0 HB3 ARG A 26 9.759 10.444 8.492 1.00 4.12 H new ATOM 0 HG2 ARG A 26 8.914 12.760 6.708 1.00 12.11 H new ATOM 0 HG3 ARG A 26 9.311 12.859 8.412 1.00 12.11 H new ATOM 0 HD2 ARG A 26 11.230 12.074 6.180 1.00 21.44 H new ATOM 0 HD3 ARG A 26 11.187 13.624 6.995 1.00 21.44 H new ATOM 0 HE ARG A 26 11.624 12.072 9.132 1.00 71.34 H new ATOM 0 HH11 ARG A 26 13.065 11.781 5.885 1.00 11.20 H new ATOM 0 HH12 ARG A 26 14.560 11.065 6.496 1.00 11.20 H new ATOM 0 HH21 ARG A 26 13.581 11.210 9.883 1.00 51.43 H new ATOM 0 HH22 ARG A 26 14.849 10.745 8.744 1.00 51.43 H new ATOM 409 N GLN A 27 10.256 7.735 6.966 1.00 2.15 N ATOM 410 CA GLN A 27 10.179 6.322 7.313 1.00 41.24 C ATOM 411 C GLN A 27 9.462 6.168 8.670 1.00 34.13 C ATOM 412 O GLN A 27 10.052 6.370 9.742 1.00 32.12 O ATOM 413 CB GLN A 27 11.604 5.674 7.273 1.00 43.01 C ATOM 414 CG GLN A 27 12.766 6.499 7.920 1.00 44.11 C ATOM 415 CD GLN A 27 13.391 5.848 9.154 1.00 31.41 C ATOM 416 OE1 GLN A 27 14.317 5.045 9.044 1.00 32.13 O ATOM 417 NE2 GLN A 27 12.879 6.179 10.324 1.00 53.53 N ATOM 0 H GLN A 27 11.210 8.089 6.890 1.00 2.15 H new ATOM 0 HA GLN A 27 9.585 5.778 6.578 1.00 41.24 H new ATOM 0 HB2 GLN A 27 11.553 4.707 7.773 1.00 43.01 H new ATOM 0 HB3 GLN A 27 11.862 5.481 6.232 1.00 43.01 H new ATOM 0 HG2 GLN A 27 13.544 6.655 7.173 1.00 44.11 H new ATOM 0 HG3 GLN A 27 12.387 7.483 8.196 1.00 44.11 H new ATOM 0 HE21 GLN A 27 12.111 6.849 10.374 1.00 53.53 H new ATOM 0 HE22 GLN A 27 13.251 5.765 11.179 1.00 53.53 H new ATOM 426 N LEU A 28 8.142 5.878 8.590 1.00 72.03 N ATOM 427 CA LEU A 28 7.274 5.749 9.764 1.00 74.44 C ATOM 428 C LEU A 28 7.610 4.453 10.492 1.00 11.31 C ATOM 429 O LEU A 28 7.745 3.407 9.852 1.00 31.35 O ATOM 430 CB LEU A 28 5.770 5.761 9.365 1.00 23.03 C ATOM 431 CG LEU A 28 5.273 6.970 8.512 1.00 14.13 C ATOM 432 CD1 LEU A 28 3.762 6.846 8.214 1.00 35.10 C ATOM 433 CD2 LEU A 28 5.609 8.322 9.175 1.00 35.53 C ATOM 0 H LEU A 28 7.657 5.728 7.705 1.00 72.03 H new ATOM 0 HA LEU A 28 7.448 6.602 10.419 1.00 74.44 H new ATOM 0 HB2 LEU A 28 5.559 4.846 8.811 1.00 23.03 H new ATOM 0 HB3 LEU A 28 5.177 5.724 10.279 1.00 23.03 H new ATOM 0 HG LEU A 28 5.808 6.944 7.563 1.00 14.13 H new ATOM 0 HD11 LEU A 28 3.437 7.699 7.618 1.00 35.10 H new ATOM 0 HD12 LEU A 28 3.574 5.925 7.661 1.00 35.10 H new ATOM 0 HD13 LEU A 28 3.207 6.826 9.152 1.00 35.10 H new ATOM 0 HD21 LEU A 28 5.245 9.135 8.547 1.00 35.53 H new ATOM 0 HD22 LEU A 28 5.131 8.376 10.153 1.00 35.53 H new ATOM 0 HD23 LEU A 28 6.689 8.411 9.294 1.00 35.53 H new ATOM 445 N THR A 29 7.748 4.533 11.818 1.00 22.12 N ATOM 446 CA THR A 29 7.991 3.362 12.664 1.00 0.35 C ATOM 447 C THR A 29 6.766 2.439 12.605 1.00 64.34 C ATOM 448 O THR A 29 5.655 2.911 12.337 1.00 23.14 O ATOM 449 CB THR A 29 8.266 3.802 14.141 1.00 42.43 C ATOM 450 OG1 THR A 29 7.138 4.528 14.652 1.00 22.21 O ATOM 451 CG2 THR A 29 9.526 4.682 14.250 1.00 75.53 C ATOM 0 H THR A 29 7.694 5.411 12.335 1.00 22.12 H new ATOM 0 HA THR A 29 8.869 2.829 12.299 1.00 0.35 H new ATOM 0 HB THR A 29 8.429 2.898 14.728 1.00 42.43 H new ATOM 0 HG1 THR A 29 7.315 4.799 15.577 1.00 22.21 H new ATOM 0 HG21 THR A 29 9.682 4.966 15.291 1.00 75.53 H new ATOM 0 HG22 THR A 29 10.391 4.124 13.892 1.00 75.53 H new ATOM 0 HG23 THR A 29 9.397 5.579 13.644 1.00 75.53 H new ATOM 459 N ALA A 30 6.971 1.137 12.845 1.00 74.24 N ATOM 460 CA ALA A 30 5.858 0.169 12.950 1.00 61.22 C ATOM 461 C ALA A 30 4.882 0.582 14.074 1.00 63.30 C ATOM 462 O ALA A 30 3.681 0.305 13.995 1.00 43.31 O ATOM 463 CB ALA A 30 6.391 -1.259 13.164 1.00 52.21 C ATOM 0 H ALA A 30 7.895 0.725 12.971 1.00 74.24 H new ATOM 0 HA ALA A 30 5.306 0.176 12.010 1.00 61.22 H new ATOM 0 HB1 ALA A 30 5.553 -1.953 13.238 1.00 52.21 H new ATOM 0 HB2 ALA A 30 7.023 -1.542 12.322 1.00 52.21 H new ATOM 0 HB3 ALA A 30 6.975 -1.295 14.084 1.00 52.21 H new ATOM 469 N ASP A 31 5.427 1.267 15.103 1.00 14.40 N ATOM 470 CA ASP A 31 4.630 1.869 16.184 1.00 51.11 C ATOM 471 C ASP A 31 3.693 2.956 15.623 1.00 72.41 C ATOM 472 O ASP A 31 2.483 2.907 15.851 1.00 54.51 O ATOM 473 CB ASP A 31 5.538 2.489 17.283 1.00 1.22 C ATOM 474 CG ASP A 31 6.407 1.460 18.022 1.00 75.50 C ATOM 475 OD1 ASP A 31 5.870 0.729 18.886 1.00 61.13 O ATOM 476 OD2 ASP A 31 7.620 1.357 17.736 1.00 24.41 O ATOM 0 H ASP A 31 6.431 1.416 15.204 1.00 14.40 H new ATOM 0 HA ASP A 31 4.037 1.072 16.633 1.00 51.11 H new ATOM 0 HB2 ASP A 31 6.186 3.237 16.826 1.00 1.22 H new ATOM 0 HB3 ASP A 31 4.912 3.009 18.008 1.00 1.22 H new ATOM 481 N TYR A 32 4.261 3.893 14.834 1.00 62.32 N ATOM 482 CA TYR A 32 3.515 5.059 14.324 1.00 60.00 C ATOM 483 C TYR A 32 2.438 4.596 13.342 1.00 43.15 C ATOM 484 O TYR A 32 1.281 5.016 13.449 1.00 44.54 O ATOM 485 CB TYR A 32 4.442 6.098 13.625 1.00 25.34 C ATOM 486 CG TYR A 32 3.708 7.385 13.190 1.00 12.22 C ATOM 487 CD1 TYR A 32 3.482 8.419 14.095 1.00 31.50 C ATOM 488 CD2 TYR A 32 3.218 7.557 11.887 1.00 0.53 C ATOM 489 CE1 TYR A 32 2.805 9.563 13.726 1.00 74.20 C ATOM 490 CE2 TYR A 32 2.533 8.702 11.518 1.00 21.05 C ATOM 491 CZ TYR A 32 2.332 9.700 12.440 1.00 0.10 C ATOM 492 OH TYR A 32 1.639 10.836 12.080 1.00 4.41 O ATOM 0 H TYR A 32 5.236 3.863 14.537 1.00 62.32 H new ATOM 0 HA TYR A 32 3.058 5.550 15.183 1.00 60.00 H new ATOM 0 HB2 TYR A 32 5.253 6.363 14.303 1.00 25.34 H new ATOM 0 HB3 TYR A 32 4.897 5.635 12.749 1.00 25.34 H new ATOM 0 HD1 TYR A 32 3.845 8.323 15.108 1.00 31.50 H new ATOM 0 HD2 TYR A 32 3.379 6.779 11.155 1.00 0.53 H new ATOM 0 HE1 TYR A 32 2.646 10.352 14.446 1.00 74.20 H new ATOM 0 HE2 TYR A 32 2.159 8.810 10.511 1.00 21.05 H new ATOM 0 HH TYR A 32 1.377 10.774 11.138 1.00 4.41 H new ATOM 502 N PHE A 33 2.851 3.735 12.385 1.00 63.03 N ATOM 503 CA PHE A 33 1.964 3.169 11.359 1.00 2.23 C ATOM 504 C PHE A 33 0.738 2.515 12.007 1.00 2.44 C ATOM 505 O PHE A 33 -0.388 2.809 11.618 1.00 42.21 O ATOM 506 CB PHE A 33 2.723 2.117 10.492 1.00 33.12 C ATOM 507 CG PHE A 33 1.904 1.560 9.310 1.00 13.01 C ATOM 508 CD1 PHE A 33 0.961 0.535 9.484 1.00 34.52 C ATOM 509 CD2 PHE A 33 2.054 2.082 8.032 1.00 4.34 C ATOM 510 CE1 PHE A 33 0.206 0.070 8.426 1.00 73.14 C ATOM 511 CE2 PHE A 33 1.302 1.607 6.976 1.00 35.11 C ATOM 512 CZ PHE A 33 0.377 0.606 7.169 1.00 70.54 C ATOM 0 H PHE A 33 3.816 3.415 12.307 1.00 63.03 H new ATOM 0 HA PHE A 33 1.633 3.984 10.715 1.00 2.23 H new ATOM 0 HB2 PHE A 33 3.635 2.572 10.105 1.00 33.12 H new ATOM 0 HB3 PHE A 33 3.027 1.288 11.131 1.00 33.12 H new ATOM 0 HD1 PHE A 33 0.824 0.102 10.464 1.00 34.52 H new ATOM 0 HD2 PHE A 33 2.770 2.872 7.861 1.00 4.34 H new ATOM 0 HE1 PHE A 33 -0.519 -0.715 8.584 1.00 73.14 H new ATOM 0 HE2 PHE A 33 1.441 2.025 5.990 1.00 35.11 H new ATOM 0 HZ PHE A 33 -0.211 0.243 6.339 1.00 70.54 H new ATOM 522 N GLU A 34 1.003 1.614 12.981 1.00 12.30 N ATOM 523 CA GLU A 34 -0.038 0.841 13.678 1.00 22.34 C ATOM 524 C GLU A 34 -1.065 1.769 14.368 1.00 31.32 C ATOM 525 O GLU A 34 -2.271 1.568 14.213 1.00 1.11 O ATOM 526 CB GLU A 34 0.600 -0.124 14.717 1.00 23.12 C ATOM 527 CG GLU A 34 -0.393 -1.115 15.356 1.00 25.32 C ATOM 528 CD GLU A 34 0.235 -1.948 16.484 1.00 23.34 C ATOM 529 OE1 GLU A 34 1.011 -2.888 16.185 1.00 53.33 O ATOM 530 OE2 GLU A 34 -0.026 -1.652 17.676 1.00 22.12 O ATOM 0 H GLU A 34 1.948 1.406 13.303 1.00 12.30 H new ATOM 0 HA GLU A 34 -0.568 0.252 12.929 1.00 22.34 H new ATOM 0 HB2 GLU A 34 1.396 -0.688 14.231 1.00 23.12 H new ATOM 0 HB3 GLU A 34 1.065 0.467 15.507 1.00 23.12 H new ATOM 0 HG2 GLU A 34 -1.246 -0.563 15.751 1.00 25.32 H new ATOM 0 HG3 GLU A 34 -0.776 -1.785 14.586 1.00 25.32 H new ATOM 537 N LYS A 35 -0.568 2.806 15.078 1.00 11.51 N ATOM 538 CA LYS A 35 -1.432 3.786 15.788 1.00 20.13 C ATOM 539 C LYS A 35 -2.340 4.535 14.798 1.00 3.11 C ATOM 540 O LYS A 35 -3.552 4.602 14.994 1.00 22.42 O ATOM 541 CB LYS A 35 -0.583 4.808 16.584 1.00 43.35 C ATOM 542 CG LYS A 35 0.271 4.196 17.710 1.00 35.13 C ATOM 543 CD LYS A 35 1.153 5.246 18.421 1.00 51.53 C ATOM 544 CE LYS A 35 2.149 4.619 19.401 1.00 4.33 C ATOM 545 NZ LYS A 35 2.966 5.661 20.088 1.00 63.21 N ATOM 0 H LYS A 35 0.430 2.990 15.177 1.00 11.51 H new ATOM 0 HA LYS A 35 -2.052 3.225 16.487 1.00 20.13 H new ATOM 0 HB2 LYS A 35 0.075 5.331 15.891 1.00 43.35 H new ATOM 0 HB3 LYS A 35 -1.249 5.555 17.016 1.00 43.35 H new ATOM 0 HG2 LYS A 35 -0.384 3.721 18.441 1.00 35.13 H new ATOM 0 HG3 LYS A 35 0.906 3.413 17.295 1.00 35.13 H new ATOM 0 HD2 LYS A 35 1.699 5.821 17.673 1.00 51.53 H new ATOM 0 HD3 LYS A 35 0.514 5.947 18.958 1.00 51.53 H new ATOM 0 HE2 LYS A 35 1.610 4.030 20.143 1.00 4.33 H new ATOM 0 HE3 LYS A 35 2.806 3.934 18.866 1.00 4.33 H new ATOM 0 HZ1 LYS A 35 3.630 5.204 20.745 1.00 63.21 H new ATOM 0 HZ2 LYS A 35 3.498 6.207 19.381 1.00 63.21 H new ATOM 0 HZ3 LYS A 35 2.339 6.300 20.618 1.00 63.21 H new ATOM 559 N THR A 36 -1.714 5.055 13.732 1.00 73.45 N ATOM 560 CA THR A 36 -2.391 5.810 12.664 1.00 33.34 C ATOM 561 C THR A 36 -3.439 4.929 11.948 1.00 50.42 C ATOM 562 O THR A 36 -4.567 5.363 11.702 1.00 51.52 O ATOM 563 CB THR A 36 -1.328 6.365 11.649 1.00 34.14 C ATOM 564 OG1 THR A 36 -0.357 7.144 12.364 1.00 42.11 O ATOM 565 CG2 THR A 36 -1.947 7.239 10.542 1.00 74.13 C ATOM 0 H THR A 36 -0.709 4.962 13.584 1.00 73.45 H new ATOM 0 HA THR A 36 -2.920 6.653 13.108 1.00 33.34 H new ATOM 0 HB THR A 36 -0.870 5.503 11.164 1.00 34.14 H new ATOM 0 HG1 THR A 36 0.285 6.546 12.800 1.00 42.11 H new ATOM 0 HG21 THR A 36 -1.161 7.591 9.874 1.00 74.13 H new ATOM 0 HG22 THR A 36 -2.669 6.651 9.975 1.00 74.13 H new ATOM 0 HG23 THR A 36 -2.450 8.094 10.993 1.00 74.13 H new ATOM 573 N TRP A 37 -3.054 3.666 11.694 1.00 43.44 N ATOM 574 CA TRP A 37 -3.896 2.649 11.038 1.00 73.34 C ATOM 575 C TRP A 37 -5.181 2.410 11.863 1.00 53.43 C ATOM 576 O TRP A 37 -6.298 2.554 11.355 1.00 63.12 O ATOM 577 CB TRP A 37 -3.058 1.335 10.880 1.00 45.15 C ATOM 578 CG TRP A 37 -3.673 0.278 9.992 1.00 53.21 C ATOM 579 CD1 TRP A 37 -4.314 -0.870 10.378 1.00 32.41 C ATOM 580 CD2 TRP A 37 -3.702 0.283 8.558 1.00 1.02 C ATOM 581 NE1 TRP A 37 -4.745 -1.561 9.272 1.00 53.32 N ATOM 582 CE2 TRP A 37 -4.372 -0.880 8.145 1.00 3.35 C ATOM 583 CE3 TRP A 37 -3.222 1.160 7.580 1.00 32.22 C ATOM 584 CZ2 TRP A 37 -4.586 -1.182 6.805 1.00 64.52 C ATOM 585 CZ3 TRP A 37 -3.438 0.858 6.251 1.00 4.52 C ATOM 586 CH2 TRP A 37 -4.108 -0.306 5.873 1.00 11.00 C ATOM 0 H TRP A 37 -2.129 3.316 11.944 1.00 43.44 H new ATOM 0 HA TRP A 37 -4.205 2.991 10.050 1.00 73.34 H new ATOM 0 HB2 TRP A 37 -2.077 1.595 10.481 1.00 45.15 H new ATOM 0 HB3 TRP A 37 -2.896 0.906 11.869 1.00 45.15 H new ATOM 0 HD1 TRP A 37 -4.459 -1.185 11.401 1.00 32.41 H new ATOM 0 HE1 TRP A 37 -5.261 -2.441 9.288 1.00 53.32 H new ATOM 0 HE3 TRP A 37 -2.691 2.058 7.860 1.00 32.22 H new ATOM 0 HZ2 TRP A 37 -5.112 -2.078 6.511 1.00 64.52 H new ATOM 0 HZ3 TRP A 37 -3.082 1.535 5.489 1.00 4.52 H new ATOM 0 HH2 TRP A 37 -4.251 -0.518 4.824 1.00 11.00 H new ATOM 597 N LEU A 38 -4.993 2.137 13.164 1.00 34.14 N ATOM 598 CA LEU A 38 -6.097 1.832 14.097 1.00 64.54 C ATOM 599 C LEU A 38 -6.922 3.101 14.434 1.00 74.01 C ATOM 600 O LEU A 38 -8.074 2.995 14.860 1.00 72.30 O ATOM 601 CB LEU A 38 -5.542 1.163 15.391 1.00 61.23 C ATOM 602 CG LEU A 38 -4.746 -0.174 15.190 1.00 51.13 C ATOM 603 CD1 LEU A 38 -4.213 -0.723 16.533 1.00 75.45 C ATOM 604 CD2 LEU A 38 -5.582 -1.239 14.439 1.00 53.42 C ATOM 0 H LEU A 38 -4.072 2.121 13.602 1.00 34.14 H new ATOM 0 HA LEU A 38 -6.771 1.129 13.607 1.00 64.54 H new ATOM 0 HB2 LEU A 38 -4.891 1.878 15.894 1.00 61.23 H new ATOM 0 HB3 LEU A 38 -6.379 0.967 16.062 1.00 61.23 H new ATOM 0 HG LEU A 38 -3.886 0.060 14.563 1.00 51.13 H new ATOM 0 HD11 LEU A 38 -3.667 -1.650 16.356 1.00 75.45 H new ATOM 0 HD12 LEU A 38 -3.546 0.010 16.987 1.00 75.45 H new ATOM 0 HD13 LEU A 38 -5.049 -0.917 17.204 1.00 75.45 H new ATOM 0 HD21 LEU A 38 -4.992 -2.148 14.322 1.00 53.42 H new ATOM 0 HD22 LEU A 38 -6.484 -1.462 15.009 1.00 53.42 H new ATOM 0 HD23 LEU A 38 -5.859 -0.857 13.456 1.00 53.42 H new ATOM 616 N SER A 39 -6.318 4.290 14.233 1.00 65.32 N ATOM 617 CA SER A 39 -6.967 5.598 14.478 1.00 14.22 C ATOM 618 C SER A 39 -7.839 6.043 13.286 1.00 64.12 C ATOM 619 O SER A 39 -8.752 6.857 13.459 1.00 21.25 O ATOM 620 CB SER A 39 -5.890 6.681 14.775 1.00 44.13 C ATOM 621 OG SER A 39 -6.468 7.940 15.113 1.00 1.14 O ATOM 0 H SER A 39 -5.360 4.372 13.894 1.00 65.32 H new ATOM 0 HA SER A 39 -7.621 5.481 15.342 1.00 14.22 H new ATOM 0 HB2 SER A 39 -5.255 6.344 15.594 1.00 44.13 H new ATOM 0 HB3 SER A 39 -5.248 6.801 13.902 1.00 44.13 H new ATOM 0 HG SER A 39 -5.756 8.589 15.293 1.00 1.14 H new ATOM 627 N LEU A 40 -7.552 5.515 12.083 1.00 61.35 N ATOM 628 CA LEU A 40 -8.227 5.919 10.829 1.00 2.21 C ATOM 629 C LEU A 40 -9.325 4.913 10.443 1.00 50.32 C ATOM 630 O LEU A 40 -9.371 3.790 10.961 1.00 23.44 O ATOM 631 CB LEU A 40 -7.188 6.017 9.673 1.00 63.10 C ATOM 632 CG LEU A 40 -6.171 7.189 9.730 1.00 63.44 C ATOM 633 CD1 LEU A 40 -5.063 6.996 8.672 1.00 32.05 C ATOM 634 CD2 LEU A 40 -6.884 8.541 9.554 1.00 62.21 C ATOM 0 H LEU A 40 -6.844 4.793 11.949 1.00 61.35 H new ATOM 0 HA LEU A 40 -8.688 6.893 10.994 1.00 2.21 H new ATOM 0 HB2 LEU A 40 -6.626 5.083 9.644 1.00 63.10 H new ATOM 0 HB3 LEU A 40 -7.735 6.090 8.733 1.00 63.10 H new ATOM 0 HG LEU A 40 -5.700 7.190 10.713 1.00 63.44 H new ATOM 0 HD11 LEU A 40 -4.359 7.827 8.726 1.00 32.05 H new ATOM 0 HD12 LEU A 40 -4.536 6.061 8.863 1.00 32.05 H new ATOM 0 HD13 LEU A 40 -5.510 6.964 7.678 1.00 32.05 H new ATOM 0 HD21 LEU A 40 -6.152 9.347 9.597 1.00 62.21 H new ATOM 0 HD22 LEU A 40 -7.390 8.562 8.589 1.00 62.21 H new ATOM 0 HD23 LEU A 40 -7.616 8.673 10.351 1.00 62.21 H new ATOM 646 N LYS A 41 -10.183 5.335 9.498 1.00 72.23 N ATOM 647 CA LYS A 41 -11.226 4.493 8.882 1.00 2.44 C ATOM 648 C LYS A 41 -10.863 4.293 7.402 1.00 1.44 C ATOM 649 O LYS A 41 -10.350 5.220 6.768 1.00 25.54 O ATOM 650 CB LYS A 41 -12.614 5.166 9.012 1.00 33.31 C ATOM 651 CG LYS A 41 -13.010 5.538 10.454 1.00 11.04 C ATOM 652 CD LYS A 41 -14.455 6.068 10.553 1.00 70.04 C ATOM 653 CE LYS A 41 -15.498 4.987 10.230 1.00 1.12 C ATOM 654 NZ LYS A 41 -16.894 5.479 10.391 1.00 12.13 N ATOM 0 H LYS A 41 -10.172 6.288 9.134 1.00 72.23 H new ATOM 0 HA LYS A 41 -11.277 3.530 9.390 1.00 2.44 H new ATOM 0 HB2 LYS A 41 -12.625 6.069 8.401 1.00 33.31 H new ATOM 0 HB3 LYS A 41 -13.369 4.495 8.603 1.00 33.31 H new ATOM 0 HG2 LYS A 41 -12.903 4.662 11.094 1.00 11.04 H new ATOM 0 HG3 LYS A 41 -12.322 6.295 10.832 1.00 11.04 H new ATOM 0 HD2 LYS A 41 -14.631 6.450 11.559 1.00 70.04 H new ATOM 0 HD3 LYS A 41 -14.580 6.906 9.867 1.00 70.04 H new ATOM 0 HE2 LYS A 41 -15.353 4.641 9.207 1.00 1.12 H new ATOM 0 HE3 LYS A 41 -15.341 4.128 10.882 1.00 1.12 H new ATOM 0 HZ1 LYS A 41 -17.560 4.714 10.162 1.00 12.13 H new ATOM 0 HZ2 LYS A 41 -17.043 5.785 11.374 1.00 12.13 H new ATOM 0 HZ3 LYS A 41 -17.055 6.282 9.750 1.00 12.13 H new ATOM 668 N VAL A 42 -11.140 3.092 6.867 1.00 42.22 N ATOM 669 CA VAL A 42 -10.676 2.662 5.523 1.00 11.31 C ATOM 670 C VAL A 42 -11.308 3.532 4.417 1.00 32.42 C ATOM 671 O VAL A 42 -12.527 3.726 4.400 1.00 33.34 O ATOM 672 CB VAL A 42 -10.980 1.127 5.277 1.00 61.23 C ATOM 673 CG1 VAL A 42 -10.497 0.646 3.886 1.00 4.45 C ATOM 674 CG2 VAL A 42 -10.358 0.259 6.395 1.00 24.32 C ATOM 0 H VAL A 42 -11.693 2.385 7.351 1.00 42.22 H new ATOM 0 HA VAL A 42 -9.595 2.799 5.485 1.00 11.31 H new ATOM 0 HB VAL A 42 -12.064 1.011 5.300 1.00 61.23 H new ATOM 0 HG11 VAL A 42 -10.729 -0.412 3.766 1.00 4.45 H new ATOM 0 HG12 VAL A 42 -11.002 1.218 3.108 1.00 4.45 H new ATOM 0 HG13 VAL A 42 -9.420 0.793 3.804 1.00 4.45 H new ATOM 0 HG21 VAL A 42 -10.579 -0.791 6.206 1.00 24.32 H new ATOM 0 HG22 VAL A 42 -9.278 0.405 6.411 1.00 24.32 H new ATOM 0 HG23 VAL A 42 -10.778 0.550 7.358 1.00 24.32 H new ATOM 684 N ALA A 43 -10.469 4.036 3.494 1.00 43.34 N ATOM 685 CA ALA A 43 -10.913 4.929 2.412 1.00 55.55 C ATOM 686 C ALA A 43 -11.447 4.081 1.255 1.00 40.30 C ATOM 687 O ALA A 43 -12.510 4.364 0.697 1.00 43.23 O ATOM 688 CB ALA A 43 -9.750 5.822 1.952 1.00 21.53 C ATOM 0 H ALA A 43 -9.469 3.836 3.478 1.00 43.34 H new ATOM 0 HA ALA A 43 -11.710 5.580 2.771 1.00 55.55 H new ATOM 0 HB1 ALA A 43 -10.090 6.479 1.151 1.00 21.53 H new ATOM 0 HB2 ALA A 43 -9.400 6.424 2.791 1.00 21.53 H new ATOM 0 HB3 ALA A 43 -8.934 5.198 1.588 1.00 21.53 H new ATOM 694 N HIS A 44 -10.686 3.032 0.920 1.00 24.21 N ATOM 695 CA HIS A 44 -11.078 2.017 -0.067 1.00 51.42 C ATOM 696 C HIS A 44 -10.350 0.697 0.232 1.00 42.45 C ATOM 697 O HIS A 44 -9.289 0.700 0.852 1.00 21.14 O ATOM 698 CB HIS A 44 -10.751 2.512 -1.506 1.00 31.44 C ATOM 699 CG HIS A 44 -11.079 1.535 -2.610 1.00 73.14 C ATOM 700 ND1 HIS A 44 -12.367 1.354 -3.042 1.00 22.11 N ATOM 701 CD2 HIS A 44 -10.257 0.726 -3.325 1.00 5.30 C ATOM 702 CE1 HIS A 44 -12.305 0.448 -3.998 1.00 23.53 C ATOM 703 NE2 HIS A 44 -11.047 0.040 -4.203 1.00 52.11 N ATOM 0 H HIS A 44 -9.769 2.862 1.332 1.00 24.21 H new ATOM 0 HA HIS A 44 -12.153 1.847 -0.001 1.00 51.42 H new ATOM 0 HB2 HIS A 44 -11.297 3.438 -1.688 1.00 31.44 H new ATOM 0 HB3 HIS A 44 -9.689 2.752 -1.558 1.00 31.44 H new ATOM 0 HD1 HIS A 44 -13.203 1.824 -2.695 1.00 22.11 H new ATOM 0 HD2 HIS A 44 -9.185 0.641 -3.220 1.00 5.30 H new ATOM 0 HE1 HIS A 44 -13.161 0.082 -4.546 1.00 23.53 H new ATOM 711 N GLN A 45 -10.931 -0.419 -0.209 1.00 51.24 N ATOM 712 CA GLN A 45 -10.282 -1.729 -0.171 1.00 1.43 C ATOM 713 C GLN A 45 -10.651 -2.467 -1.460 1.00 74.54 C ATOM 714 O GLN A 45 -11.835 -2.629 -1.770 1.00 71.24 O ATOM 715 CB GLN A 45 -10.706 -2.548 1.079 1.00 64.42 C ATOM 716 CG GLN A 45 -9.828 -3.794 1.325 1.00 64.53 C ATOM 717 CD GLN A 45 -10.277 -4.641 2.518 1.00 11.12 C ATOM 718 OE1 GLN A 45 -11.469 -4.775 2.795 1.00 74.33 O ATOM 719 NE2 GLN A 45 -9.327 -5.185 3.255 1.00 44.32 N ATOM 0 H GLN A 45 -11.871 -0.439 -0.605 1.00 51.24 H new ATOM 0 HA GLN A 45 -9.202 -1.601 -0.099 1.00 1.43 H new ATOM 0 HB2 GLN A 45 -10.663 -1.904 1.957 1.00 64.42 H new ATOM 0 HB3 GLN A 45 -11.744 -2.861 0.964 1.00 64.42 H new ATOM 0 HG2 GLN A 45 -9.834 -4.414 0.428 1.00 64.53 H new ATOM 0 HG3 GLN A 45 -8.798 -3.475 1.485 1.00 64.53 H new ATOM 0 HE21 GLN A 45 -8.348 -5.057 3.001 1.00 44.32 H new ATOM 0 HE22 GLN A 45 -9.572 -5.734 4.079 1.00 44.32 H new ATOM 728 N GLN A 46 -9.628 -2.885 -2.208 1.00 63.54 N ATOM 729 CA GLN A 46 -9.772 -3.550 -3.510 1.00 42.23 C ATOM 730 C GLN A 46 -9.121 -4.933 -3.441 1.00 51.22 C ATOM 731 O GLN A 46 -7.982 -5.071 -2.991 1.00 34.32 O ATOM 732 CB GLN A 46 -9.127 -2.673 -4.633 1.00 30.42 C ATOM 733 CG GLN A 46 -7.701 -2.166 -4.319 1.00 33.03 C ATOM 734 CD GLN A 46 -7.067 -1.250 -5.378 1.00 20.34 C ATOM 735 OE1 GLN A 46 -6.279 -0.363 -5.049 1.00 12.13 O ATOM 736 NE2 GLN A 46 -7.374 -1.474 -6.646 1.00 50.41 N ATOM 0 H GLN A 46 -8.656 -2.770 -1.922 1.00 63.54 H new ATOM 0 HA GLN A 46 -10.828 -3.674 -3.751 1.00 42.23 H new ATOM 0 HB2 GLN A 46 -9.097 -3.253 -5.555 1.00 30.42 H new ATOM 0 HB3 GLN A 46 -9.771 -1.813 -4.818 1.00 30.42 H new ATOM 0 HG2 GLN A 46 -7.728 -1.629 -3.371 1.00 33.03 H new ATOM 0 HG3 GLN A 46 -7.052 -3.030 -4.178 1.00 33.03 H new ATOM 0 HE21 GLN A 46 -8.030 -2.216 -6.888 1.00 50.41 H new ATOM 0 HE22 GLN A 46 -6.954 -0.904 -7.381 1.00 50.41 H new ATOM 745 N VAL A 47 -9.867 -5.960 -3.848 1.00 71.31 N ATOM 746 CA VAL A 47 -9.377 -7.340 -3.909 1.00 52.20 C ATOM 747 C VAL A 47 -9.119 -7.689 -5.377 1.00 54.24 C ATOM 748 O VAL A 47 -9.969 -7.449 -6.243 1.00 24.53 O ATOM 749 CB VAL A 47 -10.401 -8.345 -3.254 1.00 12.25 C ATOM 750 CG1 VAL A 47 -9.963 -9.808 -3.450 1.00 54.24 C ATOM 751 CG2 VAL A 47 -10.613 -8.019 -1.751 1.00 63.33 C ATOM 0 H VAL A 47 -10.837 -5.858 -4.147 1.00 71.31 H new ATOM 0 HA VAL A 47 -8.452 -7.427 -3.339 1.00 52.20 H new ATOM 0 HB VAL A 47 -11.356 -8.222 -3.764 1.00 12.25 H new ATOM 0 HG11 VAL A 47 -10.693 -10.472 -2.986 1.00 54.24 H new ATOM 0 HG12 VAL A 47 -9.898 -10.029 -4.515 1.00 54.24 H new ATOM 0 HG13 VAL A 47 -8.988 -9.961 -2.988 1.00 54.24 H new ATOM 0 HG21 VAL A 47 -11.323 -8.726 -1.322 1.00 63.33 H new ATOM 0 HG22 VAL A 47 -9.662 -8.096 -1.224 1.00 63.33 H new ATOM 0 HG23 VAL A 47 -11.003 -7.006 -1.650 1.00 63.33 H new ATOM 761 N LEU A 48 -7.926 -8.223 -5.643 1.00 10.52 N ATOM 762 CA LEU A 48 -7.458 -8.601 -6.979 1.00 73.32 C ATOM 763 C LEU A 48 -7.101 -10.099 -6.980 1.00 42.15 C ATOM 764 O LEU A 48 -6.416 -10.558 -6.064 1.00 23.21 O ATOM 765 CB LEU A 48 -6.219 -7.743 -7.363 1.00 3.32 C ATOM 766 CG LEU A 48 -6.497 -6.224 -7.557 1.00 34.41 C ATOM 767 CD1 LEU A 48 -5.203 -5.456 -7.877 1.00 61.33 C ATOM 768 CD2 LEU A 48 -7.574 -5.995 -8.639 1.00 14.01 C ATOM 0 H LEU A 48 -7.238 -8.410 -4.914 1.00 10.52 H new ATOM 0 HA LEU A 48 -8.243 -8.421 -7.714 1.00 73.32 H new ATOM 0 HB2 LEU A 48 -5.462 -7.861 -6.588 1.00 3.32 H new ATOM 0 HB3 LEU A 48 -5.795 -8.139 -8.286 1.00 3.32 H new ATOM 0 HG LEU A 48 -6.883 -5.830 -6.617 1.00 34.41 H new ATOM 0 HD11 LEU A 48 -5.431 -4.398 -8.007 1.00 61.33 H new ATOM 0 HD12 LEU A 48 -4.496 -5.577 -7.057 1.00 61.33 H new ATOM 0 HD13 LEU A 48 -4.765 -5.848 -8.795 1.00 61.33 H new ATOM 0 HD21 LEU A 48 -7.751 -4.926 -8.756 1.00 14.01 H new ATOM 0 HD22 LEU A 48 -7.233 -6.412 -9.586 1.00 14.01 H new ATOM 0 HD23 LEU A 48 -8.500 -6.485 -8.340 1.00 14.01 H new ATOM 780 N PRO A 49 -7.562 -10.892 -7.997 1.00 62.45 N ATOM 781 CA PRO A 49 -7.195 -12.317 -8.107 1.00 71.51 C ATOM 782 C PRO A 49 -5.714 -12.448 -8.523 1.00 71.21 C ATOM 783 O PRO A 49 -5.375 -12.245 -9.691 1.00 54.15 O ATOM 784 CB PRO A 49 -8.170 -12.851 -9.194 1.00 1.31 C ATOM 785 CG PRO A 49 -8.493 -11.663 -10.050 1.00 1.34 C ATOM 786 CD PRO A 49 -8.453 -10.460 -9.123 1.00 72.32 C ATOM 0 HA PRO A 49 -7.282 -12.877 -7.176 1.00 71.51 H new ATOM 0 HB2 PRO A 49 -7.709 -13.645 -9.781 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -9.071 -13.269 -8.744 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -7.771 -11.557 -10.860 1.00 1.34 H new ATOM 0 HG3 PRO A 49 -9.475 -11.769 -10.511 1.00 1.34 H new ATOM 0 HD2 PRO A 49 -8.056 -9.580 -9.629 1.00 72.32 H new ATOM 0 HD3 PRO A 49 -9.449 -10.200 -8.765 1.00 72.32 H new ATOM 794 N TRP A 50 -4.821 -12.722 -7.557 1.00 12.24 N ATOM 795 CA TRP A 50 -3.391 -12.903 -7.864 1.00 32.22 C ATOM 796 C TRP A 50 -3.212 -14.252 -8.594 1.00 73.41 C ATOM 797 O TRP A 50 -4.005 -15.171 -8.394 1.00 52.12 O ATOM 798 CB TRP A 50 -2.517 -12.832 -6.581 1.00 71.52 C ATOM 799 CG TRP A 50 -1.047 -12.673 -6.905 1.00 34.24 C ATOM 800 CD1 TRP A 50 -0.121 -13.663 -7.082 1.00 43.14 C ATOM 801 CD2 TRP A 50 -0.356 -11.436 -7.140 1.00 2.25 C ATOM 802 NE1 TRP A 50 1.077 -13.117 -7.450 1.00 52.14 N ATOM 803 CE2 TRP A 50 0.967 -11.757 -7.471 1.00 51.22 C ATOM 804 CE3 TRP A 50 -0.729 -10.090 -7.103 1.00 23.23 C ATOM 805 CZ2 TRP A 50 1.922 -10.789 -7.769 1.00 64.45 C ATOM 806 CZ3 TRP A 50 0.223 -9.130 -7.391 1.00 10.44 C ATOM 807 CH2 TRP A 50 1.533 -9.482 -7.721 1.00 22.55 C ATOM 0 H TRP A 50 -5.059 -12.822 -6.570 1.00 12.24 H new ATOM 0 HA TRP A 50 -3.055 -12.092 -8.510 1.00 32.22 H new ATOM 0 HB2 TRP A 50 -2.845 -11.995 -5.965 1.00 71.52 H new ATOM 0 HB3 TRP A 50 -2.663 -13.738 -5.992 1.00 71.52 H new ATOM 0 HD1 TRP A 50 -0.308 -14.719 -6.951 1.00 43.14 H new ATOM 0 HE1 TRP A 50 1.921 -13.644 -7.674 1.00 52.14 H new ATOM 0 HE3 TRP A 50 -1.741 -9.805 -6.854 1.00 23.23 H new ATOM 0 HZ2 TRP A 50 2.934 -11.063 -8.029 1.00 64.45 H new ATOM 0 HZ3 TRP A 50 -0.052 -8.086 -7.360 1.00 10.44 H new ATOM 0 HH2 TRP A 50 2.251 -8.706 -7.942 1.00 22.55 H new ATOM 818 N ARG A 51 -2.197 -14.359 -9.462 1.00 1.14 N ATOM 819 CA ARG A 51 -1.976 -15.561 -10.286 1.00 71.21 C ATOM 820 C ARG A 51 -0.733 -16.318 -9.781 1.00 64.30 C ATOM 821 O ARG A 51 0.389 -15.894 -10.049 1.00 41.24 O ATOM 822 CB ARG A 51 -1.802 -15.190 -11.798 1.00 42.21 C ATOM 823 CG ARG A 51 -2.975 -14.404 -12.450 1.00 64.14 C ATOM 824 CD ARG A 51 -3.069 -12.924 -12.011 1.00 1.30 C ATOM 825 NE ARG A 51 -3.973 -12.113 -12.846 1.00 34.34 N ATOM 826 CZ ARG A 51 -5.306 -12.226 -12.921 1.00 53.15 C ATOM 827 NH1 ARG A 51 -5.983 -13.126 -12.215 1.00 73.12 N ATOM 828 NH2 ARG A 51 -5.970 -11.382 -13.682 1.00 10.25 N ATOM 0 H ARG A 51 -1.509 -13.622 -9.614 1.00 1.14 H new ATOM 0 HA ARG A 51 -2.853 -16.202 -10.197 1.00 71.21 H new ATOM 0 HB2 ARG A 51 -0.892 -14.599 -11.903 1.00 42.21 H new ATOM 0 HB3 ARG A 51 -1.651 -16.111 -12.362 1.00 42.21 H new ATOM 0 HG2 ARG A 51 -2.866 -14.443 -13.534 1.00 64.14 H new ATOM 0 HG3 ARG A 51 -3.912 -14.904 -12.206 1.00 64.14 H new ATOM 0 HD2 ARG A 51 -3.410 -12.882 -10.976 1.00 1.30 H new ATOM 0 HD3 ARG A 51 -2.073 -12.483 -12.036 1.00 1.30 H new ATOM 0 HE ARG A 51 -3.540 -11.393 -13.425 1.00 34.34 H new ATOM 0 HH11 ARG A 51 -5.487 -13.761 -11.589 1.00 73.12 H new ATOM 0 HH12 ARG A 51 -6.998 -13.182 -12.299 1.00 73.12 H new ATOM 0 HH21 ARG A 51 -5.469 -10.660 -14.200 1.00 10.25 H new ATOM 0 HH22 ARG A 51 -6.985 -11.450 -13.754 1.00 10.25 H new ATOM 842 N GLY A 52 -0.974 -17.406 -9.017 1.00 64.20 N ATOM 843 CA GLY A 52 0.046 -18.396 -8.630 1.00 53.21 C ATOM 844 C GLY A 52 1.357 -17.820 -8.088 1.00 11.04 C ATOM 845 O GLY A 52 1.496 -17.598 -6.878 1.00 25.40 O ATOM 0 H GLY A 52 -1.900 -17.621 -8.647 1.00 64.20 H new ATOM 0 HA2 GLY A 52 -0.381 -19.054 -7.873 1.00 53.21 H new ATOM 0 HA3 GLY A 52 0.274 -19.015 -9.498 1.00 53.21 H new ATOM 849 N GLU A 53 2.311 -17.587 -9.012 1.00 32.14 N ATOM 850 CA GLU A 53 3.652 -17.082 -8.699 1.00 62.23 C ATOM 851 C GLU A 53 3.593 -15.637 -8.194 1.00 31.10 C ATOM 852 O GLU A 53 3.231 -14.706 -8.930 1.00 74.02 O ATOM 853 CB GLU A 53 4.579 -17.194 -9.944 1.00 64.02 C ATOM 854 CG GLU A 53 4.843 -18.642 -10.410 1.00 71.50 C ATOM 855 CD GLU A 53 5.420 -19.535 -9.293 1.00 43.31 C ATOM 856 OE1 GLU A 53 6.636 -19.440 -9.012 1.00 52.43 O ATOM 857 OE2 GLU A 53 4.660 -20.322 -8.672 1.00 41.41 O ATOM 0 H GLU A 53 2.164 -17.748 -10.008 1.00 32.14 H new ATOM 0 HA GLU A 53 4.069 -17.697 -7.901 1.00 62.23 H new ATOM 0 HB2 GLU A 53 4.132 -16.636 -10.767 1.00 64.02 H new ATOM 0 HB3 GLU A 53 5.533 -16.718 -9.716 1.00 64.02 H new ATOM 0 HG2 GLU A 53 3.912 -19.078 -10.772 1.00 71.50 H new ATOM 0 HG3 GLU A 53 5.536 -18.627 -11.251 1.00 71.50 H new ATOM 864 N PHE A 54 3.914 -15.487 -6.909 1.00 15.12 N ATOM 865 CA PHE A 54 3.984 -14.200 -6.226 1.00 62.04 C ATOM 866 C PHE A 54 5.445 -13.853 -5.941 1.00 53.33 C ATOM 867 O PHE A 54 6.186 -14.664 -5.384 1.00 53.22 O ATOM 868 CB PHE A 54 3.174 -14.252 -4.914 1.00 62.33 C ATOM 869 CG PHE A 54 3.273 -12.979 -4.080 1.00 4.52 C ATOM 870 CD1 PHE A 54 2.872 -11.759 -4.609 1.00 21.45 C ATOM 871 CD2 PHE A 54 3.777 -12.997 -2.790 1.00 22.31 C ATOM 872 CE1 PHE A 54 2.962 -10.600 -3.886 1.00 33.53 C ATOM 873 CE2 PHE A 54 3.869 -11.841 -2.065 1.00 25.23 C ATOM 874 CZ PHE A 54 3.461 -10.640 -2.612 1.00 12.34 C ATOM 0 H PHE A 54 4.137 -16.276 -6.302 1.00 15.12 H new ATOM 0 HA PHE A 54 3.555 -13.427 -6.864 1.00 62.04 H new ATOM 0 HB2 PHE A 54 2.127 -14.439 -5.151 1.00 62.33 H new ATOM 0 HB3 PHE A 54 3.521 -15.095 -4.316 1.00 62.33 H new ATOM 0 HD1 PHE A 54 2.480 -11.724 -5.615 1.00 21.45 H new ATOM 0 HD2 PHE A 54 4.100 -13.931 -2.353 1.00 22.31 H new ATOM 0 HE1 PHE A 54 2.642 -9.663 -4.317 1.00 33.53 H new ATOM 0 HE2 PHE A 54 4.263 -11.867 -1.060 1.00 25.23 H new ATOM 0 HZ PHE A 54 3.536 -9.731 -2.034 1.00 12.34 H new ATOM 884 N HIS A 55 5.861 -12.650 -6.350 1.00 33.33 N ATOM 885 CA HIS A 55 7.213 -12.135 -6.105 1.00 74.11 C ATOM 886 C HIS A 55 7.124 -10.808 -5.317 1.00 64.21 C ATOM 887 O HIS A 55 6.895 -9.750 -5.908 1.00 55.42 O ATOM 888 CB HIS A 55 7.983 -11.974 -7.447 1.00 41.43 C ATOM 889 CG HIS A 55 8.391 -13.277 -8.116 1.00 23.31 C ATOM 890 ND1 HIS A 55 9.661 -13.503 -8.601 1.00 64.32 N ATOM 891 CD2 HIS A 55 7.694 -14.412 -8.397 1.00 63.12 C ATOM 892 CE1 HIS A 55 9.726 -14.709 -9.140 1.00 45.34 C ATOM 893 NE2 HIS A 55 8.546 -15.278 -9.030 1.00 0.25 N ATOM 0 H HIS A 55 5.265 -12.001 -6.864 1.00 33.33 H new ATOM 0 HA HIS A 55 7.776 -12.846 -5.500 1.00 74.11 H new ATOM 0 HB2 HIS A 55 7.361 -11.407 -8.139 1.00 41.43 H new ATOM 0 HB3 HIS A 55 8.879 -11.381 -7.265 1.00 41.43 H new ATOM 0 HD2 HIS A 55 6.656 -14.597 -8.163 1.00 63.12 H new ATOM 0 HE1 HIS A 55 10.600 -15.151 -9.594 1.00 45.34 H new ATOM 0 HE2 HIS A 55 8.304 -16.212 -9.362 1.00 0.25 H new ATOM 902 N PRO A 56 7.254 -10.860 -3.943 1.00 14.14 N ATOM 903 CA PRO A 56 7.200 -9.653 -3.078 1.00 1.15 C ATOM 904 C PRO A 56 8.446 -8.766 -3.235 1.00 50.24 C ATOM 905 O PRO A 56 8.393 -7.569 -2.969 1.00 73.13 O ATOM 906 CB PRO A 56 7.099 -10.239 -1.651 1.00 43.13 C ATOM 907 CG PRO A 56 7.742 -11.587 -1.738 1.00 1.44 C ATOM 908 CD PRO A 56 7.445 -12.100 -3.127 1.00 4.01 C ATOM 0 HA PRO A 56 6.367 -8.998 -3.333 1.00 1.15 H new ATOM 0 HB2 PRO A 56 7.610 -9.604 -0.927 1.00 43.13 H new ATOM 0 HB3 PRO A 56 6.060 -10.317 -1.329 1.00 43.13 H new ATOM 0 HG2 PRO A 56 8.817 -11.519 -1.569 1.00 1.44 H new ATOM 0 HG3 PRO A 56 7.342 -12.260 -0.980 1.00 1.44 H new ATOM 0 HD2 PRO A 56 8.265 -12.707 -3.511 1.00 4.01 H new ATOM 0 HD3 PRO A 56 6.552 -12.726 -3.138 1.00 4.01 H new ATOM 916 N ASP A 57 9.554 -9.390 -3.661 1.00 22.42 N ATOM 917 CA ASP A 57 10.817 -8.694 -3.961 1.00 73.33 C ATOM 918 C ASP A 57 10.626 -7.791 -5.196 1.00 2.25 C ATOM 919 O ASP A 57 10.991 -6.612 -5.180 1.00 61.24 O ATOM 920 CB ASP A 57 11.955 -9.721 -4.209 1.00 15.14 C ATOM 921 CG ASP A 57 12.126 -10.715 -3.049 1.00 40.55 C ATOM 922 OD1 ASP A 57 11.378 -11.718 -3.010 1.00 44.32 O ATOM 923 OD2 ASP A 57 12.995 -10.503 -2.172 1.00 62.11 O ATOM 0 H ASP A 57 9.601 -10.398 -3.808 1.00 22.42 H new ATOM 0 HA ASP A 57 11.097 -8.076 -3.108 1.00 73.33 H new ATOM 0 HB2 ASP A 57 11.747 -10.272 -5.126 1.00 15.14 H new ATOM 0 HB3 ASP A 57 12.892 -9.187 -4.364 1.00 15.14 H new ATOM 928 N THR A 58 9.995 -8.370 -6.238 1.00 51.04 N ATOM 929 CA THR A 58 9.676 -7.672 -7.498 1.00 61.33 C ATOM 930 C THR A 58 8.658 -6.546 -7.242 1.00 23.54 C ATOM 931 O THR A 58 8.790 -5.435 -7.772 1.00 63.24 O ATOM 932 CB THR A 58 9.106 -8.675 -8.551 1.00 73.30 C ATOM 933 OG1 THR A 58 9.993 -9.806 -8.657 1.00 71.32 O ATOM 934 CG2 THR A 58 8.909 -8.032 -9.944 1.00 64.12 C ATOM 0 H THR A 58 9.690 -9.343 -6.227 1.00 51.04 H new ATOM 0 HA THR A 58 10.595 -7.237 -7.891 1.00 61.33 H new ATOM 0 HB THR A 58 8.122 -8.990 -8.205 1.00 73.30 H new ATOM 0 HG1 THR A 58 9.638 -10.439 -9.316 1.00 71.32 H new ATOM 0 HG21 THR A 58 8.511 -8.775 -10.635 1.00 64.12 H new ATOM 0 HG22 THR A 58 8.210 -7.199 -9.865 1.00 64.12 H new ATOM 0 HG23 THR A 58 9.867 -7.668 -10.315 1.00 64.12 H new ATOM 942 N LEU A 59 7.676 -6.865 -6.379 1.00 60.42 N ATOM 943 CA LEU A 59 6.630 -5.936 -5.937 1.00 14.34 C ATOM 944 C LEU A 59 7.252 -4.729 -5.216 1.00 31.14 C ATOM 945 O LEU A 59 6.952 -3.591 -5.560 1.00 71.11 O ATOM 946 CB LEU A 59 5.616 -6.676 -5.015 1.00 74.45 C ATOM 947 CG LEU A 59 4.450 -5.826 -4.405 1.00 0.12 C ATOM 948 CD1 LEU A 59 3.583 -5.147 -5.497 1.00 54.45 C ATOM 949 CD2 LEU A 59 3.591 -6.697 -3.459 1.00 5.13 C ATOM 0 H LEU A 59 7.589 -7.793 -5.964 1.00 60.42 H new ATOM 0 HA LEU A 59 6.094 -5.564 -6.810 1.00 14.34 H new ATOM 0 HB2 LEU A 59 5.175 -7.494 -5.585 1.00 74.45 H new ATOM 0 HB3 LEU A 59 6.173 -7.125 -4.192 1.00 74.45 H new ATOM 0 HG LEU A 59 4.897 -5.020 -3.823 1.00 0.12 H new ATOM 0 HD11 LEU A 59 2.789 -4.570 -5.024 1.00 54.45 H new ATOM 0 HD12 LEU A 59 4.206 -4.483 -6.096 1.00 54.45 H new ATOM 0 HD13 LEU A 59 3.144 -5.910 -6.139 1.00 54.45 H new ATOM 0 HD21 LEU A 59 2.784 -6.094 -3.042 1.00 5.13 H new ATOM 0 HD22 LEU A 59 3.168 -7.532 -4.017 1.00 5.13 H new ATOM 0 HD23 LEU A 59 4.214 -7.079 -2.650 1.00 5.13 H new ATOM 961 N GLN A 60 8.177 -5.010 -4.274 1.00 70.01 N ATOM 962 CA GLN A 60 8.813 -3.984 -3.416 1.00 52.24 C ATOM 963 C GLN A 60 9.668 -3.030 -4.277 1.00 42.24 C ATOM 964 O GLN A 60 9.594 -1.808 -4.111 1.00 14.11 O ATOM 965 CB GLN A 60 9.665 -4.673 -2.296 1.00 14.33 C ATOM 966 CG GLN A 60 9.813 -3.866 -0.977 1.00 4.31 C ATOM 967 CD GLN A 60 10.717 -2.637 -1.073 1.00 52.24 C ATOM 968 OE1 GLN A 60 11.927 -2.727 -0.893 1.00 4.13 O ATOM 969 NE2 GLN A 60 10.133 -1.485 -1.320 1.00 54.03 N ATOM 0 H GLN A 60 8.506 -5.957 -4.085 1.00 70.01 H new ATOM 0 HA GLN A 60 8.041 -3.389 -2.928 1.00 52.24 H new ATOM 0 HB2 GLN A 60 9.214 -5.638 -2.063 1.00 14.33 H new ATOM 0 HB3 GLN A 60 10.660 -4.874 -2.692 1.00 14.33 H new ATOM 0 HG2 GLN A 60 8.823 -3.547 -0.651 1.00 4.31 H new ATOM 0 HG3 GLN A 60 10.205 -4.528 -0.205 1.00 4.31 H new ATOM 0 HE21 GLN A 60 9.124 -1.445 -1.465 1.00 54.03 H new ATOM 0 HE22 GLN A 60 10.689 -0.631 -1.367 1.00 54.03 H new ATOM 978 N MET A 61 10.439 -3.604 -5.227 1.00 55.12 N ATOM 979 CA MET A 61 11.280 -2.827 -6.166 1.00 5.01 C ATOM 980 C MET A 61 10.414 -1.961 -7.100 1.00 14.00 C ATOM 981 O MET A 61 10.780 -0.823 -7.413 1.00 11.45 O ATOM 982 CB MET A 61 12.202 -3.765 -6.994 1.00 25.11 C ATOM 983 CG MET A 61 13.272 -4.481 -6.162 1.00 74.20 C ATOM 984 SD MET A 61 14.379 -5.509 -7.157 1.00 74.35 S ATOM 985 CE MET A 61 13.265 -6.753 -7.822 1.00 13.34 C ATOM 0 H MET A 61 10.496 -4.613 -5.365 1.00 55.12 H new ATOM 0 HA MET A 61 11.910 -2.163 -5.574 1.00 5.01 H new ATOM 0 HB2 MET A 61 11.587 -4.512 -7.496 1.00 25.11 H new ATOM 0 HB3 MET A 61 12.693 -3.181 -7.773 1.00 25.11 H new ATOM 0 HG2 MET A 61 13.862 -3.739 -5.624 1.00 74.20 H new ATOM 0 HG3 MET A 61 12.784 -5.104 -5.413 1.00 74.20 H new ATOM 0 HE1 MET A 61 13.842 -7.514 -8.348 1.00 13.34 H new ATOM 0 HE2 MET A 61 12.710 -7.217 -7.007 1.00 13.34 H new ATOM 0 HE3 MET A 61 12.567 -6.283 -8.515 1.00 13.34 H new ATOM 995 N ALA A 62 9.247 -2.492 -7.505 1.00 75.31 N ATOM 996 CA ALA A 62 8.281 -1.762 -8.345 1.00 35.02 C ATOM 997 C ALA A 62 7.652 -0.596 -7.551 1.00 35.04 C ATOM 998 O ALA A 62 7.441 0.498 -8.092 1.00 63.23 O ATOM 999 CB ALA A 62 7.198 -2.721 -8.863 1.00 20.40 C ATOM 0 H ALA A 62 8.948 -3.436 -7.260 1.00 75.31 H new ATOM 0 HA ALA A 62 8.806 -1.343 -9.204 1.00 35.02 H new ATOM 0 HB1 ALA A 62 6.490 -2.170 -9.482 1.00 20.40 H new ATOM 0 HB2 ALA A 62 7.663 -3.509 -9.456 1.00 20.40 H new ATOM 0 HB3 ALA A 62 6.672 -3.166 -8.018 1.00 20.40 H new ATOM 1005 N LEU A 63 7.407 -0.843 -6.241 1.00 71.40 N ATOM 1006 CA LEU A 63 6.889 0.172 -5.302 1.00 11.14 C ATOM 1007 C LEU A 63 7.885 1.339 -5.178 1.00 60.35 C ATOM 1008 O LEU A 63 7.479 2.497 -5.145 1.00 1.44 O ATOM 1009 CB LEU A 63 6.587 -0.460 -3.908 1.00 61.14 C ATOM 1010 CG LEU A 63 5.426 -1.506 -3.880 1.00 60.11 C ATOM 1011 CD1 LEU A 63 5.367 -2.252 -2.531 1.00 35.33 C ATOM 1012 CD2 LEU A 63 4.069 -0.855 -4.235 1.00 64.04 C ATOM 0 H LEU A 63 7.564 -1.754 -5.809 1.00 71.40 H new ATOM 0 HA LEU A 63 5.951 0.562 -5.696 1.00 11.14 H new ATOM 0 HB2 LEU A 63 7.494 -0.941 -3.542 1.00 61.14 H new ATOM 0 HB3 LEU A 63 6.347 0.342 -3.209 1.00 61.14 H new ATOM 0 HG LEU A 63 5.638 -2.249 -4.648 1.00 60.11 H new ATOM 0 HD11 LEU A 63 4.548 -2.971 -2.548 1.00 35.33 H new ATOM 0 HD12 LEU A 63 6.307 -2.777 -2.364 1.00 35.33 H new ATOM 0 HD13 LEU A 63 5.204 -1.536 -1.726 1.00 35.33 H new ATOM 0 HD21 LEU A 63 3.284 -1.611 -4.206 1.00 64.04 H new ATOM 0 HD22 LEU A 63 3.843 -0.069 -3.514 1.00 64.04 H new ATOM 0 HD23 LEU A 63 4.122 -0.425 -5.235 1.00 64.04 H new ATOM 1024 N GLN A 64 9.194 1.016 -5.163 1.00 2.22 N ATOM 1025 CA GLN A 64 10.273 2.028 -5.171 1.00 70.43 C ATOM 1026 C GLN A 64 10.200 2.936 -6.411 1.00 31.53 C ATOM 1027 O GLN A 64 10.372 4.154 -6.294 1.00 14.10 O ATOM 1028 CB GLN A 64 11.674 1.355 -5.079 1.00 30.05 C ATOM 1029 CG GLN A 64 11.866 0.472 -3.832 1.00 54.45 C ATOM 1030 CD GLN A 64 11.640 1.220 -2.511 1.00 35.12 C ATOM 1031 OE1 GLN A 64 12.575 1.746 -1.910 1.00 13.14 O ATOM 1032 NE2 GLN A 64 10.390 1.273 -2.055 1.00 13.20 N ATOM 0 H GLN A 64 9.533 0.054 -5.145 1.00 2.22 H new ATOM 0 HA GLN A 64 10.127 2.653 -4.290 1.00 70.43 H new ATOM 0 HB2 GLN A 64 11.832 0.747 -5.970 1.00 30.05 H new ATOM 0 HB3 GLN A 64 12.439 2.131 -5.083 1.00 30.05 H new ATOM 0 HG2 GLN A 64 11.178 -0.372 -3.885 1.00 54.45 H new ATOM 0 HG3 GLN A 64 12.876 0.061 -3.840 1.00 54.45 H new ATOM 0 HE21 GLN A 64 9.637 0.826 -2.578 1.00 13.20 H new ATOM 0 HE22 GLN A 64 10.186 1.761 -1.183 1.00 13.20 H new ATOM 1041 N VAL A 65 9.881 2.349 -7.587 1.00 1.01 N ATOM 1042 CA VAL A 65 9.767 3.096 -8.860 1.00 44.42 C ATOM 1043 C VAL A 65 8.610 4.130 -8.794 1.00 53.21 C ATOM 1044 O VAL A 65 8.696 5.212 -9.391 1.00 5.04 O ATOM 1045 CB VAL A 65 9.565 2.103 -10.079 1.00 3.34 C ATOM 1046 CG1 VAL A 65 9.411 2.848 -11.428 1.00 62.52 C ATOM 1047 CG2 VAL A 65 10.721 1.070 -10.147 1.00 1.40 C ATOM 0 H VAL A 65 9.696 1.350 -7.680 1.00 1.01 H new ATOM 0 HA VAL A 65 10.698 3.641 -9.016 1.00 44.42 H new ATOM 0 HB VAL A 65 8.631 1.569 -9.903 1.00 3.34 H new ATOM 0 HG11 VAL A 65 9.275 2.123 -12.231 1.00 62.52 H new ATOM 0 HG12 VAL A 65 8.543 3.506 -11.383 1.00 62.52 H new ATOM 0 HG13 VAL A 65 10.306 3.440 -11.621 1.00 62.52 H new ATOM 0 HG21 VAL A 65 10.561 0.399 -10.991 1.00 1.40 H new ATOM 0 HG22 VAL A 65 11.669 1.593 -10.274 1.00 1.40 H new ATOM 0 HG23 VAL A 65 10.747 0.491 -9.224 1.00 1.40 H new ATOM 1057 N VAL A 66 7.561 3.810 -8.011 1.00 13.25 N ATOM 1058 CA VAL A 66 6.379 4.685 -7.842 1.00 31.05 C ATOM 1059 C VAL A 66 6.354 5.369 -6.456 1.00 30.01 C ATOM 1060 O VAL A 66 5.290 5.825 -6.004 1.00 55.43 O ATOM 1061 CB VAL A 66 5.057 3.882 -8.102 1.00 54.21 C ATOM 1062 CG1 VAL A 66 4.996 3.392 -9.565 1.00 55.20 C ATOM 1063 CG2 VAL A 66 4.907 2.705 -7.114 1.00 74.32 C ATOM 0 H VAL A 66 7.507 2.942 -7.479 1.00 13.25 H new ATOM 0 HA VAL A 66 6.452 5.480 -8.584 1.00 31.05 H new ATOM 0 HB VAL A 66 4.218 4.557 -7.933 1.00 54.21 H new ATOM 0 HG11 VAL A 66 4.071 2.837 -9.725 1.00 55.20 H new ATOM 0 HG12 VAL A 66 5.026 4.249 -10.237 1.00 55.20 H new ATOM 0 HG13 VAL A 66 5.848 2.743 -9.767 1.00 55.20 H new ATOM 0 HG21 VAL A 66 3.980 2.171 -7.323 1.00 74.32 H new ATOM 0 HG22 VAL A 66 5.751 2.025 -7.227 1.00 74.32 H new ATOM 0 HG23 VAL A 66 4.883 3.087 -6.094 1.00 74.32 H new ATOM 1073 N ASN A 67 7.542 5.450 -5.802 1.00 61.44 N ATOM 1074 CA ASN A 67 7.767 6.284 -4.587 1.00 12.40 C ATOM 1075 C ASN A 67 6.915 5.848 -3.371 1.00 14.32 C ATOM 1076 O ASN A 67 6.626 6.656 -2.476 1.00 22.02 O ATOM 1077 CB ASN A 67 7.533 7.787 -4.924 1.00 24.23 C ATOM 1078 CG ASN A 67 8.564 8.359 -5.903 1.00 54.45 C ATOM 1079 OD1 ASN A 67 9.737 7.986 -5.880 1.00 43.02 O ATOM 1080 ND2 ASN A 67 8.140 9.259 -6.770 1.00 50.24 N ATOM 0 H ASN A 67 8.373 4.939 -6.101 1.00 61.44 H new ATOM 0 HA ASN A 67 8.804 6.134 -4.288 1.00 12.40 H new ATOM 0 HB2 ASN A 67 6.536 7.906 -5.348 1.00 24.23 H new ATOM 0 HB3 ASN A 67 7.558 8.367 -4.001 1.00 24.23 H new ATOM 0 HD21 ASN A 67 8.790 9.664 -7.444 1.00 50.24 H new ATOM 0 HD22 ASN A 67 7.162 9.550 -6.766 1.00 50.24 H new ATOM 1087 N ILE A 68 6.563 4.561 -3.333 1.00 14.32 N ATOM 1088 CA ILE A 68 5.859 3.948 -2.204 1.00 11.14 C ATOM 1089 C ILE A 68 6.907 3.412 -1.208 1.00 21.21 C ATOM 1090 O ILE A 68 7.603 2.419 -1.483 1.00 12.00 O ATOM 1091 CB ILE A 68 4.894 2.796 -2.682 1.00 1.32 C ATOM 1092 CG1 ILE A 68 3.810 3.345 -3.666 1.00 44.25 C ATOM 1093 CG2 ILE A 68 4.241 2.069 -1.483 1.00 34.00 C ATOM 1094 CD1 ILE A 68 2.880 4.395 -3.081 1.00 2.13 C ATOM 0 H ILE A 68 6.760 3.909 -4.092 1.00 14.32 H new ATOM 0 HA ILE A 68 5.236 4.698 -1.717 1.00 11.14 H new ATOM 0 HB ILE A 68 5.497 2.064 -3.219 1.00 1.32 H new ATOM 0 HG12 ILE A 68 4.312 3.771 -4.535 1.00 44.25 H new ATOM 0 HG13 ILE A 68 3.209 2.509 -4.023 1.00 44.25 H new ATOM 0 HG21 ILE A 68 3.583 1.282 -1.850 1.00 34.00 H new ATOM 0 HG22 ILE A 68 5.018 1.630 -0.857 1.00 34.00 H new ATOM 0 HG23 ILE A 68 3.662 2.782 -0.896 1.00 34.00 H new ATOM 0 HD11 ILE A 68 2.165 4.712 -3.841 1.00 2.13 H new ATOM 0 HD12 ILE A 68 2.343 3.973 -2.231 1.00 2.13 H new ATOM 0 HD13 ILE A 68 3.463 5.254 -2.751 1.00 2.13 H new ATOM 1106 N GLN A 69 7.016 4.109 -0.074 1.00 11.44 N ATOM 1107 CA GLN A 69 7.960 3.797 1.008 1.00 73.43 C ATOM 1108 C GLN A 69 7.413 2.584 1.797 1.00 31.31 C ATOM 1109 O GLN A 69 6.336 2.657 2.375 1.00 31.44 O ATOM 1110 CB GLN A 69 8.130 5.095 1.869 1.00 44.31 C ATOM 1111 CG GLN A 69 9.112 5.046 3.065 1.00 3.13 C ATOM 1112 CD GLN A 69 8.518 4.472 4.357 1.00 34.03 C ATOM 1113 OE1 GLN A 69 8.630 3.281 4.639 1.00 22.32 O ATOM 1114 NE2 GLN A 69 7.853 5.321 5.130 1.00 55.12 N ATOM 0 H GLN A 69 6.438 4.926 0.124 1.00 11.44 H new ATOM 0 HA GLN A 69 8.948 3.511 0.648 1.00 73.43 H new ATOM 0 HB2 GLN A 69 8.451 5.897 1.205 1.00 44.31 H new ATOM 0 HB3 GLN A 69 7.148 5.373 2.253 1.00 44.31 H new ATOM 0 HG2 GLN A 69 9.978 4.448 2.782 1.00 3.13 H new ATOM 0 HG3 GLN A 69 9.472 6.055 3.264 1.00 3.13 H new ATOM 0 HE21 GLN A 69 7.781 6.303 4.864 1.00 55.12 H new ATOM 0 HE22 GLN A 69 7.414 4.992 5.990 1.00 55.12 H new ATOM 1123 N THR A 70 8.165 1.470 1.817 1.00 23.33 N ATOM 1124 CA THR A 70 7.683 0.188 2.374 1.00 34.23 C ATOM 1125 C THR A 70 8.053 0.102 3.862 1.00 33.11 C ATOM 1126 O THR A 70 9.235 0.009 4.199 1.00 62.31 O ATOM 1127 CB THR A 70 8.288 -1.019 1.577 1.00 35.21 C ATOM 1128 OG1 THR A 70 7.853 -0.944 0.208 1.00 65.52 O ATOM 1129 CG2 THR A 70 7.900 -2.395 2.165 1.00 43.22 C ATOM 0 H THR A 70 9.116 1.429 1.452 1.00 23.33 H new ATOM 0 HA THR A 70 6.598 0.141 2.279 1.00 34.23 H new ATOM 0 HB THR A 70 9.373 -0.940 1.650 1.00 35.21 H new ATOM 0 HG1 THR A 70 7.492 -1.812 -0.068 1.00 65.52 H new ATOM 0 HG21 THR A 70 8.351 -3.187 1.567 1.00 43.22 H new ATOM 0 HG22 THR A 70 8.259 -2.466 3.192 1.00 43.22 H new ATOM 0 HG23 THR A 70 6.816 -2.504 2.152 1.00 43.22 H new ATOM 1137 N ILE A 71 7.036 0.158 4.743 1.00 71.13 N ATOM 1138 CA ILE A 71 7.224 0.092 6.205 1.00 21.10 C ATOM 1139 C ILE A 71 7.717 -1.310 6.585 1.00 63.34 C ATOM 1140 O ILE A 71 8.811 -1.478 7.125 1.00 62.25 O ATOM 1141 CB ILE A 71 5.875 0.421 6.967 1.00 13.52 C ATOM 1142 CG1 ILE A 71 5.336 1.824 6.557 1.00 54.04 C ATOM 1143 CG2 ILE A 71 6.029 0.310 8.510 1.00 24.13 C ATOM 1144 CD1 ILE A 71 6.220 2.982 6.964 1.00 13.22 C ATOM 0 H ILE A 71 6.060 0.250 4.461 1.00 71.13 H new ATOM 0 HA ILE A 71 7.964 0.836 6.500 1.00 21.10 H new ATOM 0 HB ILE A 71 5.144 -0.330 6.667 1.00 13.52 H new ATOM 0 HG12 ILE A 71 5.205 1.847 5.475 1.00 54.04 H new ATOM 0 HG13 ILE A 71 4.350 1.964 7.000 1.00 54.04 H new ATOM 0 HG21 ILE A 71 5.078 0.545 8.988 1.00 24.13 H new ATOM 0 HG22 ILE A 71 6.327 -0.705 8.774 1.00 24.13 H new ATOM 0 HG23 ILE A 71 6.790 1.012 8.851 1.00 24.13 H new ATOM 0 HD11 ILE A 71 5.767 3.918 6.638 1.00 13.22 H new ATOM 0 HD12 ILE A 71 6.331 2.991 8.048 1.00 13.22 H new ATOM 0 HD13 ILE A 71 7.200 2.872 6.500 1.00 13.22 H new ATOM 1156 N ALA A 72 6.909 -2.313 6.233 1.00 0.03 N ATOM 1157 CA ALA A 72 7.195 -3.724 6.521 1.00 21.22 C ATOM 1158 C ALA A 72 6.737 -4.581 5.338 1.00 61.12 C ATOM 1159 O ALA A 72 5.906 -4.140 4.533 1.00 24.21 O ATOM 1160 CB ALA A 72 6.506 -4.156 7.830 1.00 24.21 C ATOM 0 H ALA A 72 6.030 -2.169 5.736 1.00 0.03 H new ATOM 0 HA ALA A 72 8.268 -3.862 6.657 1.00 21.22 H new ATOM 0 HB1 ALA A 72 6.728 -5.204 8.029 1.00 24.21 H new ATOM 0 HB2 ALA A 72 6.874 -3.544 8.654 1.00 24.21 H new ATOM 0 HB3 ALA A 72 5.428 -4.025 7.734 1.00 24.21 H new ATOM 1166 N MET A 73 7.313 -5.781 5.219 1.00 52.41 N ATOM 1167 CA MET A 73 6.944 -6.749 4.179 1.00 31.12 C ATOM 1168 C MET A 73 7.339 -8.169 4.623 1.00 1.32 C ATOM 1169 O MET A 73 8.439 -8.372 5.141 1.00 3.21 O ATOM 1170 CB MET A 73 7.610 -6.364 2.816 1.00 13.43 C ATOM 1171 CG MET A 73 7.332 -7.339 1.661 1.00 41.13 C ATOM 1172 SD MET A 73 7.698 -6.650 0.031 1.00 24.13 S ATOM 1173 CE MET A 73 6.429 -5.386 -0.136 1.00 43.34 C ATOM 0 H MET A 73 8.050 -6.110 5.842 1.00 52.41 H new ATOM 0 HA MET A 73 5.864 -6.729 4.033 1.00 31.12 H new ATOM 0 HB2 MET A 73 7.263 -5.372 2.526 1.00 13.43 H new ATOM 0 HB3 MET A 73 8.688 -6.295 2.962 1.00 13.43 H new ATOM 0 HG2 MET A 73 7.926 -8.241 1.807 1.00 41.13 H new ATOM 0 HG3 MET A 73 6.284 -7.638 1.693 1.00 41.13 H new ATOM 0 HE1 MET A 73 6.303 -5.134 -1.189 1.00 43.34 H new ATOM 0 HE2 MET A 73 5.487 -5.761 0.263 1.00 43.34 H new ATOM 0 HE3 MET A 73 6.728 -4.495 0.417 1.00 43.34 H new ATOM 1183 N SER A 74 6.435 -9.147 4.417 1.00 21.22 N ATOM 1184 CA SER A 74 6.723 -10.568 4.675 1.00 12.15 C ATOM 1185 C SER A 74 7.548 -11.154 3.512 1.00 52.05 C ATOM 1186 O SER A 74 7.766 -10.489 2.488 1.00 45.54 O ATOM 1187 CB SER A 74 5.407 -11.352 4.889 1.00 13.14 C ATOM 1188 OG SER A 74 4.679 -10.838 5.988 1.00 43.13 O ATOM 0 H SER A 74 5.492 -8.974 4.070 1.00 21.22 H new ATOM 0 HA SER A 74 7.313 -10.658 5.587 1.00 12.15 H new ATOM 0 HB2 SER A 74 4.797 -11.297 3.987 1.00 13.14 H new ATOM 0 HB3 SER A 74 5.631 -12.405 5.058 1.00 13.14 H new ATOM 0 HG SER A 74 4.218 -10.016 5.719 1.00 43.13 H new ATOM 1194 N ARG A 75 7.982 -12.406 3.657 1.00 44.23 N ATOM 1195 CA ARG A 75 8.945 -13.037 2.736 1.00 44.54 C ATOM 1196 C ARG A 75 8.225 -13.865 1.653 1.00 13.32 C ATOM 1197 O ARG A 75 7.023 -14.141 1.758 1.00 52.23 O ATOM 1198 CB ARG A 75 9.928 -13.903 3.563 1.00 12.33 C ATOM 1199 CG ARG A 75 10.735 -13.107 4.613 1.00 63.23 C ATOM 1200 CD ARG A 75 11.685 -13.989 5.439 1.00 74.34 C ATOM 1201 NE ARG A 75 12.685 -14.665 4.595 1.00 22.55 N ATOM 1202 CZ ARG A 75 13.426 -15.728 4.959 1.00 12.43 C ATOM 1203 NH1 ARG A 75 13.299 -16.286 6.165 1.00 51.22 N ATOM 1204 NH2 ARG A 75 14.299 -16.232 4.099 1.00 50.52 N ATOM 0 H ARG A 75 7.679 -13.017 4.415 1.00 44.23 H new ATOM 0 HA ARG A 75 9.506 -12.265 2.209 1.00 44.54 H new ATOM 0 HB2 ARG A 75 9.367 -14.688 4.070 1.00 12.33 H new ATOM 0 HB3 ARG A 75 10.623 -14.396 2.883 1.00 12.33 H new ATOM 0 HG2 ARG A 75 11.314 -12.334 4.108 1.00 63.23 H new ATOM 0 HG3 ARG A 75 10.044 -12.599 5.285 1.00 63.23 H new ATOM 0 HD2 ARG A 75 12.194 -13.376 6.183 1.00 74.34 H new ATOM 0 HD3 ARG A 75 11.106 -14.735 5.983 1.00 74.34 H new ATOM 0 HE ARG A 75 12.828 -14.296 3.655 1.00 22.55 H new ATOM 0 HH11 ARG A 75 12.629 -15.907 6.834 1.00 51.22 H new ATOM 0 HH12 ARG A 75 13.872 -17.091 6.417 1.00 51.22 H new ATOM 0 HH21 ARG A 75 14.403 -15.815 3.174 1.00 50.52 H new ATOM 0 HH22 ARG A 75 14.867 -17.037 4.362 1.00 50.52 H new ATOM 1218 N ALA A 76 8.979 -14.238 0.599 1.00 71.04 N ATOM 1219 CA ALA A 76 8.478 -15.062 -0.513 1.00 2.43 C ATOM 1220 C ALA A 76 8.102 -16.459 -0.004 1.00 11.23 C ATOM 1221 O ALA A 76 8.902 -17.104 0.678 1.00 52.22 O ATOM 1222 CB ALA A 76 9.533 -15.158 -1.633 1.00 0.42 C ATOM 0 H ALA A 76 9.959 -13.973 0.498 1.00 71.04 H new ATOM 0 HA ALA A 76 7.587 -14.589 -0.926 1.00 2.43 H new ATOM 0 HB1 ALA A 76 9.145 -15.771 -2.447 1.00 0.42 H new ATOM 0 HB2 ALA A 76 9.759 -14.159 -2.007 1.00 0.42 H new ATOM 0 HB3 ALA A 76 10.442 -15.612 -1.239 1.00 0.42 H new ATOM 1228 N GLY A 77 6.873 -16.894 -0.320 1.00 14.41 N ATOM 1229 CA GLY A 77 6.350 -18.182 0.126 1.00 24.13 C ATOM 1230 C GLY A 77 5.442 -18.061 1.338 1.00 52.51 C ATOM 1231 O GLY A 77 4.709 -19.007 1.646 1.00 13.42 O ATOM 0 H GLY A 77 6.219 -16.359 -0.891 1.00 14.41 H new ATOM 0 HA2 GLY A 77 5.798 -18.647 -0.691 1.00 24.13 H new ATOM 0 HA3 GLY A 77 7.182 -18.844 0.366 1.00 24.13 H new ATOM 1235 N SER A 78 5.469 -16.888 2.011 1.00 73.44 N ATOM 1236 CA SER A 78 4.660 -16.632 3.221 1.00 41.10 C ATOM 1237 C SER A 78 3.160 -16.618 2.858 1.00 33.04 C ATOM 1238 O SER A 78 2.740 -15.844 2.001 1.00 42.42 O ATOM 1239 CB SER A 78 5.080 -15.278 3.862 1.00 54.55 C ATOM 1240 OG SER A 78 4.413 -15.025 5.094 1.00 42.15 O ATOM 0 H SER A 78 6.049 -16.097 1.731 1.00 73.44 H new ATOM 0 HA SER A 78 4.834 -17.428 3.945 1.00 41.10 H new ATOM 0 HB2 SER A 78 6.157 -15.278 4.030 1.00 54.55 H new ATOM 0 HB3 SER A 78 4.866 -14.468 3.164 1.00 54.55 H new ATOM 0 HG SER A 78 4.991 -14.487 5.674 1.00 42.15 H new ATOM 1246 N ARG A 79 2.377 -17.532 3.457 1.00 13.22 N ATOM 1247 CA ARG A 79 0.898 -17.566 3.329 1.00 61.33 C ATOM 1248 C ARG A 79 0.286 -17.711 4.746 1.00 13.41 C ATOM 1249 O ARG A 79 0.560 -18.709 5.413 1.00 4.13 O ATOM 1250 CB ARG A 79 0.399 -18.722 2.393 1.00 5.24 C ATOM 1251 CG ARG A 79 0.328 -18.389 0.874 1.00 23.25 C ATOM 1252 CD ARG A 79 1.689 -18.326 0.167 1.00 21.23 C ATOM 1253 NE ARG A 79 1.548 -18.003 -1.258 1.00 40.33 N ATOM 1254 CZ ARG A 79 2.441 -17.335 -1.996 1.00 40.24 C ATOM 1255 NH1 ARG A 79 3.575 -16.879 -1.471 1.00 10.54 N ATOM 1256 NH2 ARG A 79 2.175 -17.117 -3.270 1.00 72.31 N ATOM 0 H ARG A 79 2.749 -18.275 4.049 1.00 13.22 H new ATOM 0 HA ARG A 79 0.572 -16.636 2.864 1.00 61.33 H new ATOM 0 HB2 ARG A 79 1.058 -19.580 2.526 1.00 5.24 H new ATOM 0 HB3 ARG A 79 -0.593 -19.028 2.724 1.00 5.24 H new ATOM 0 HG2 ARG A 79 -0.288 -19.140 0.380 1.00 23.25 H new ATOM 0 HG3 ARG A 79 -0.176 -17.430 0.749 1.00 23.25 H new ATOM 0 HD2 ARG A 79 2.315 -17.576 0.650 1.00 21.23 H new ATOM 0 HD3 ARG A 79 2.199 -19.283 0.274 1.00 21.23 H new ATOM 0 HE ARG A 79 0.696 -18.315 -1.725 1.00 40.33 H new ATOM 0 HH11 ARG A 79 3.780 -17.036 -0.484 1.00 10.54 H new ATOM 0 HH12 ARG A 79 4.240 -16.372 -2.055 1.00 10.54 H new ATOM 0 HH21 ARG A 79 1.302 -17.456 -3.674 1.00 72.31 H new ATOM 0 HH22 ARG A 79 2.843 -16.610 -3.851 1.00 72.31 H new ATOM 1270 N PRO A 80 -0.543 -16.731 5.246 1.00 2.53 N ATOM 1271 CA PRO A 80 -0.882 -15.469 4.539 1.00 30.43 C ATOM 1272 C PRO A 80 0.251 -14.407 4.612 1.00 71.41 C ATOM 1273 O PRO A 80 0.773 -14.099 5.690 1.00 24.34 O ATOM 1274 CB PRO A 80 -2.153 -15.002 5.278 1.00 43.52 C ATOM 1275 CG PRO A 80 -1.981 -15.493 6.677 1.00 70.12 C ATOM 1276 CD PRO A 80 -1.248 -16.816 6.560 1.00 75.51 C ATOM 0 HA PRO A 80 -1.024 -15.615 3.468 1.00 30.43 H new ATOM 0 HB2 PRO A 80 -2.252 -13.917 5.249 1.00 43.52 H new ATOM 0 HB3 PRO A 80 -3.052 -15.416 4.821 1.00 43.52 H new ATOM 0 HG2 PRO A 80 -1.411 -14.781 7.275 1.00 70.12 H new ATOM 0 HG3 PRO A 80 -2.945 -15.622 7.168 1.00 70.12 H new ATOM 0 HD2 PRO A 80 -0.544 -16.955 7.381 1.00 75.51 H new ATOM 0 HD3 PRO A 80 -1.940 -17.658 6.587 1.00 75.51 H new ATOM 1284 N TRP A 81 0.620 -13.883 3.441 1.00 54.35 N ATOM 1285 CA TRP A 81 1.633 -12.820 3.294 1.00 31.34 C ATOM 1286 C TRP A 81 1.013 -11.461 3.648 1.00 42.12 C ATOM 1287 O TRP A 81 -0.118 -11.204 3.273 1.00 42.45 O ATOM 1288 CB TRP A 81 2.142 -12.827 1.829 1.00 45.10 C ATOM 1289 CG TRP A 81 3.188 -11.791 1.491 1.00 55.14 C ATOM 1290 CD1 TRP A 81 4.542 -11.918 1.583 1.00 1.43 C ATOM 1291 CD2 TRP A 81 2.949 -10.484 0.974 1.00 3.54 C ATOM 1292 NE1 TRP A 81 5.151 -10.756 1.177 1.00 3.44 N ATOM 1293 CE2 TRP A 81 4.194 -9.868 0.788 1.00 44.51 C ATOM 1294 CE3 TRP A 81 1.794 -9.784 0.649 1.00 43.20 C ATOM 1295 CZ2 TRP A 81 4.313 -8.579 0.288 1.00 55.23 C ATOM 1296 CZ3 TRP A 81 1.914 -8.514 0.154 1.00 62.33 C ATOM 1297 CH2 TRP A 81 3.165 -7.918 -0.029 1.00 20.05 C ATOM 0 H TRP A 81 0.222 -14.185 2.552 1.00 54.35 H new ATOM 0 HA TRP A 81 2.470 -12.996 3.969 1.00 31.34 H new ATOM 0 HB2 TRP A 81 2.551 -13.813 1.611 1.00 45.10 H new ATOM 0 HB3 TRP A 81 1.288 -12.683 1.167 1.00 45.10 H new ATOM 0 HD1 TRP A 81 5.060 -12.802 1.925 1.00 1.43 H new ATOM 0 HE1 TRP A 81 6.157 -10.586 1.168 1.00 3.44 H new ATOM 0 HE3 TRP A 81 0.821 -10.233 0.784 1.00 43.20 H new ATOM 0 HZ2 TRP A 81 5.280 -8.117 0.155 1.00 55.23 H new ATOM 0 HZ3 TRP A 81 1.023 -7.960 -0.101 1.00 62.33 H new ATOM 0 HH2 TRP A 81 3.222 -6.916 -0.429 1.00 20.05 H new ATOM 1308 N LYS A 82 1.734 -10.604 4.387 1.00 30.25 N ATOM 1309 CA LYS A 82 1.286 -9.215 4.645 1.00 12.53 C ATOM 1310 C LYS A 82 2.443 -8.209 4.463 1.00 14.22 C ATOM 1311 O LYS A 82 3.612 -8.558 4.613 1.00 63.24 O ATOM 1312 CB LYS A 82 0.660 -9.125 6.068 1.00 61.45 C ATOM 1313 CG LYS A 82 0.051 -7.750 6.428 1.00 44.21 C ATOM 1314 CD LYS A 82 -0.696 -7.752 7.779 1.00 2.23 C ATOM 1315 CE LYS A 82 -1.942 -8.647 7.774 1.00 42.03 C ATOM 1316 NZ LYS A 82 -2.653 -8.625 9.086 1.00 31.12 N ATOM 0 H LYS A 82 2.628 -10.841 4.818 1.00 30.25 H new ATOM 0 HA LYS A 82 0.523 -8.947 3.914 1.00 12.53 H new ATOM 0 HB2 LYS A 82 -0.117 -9.884 6.155 1.00 61.45 H new ATOM 0 HB3 LYS A 82 1.428 -9.369 6.802 1.00 61.45 H new ATOM 0 HG2 LYS A 82 0.846 -7.005 6.461 1.00 44.21 H new ATOM 0 HG3 LYS A 82 -0.638 -7.447 5.639 1.00 44.21 H new ATOM 0 HD2 LYS A 82 -0.017 -8.088 8.563 1.00 2.23 H new ATOM 0 HD3 LYS A 82 -0.989 -6.732 8.027 1.00 2.23 H new ATOM 0 HE2 LYS A 82 -2.622 -8.317 6.988 1.00 42.03 H new ATOM 0 HE3 LYS A 82 -1.652 -9.670 7.536 1.00 42.03 H new ATOM 0 HZ1 LYS A 82 -3.488 -9.243 9.039 1.00 31.12 H new ATOM 0 HZ2 LYS A 82 -2.014 -8.964 9.833 1.00 31.12 H new ATOM 0 HZ3 LYS A 82 -2.953 -7.653 9.302 1.00 31.12 H new ATOM 1330 N ALA A 83 2.089 -6.955 4.132 1.00 54.53 N ATOM 1331 CA ALA A 83 3.033 -5.841 3.998 1.00 52.21 C ATOM 1332 C ALA A 83 2.339 -4.544 4.405 1.00 52.12 C ATOM 1333 O ALA A 83 1.141 -4.372 4.171 1.00 44.41 O ATOM 1334 CB ALA A 83 3.563 -5.721 2.565 1.00 31.42 C ATOM 0 H ALA A 83 1.122 -6.687 3.948 1.00 54.53 H new ATOM 0 HA ALA A 83 3.885 -6.032 4.651 1.00 52.21 H new ATOM 0 HB1 ALA A 83 4.260 -4.885 2.504 1.00 31.42 H new ATOM 0 HB2 ALA A 83 4.076 -6.642 2.289 1.00 31.42 H new ATOM 0 HB3 ALA A 83 2.731 -5.551 1.882 1.00 31.42 H new ATOM 1340 N TYR A 84 3.109 -3.645 5.017 1.00 60.21 N ATOM 1341 CA TYR A 84 2.661 -2.301 5.389 1.00 23.52 C ATOM 1342 C TYR A 84 3.425 -1.282 4.532 1.00 13.22 C ATOM 1343 O TYR A 84 4.655 -1.334 4.451 1.00 4.33 O ATOM 1344 CB TYR A 84 2.920 -2.074 6.897 1.00 51.03 C ATOM 1345 CG TYR A 84 2.173 -3.060 7.810 1.00 71.21 C ATOM 1346 CD1 TYR A 84 0.787 -3.210 7.722 1.00 5.03 C ATOM 1347 CD2 TYR A 84 2.846 -3.832 8.763 1.00 64.22 C ATOM 1348 CE1 TYR A 84 0.105 -4.078 8.543 1.00 52.13 C ATOM 1349 CE2 TYR A 84 2.165 -4.709 9.584 1.00 0.33 C ATOM 1350 CZ TYR A 84 0.798 -4.825 9.473 1.00 53.41 C ATOM 1351 OH TYR A 84 0.122 -5.686 10.308 1.00 4.32 O ATOM 0 H TYR A 84 4.078 -3.832 5.273 1.00 60.21 H new ATOM 0 HA TYR A 84 1.592 -2.183 5.210 1.00 23.52 H new ATOM 0 HB2 TYR A 84 3.990 -2.155 7.089 1.00 51.03 H new ATOM 0 HB3 TYR A 84 2.626 -1.057 7.158 1.00 51.03 H new ATOM 0 HD1 TYR A 84 0.239 -2.632 6.993 1.00 5.03 H new ATOM 0 HD2 TYR A 84 3.918 -3.740 8.858 1.00 64.22 H new ATOM 0 HE1 TYR A 84 -0.967 -4.174 8.460 1.00 52.13 H new ATOM 0 HE2 TYR A 84 2.703 -5.301 10.310 1.00 0.33 H new ATOM 0 HH TYR A 84 0.760 -6.135 10.901 1.00 4.32 H new ATOM 1361 N LEU A 85 2.683 -0.400 3.852 1.00 63.32 N ATOM 1362 CA LEU A 85 3.236 0.635 2.960 1.00 4.34 C ATOM 1363 C LEU A 85 2.789 2.024 3.425 1.00 41.11 C ATOM 1364 O LEU A 85 1.709 2.177 3.987 1.00 62.43 O ATOM 1365 CB LEU A 85 2.723 0.412 1.507 1.00 34.21 C ATOM 1366 CG LEU A 85 2.950 -0.996 0.881 1.00 42.22 C ATOM 1367 CD1 LEU A 85 2.361 -1.060 -0.546 1.00 21.33 C ATOM 1368 CD2 LEU A 85 4.440 -1.392 0.900 1.00 14.51 C ATOM 0 H LEU A 85 1.665 -0.382 3.905 1.00 63.32 H new ATOM 0 HA LEU A 85 4.324 0.568 2.987 1.00 4.34 H new ATOM 0 HB2 LEU A 85 1.653 0.621 1.491 1.00 34.21 H new ATOM 0 HB3 LEU A 85 3.202 1.149 0.863 1.00 34.21 H new ATOM 0 HG LEU A 85 2.421 -1.725 1.494 1.00 42.22 H new ATOM 0 HD11 LEU A 85 2.530 -2.052 -0.965 1.00 21.33 H new ATOM 0 HD12 LEU A 85 1.290 -0.860 -0.507 1.00 21.33 H new ATOM 0 HD13 LEU A 85 2.847 -0.313 -1.174 1.00 21.33 H new ATOM 0 HD21 LEU A 85 4.560 -2.380 0.455 1.00 14.51 H new ATOM 0 HD22 LEU A 85 5.017 -0.665 0.329 1.00 14.51 H new ATOM 0 HD23 LEU A 85 4.798 -1.412 1.929 1.00 14.51 H new ATOM 1380 N SER A 86 3.613 3.031 3.149 1.00 12.12 N ATOM 1381 CA SER A 86 3.286 4.442 3.395 1.00 22.11 C ATOM 1382 C SER A 86 3.868 5.320 2.280 1.00 43.35 C ATOM 1383 O SER A 86 4.858 4.969 1.640 1.00 75.15 O ATOM 1384 CB SER A 86 3.776 4.909 4.789 1.00 54.11 C ATOM 1385 OG SER A 86 3.054 4.280 5.838 1.00 24.42 O ATOM 0 H SER A 86 4.539 2.894 2.743 1.00 12.12 H new ATOM 0 HA SER A 86 2.201 4.544 3.389 1.00 22.11 H new ATOM 0 HB2 SER A 86 4.838 4.687 4.894 1.00 54.11 H new ATOM 0 HB3 SER A 86 3.667 5.991 4.870 1.00 54.11 H new ATOM 0 HG SER A 86 2.368 4.893 6.176 1.00 24.42 H new ATOM 1391 N ALA A 87 3.209 6.450 2.043 1.00 50.31 N ATOM 1392 CA ALA A 87 3.629 7.453 1.061 1.00 75.31 C ATOM 1393 C ALA A 87 3.088 8.817 1.489 1.00 20.22 C ATOM 1394 O ALA A 87 2.293 8.915 2.426 1.00 14.02 O ATOM 1395 CB ALA A 87 3.137 7.079 -0.353 1.00 20.53 C ATOM 0 H ALA A 87 2.352 6.702 2.535 1.00 50.31 H new ATOM 0 HA ALA A 87 4.718 7.492 1.022 1.00 75.31 H new ATOM 0 HB1 ALA A 87 3.461 7.839 -1.064 1.00 20.53 H new ATOM 0 HB2 ALA A 87 3.553 6.113 -0.639 1.00 20.53 H new ATOM 0 HB3 ALA A 87 2.049 7.021 -0.356 1.00 20.53 H new ATOM 1401 N GLN A 88 3.548 9.868 0.827 1.00 25.01 N ATOM 1402 CA GLN A 88 3.036 11.227 1.021 1.00 45.35 C ATOM 1403 C GLN A 88 3.049 11.910 -0.334 1.00 22.11 C ATOM 1404 O GLN A 88 4.102 11.985 -0.956 1.00 51.21 O ATOM 1405 CB GLN A 88 3.926 11.986 2.044 1.00 5.30 C ATOM 1406 CG GLN A 88 3.485 13.420 2.363 1.00 22.32 C ATOM 1407 CD GLN A 88 4.395 14.089 3.398 1.00 3.32 C ATOM 1408 OE1 GLN A 88 4.153 14.007 4.603 1.00 41.01 O ATOM 1409 NE2 GLN A 88 5.476 14.703 2.940 1.00 24.32 N ATOM 0 H GLN A 88 4.293 9.807 0.133 1.00 25.01 H new ATOM 0 HA GLN A 88 2.022 11.215 1.421 1.00 45.35 H new ATOM 0 HB2 GLN A 88 3.949 11.416 2.973 1.00 5.30 H new ATOM 0 HB3 GLN A 88 4.946 12.014 1.662 1.00 5.30 H new ATOM 0 HG2 GLN A 88 3.484 14.010 1.447 1.00 22.32 H new ATOM 0 HG3 GLN A 88 2.461 13.409 2.736 1.00 22.32 H new ATOM 0 HE21 GLN A 88 5.647 14.753 1.936 1.00 24.32 H new ATOM 0 HE22 GLN A 88 6.137 15.125 3.592 1.00 24.32 H new ATOM 1418 N ASP A 89 1.893 12.383 -0.826 1.00 34.51 N ATOM 1419 CA ASP A 89 1.857 13.067 -2.132 1.00 42.43 C ATOM 1420 C ASP A 89 2.292 14.532 -1.968 1.00 50.32 C ATOM 1421 O ASP A 89 2.554 14.991 -0.849 1.00 64.43 O ATOM 1422 CB ASP A 89 0.467 12.954 -2.818 1.00 34.20 C ATOM 1423 CG ASP A 89 -0.589 13.947 -2.308 1.00 14.05 C ATOM 1424 OD1 ASP A 89 -0.760 14.076 -1.081 1.00 34.02 O ATOM 1425 OD2 ASP A 89 -1.244 14.610 -3.141 1.00 22.05 O ATOM 0 H ASP A 89 0.991 12.309 -0.355 1.00 34.51 H new ATOM 0 HA ASP A 89 2.563 12.566 -2.794 1.00 42.43 H new ATOM 0 HB2 ASP A 89 0.594 13.101 -3.891 1.00 34.20 H new ATOM 0 HB3 ASP A 89 0.090 11.941 -2.677 1.00 34.20 H new ATOM 1430 N ASP A 90 2.335 15.257 -3.088 1.00 74.31 N ATOM 1431 CA ASP A 90 2.822 16.644 -3.150 1.00 50.31 C ATOM 1432 C ASP A 90 1.944 17.621 -2.327 1.00 1.35 C ATOM 1433 O ASP A 90 2.400 18.711 -1.968 1.00 65.31 O ATOM 1434 CB ASP A 90 2.888 17.083 -4.629 1.00 51.53 C ATOM 1435 CG ASP A 90 1.495 17.185 -5.293 1.00 12.22 C ATOM 1436 OD1 ASP A 90 0.906 16.135 -5.620 1.00 42.32 O ATOM 1437 OD2 ASP A 90 0.981 18.320 -5.471 1.00 21.13 O ATOM 0 H ASP A 90 2.029 14.896 -3.992 1.00 74.31 H new ATOM 0 HA ASP A 90 3.816 16.677 -2.703 1.00 50.31 H new ATOM 0 HB2 ASP A 90 3.386 18.050 -4.693 1.00 51.53 H new ATOM 0 HB3 ASP A 90 3.499 16.372 -5.186 1.00 51.53 H new ATOM 1442 N THR A 91 0.686 17.220 -2.024 1.00 65.23 N ATOM 1443 CA THR A 91 -0.257 18.060 -1.245 1.00 62.33 C ATOM 1444 C THR A 91 -0.163 17.741 0.264 1.00 3.34 C ATOM 1445 O THR A 91 -0.905 18.304 1.076 1.00 12.11 O ATOM 1446 CB THR A 91 -1.733 17.926 -1.766 1.00 20.42 C ATOM 1447 OG1 THR A 91 -2.333 16.696 -1.350 1.00 50.43 O ATOM 1448 CG2 THR A 91 -1.788 18.016 -3.303 1.00 14.03 C ATOM 0 H THR A 91 0.300 16.319 -2.307 1.00 65.23 H new ATOM 0 HA THR A 91 0.038 19.099 -1.390 1.00 62.33 H new ATOM 0 HB THR A 91 -2.293 18.754 -1.332 1.00 20.42 H new ATOM 0 HG1 THR A 91 -2.121 15.993 -1.999 1.00 50.43 H new ATOM 0 HG21 THR A 91 -2.821 17.920 -3.636 1.00 14.03 H new ATOM 0 HG22 THR A 91 -1.390 18.978 -3.626 1.00 14.03 H new ATOM 0 HG23 THR A 91 -1.191 17.213 -3.736 1.00 14.03 H new ATOM 1456 N GLY A 92 0.763 16.833 0.631 1.00 44.13 N ATOM 1457 CA GLY A 92 1.095 16.558 2.036 1.00 10.23 C ATOM 1458 C GLY A 92 0.229 15.491 2.686 1.00 74.50 C ATOM 1459 O GLY A 92 0.347 15.252 3.895 1.00 65.31 O ATOM 0 H GLY A 92 1.296 16.275 -0.036 1.00 44.13 H new ATOM 0 HA2 GLY A 92 2.139 16.249 2.097 1.00 10.23 H new ATOM 0 HA3 GLY A 92 1.002 17.482 2.607 1.00 10.23 H new ATOM 1463 N CYS A 93 -0.639 14.837 1.898 1.00 33.24 N ATOM 1464 CA CYS A 93 -1.521 13.775 2.404 1.00 14.03 C ATOM 1465 C CYS A 93 -0.724 12.470 2.560 1.00 21.31 C ATOM 1466 O CYS A 93 0.018 12.082 1.656 1.00 3.20 O ATOM 1467 CB CYS A 93 -2.720 13.587 1.453 1.00 23.40 C ATOM 1468 SG CYS A 93 -3.525 15.141 1.011 1.00 11.42 S ATOM 0 H CYS A 93 -0.748 15.027 0.902 1.00 33.24 H new ATOM 0 HA CYS A 93 -1.909 14.058 3.382 1.00 14.03 H new ATOM 0 HB2 CYS A 93 -2.381 13.089 0.544 1.00 23.40 H new ATOM 0 HB3 CYS A 93 -3.450 12.928 1.924 1.00 23.40 H new ATOM 0 HG CYS A 93 -2.907 15.678 0.001 1.00 11.42 H new ATOM 1474 N LEU A 94 -0.874 11.822 3.718 1.00 60.33 N ATOM 1475 CA LEU A 94 -0.153 10.587 4.066 1.00 62.45 C ATOM 1476 C LEU A 94 -1.052 9.398 3.669 1.00 61.21 C ATOM 1477 O LEU A 94 -2.215 9.365 4.046 1.00 71.12 O ATOM 1478 CB LEU A 94 0.173 10.561 5.609 1.00 64.25 C ATOM 1479 CG LEU A 94 1.500 9.842 6.067 1.00 54.31 C ATOM 1480 CD1 LEU A 94 1.537 8.341 5.681 1.00 71.12 C ATOM 1481 CD2 LEU A 94 2.746 10.593 5.534 1.00 41.42 C ATOM 0 H LEU A 94 -1.507 12.141 4.452 1.00 60.33 H new ATOM 0 HA LEU A 94 0.797 10.530 3.535 1.00 62.45 H new ATOM 0 HB2 LEU A 94 0.212 11.592 5.961 1.00 64.25 H new ATOM 0 HB3 LEU A 94 -0.662 10.081 6.120 1.00 64.25 H new ATOM 0 HG LEU A 94 1.516 9.876 7.156 1.00 54.31 H new ATOM 0 HD11 LEU A 94 2.474 7.901 6.022 1.00 71.12 H new ATOM 0 HD12 LEU A 94 0.700 7.824 6.151 1.00 71.12 H new ATOM 0 HD13 LEU A 94 1.463 8.242 4.598 1.00 71.12 H new ATOM 0 HD21 LEU A 94 3.649 10.079 5.863 1.00 41.42 H new ATOM 0 HD22 LEU A 94 2.718 10.617 4.445 1.00 41.42 H new ATOM 0 HD23 LEU A 94 2.749 11.613 5.919 1.00 41.42 H new ATOM 1493 N PHE A 95 -0.504 8.444 2.915 1.00 24.53 N ATOM 1494 CA PHE A 95 -1.219 7.245 2.446 1.00 21.21 C ATOM 1495 C PHE A 95 -0.650 6.027 3.160 1.00 3.10 C ATOM 1496 O PHE A 95 0.564 5.874 3.213 1.00 10.21 O ATOM 1497 CB PHE A 95 -1.032 7.089 0.918 1.00 71.31 C ATOM 1498 CG PHE A 95 -1.520 8.292 0.124 1.00 30.21 C ATOM 1499 CD1 PHE A 95 -0.685 9.387 -0.098 1.00 12.24 C ATOM 1500 CD2 PHE A 95 -2.815 8.337 -0.380 1.00 71.14 C ATOM 1501 CE1 PHE A 95 -1.135 10.481 -0.799 1.00 45.21 C ATOM 1502 CE2 PHE A 95 -3.263 9.436 -1.078 1.00 61.24 C ATOM 1503 CZ PHE A 95 -2.422 10.509 -1.286 1.00 71.54 C ATOM 0 H PHE A 95 0.467 8.479 2.605 1.00 24.53 H new ATOM 0 HA PHE A 95 -2.283 7.339 2.663 1.00 21.21 H new ATOM 0 HB2 PHE A 95 0.024 6.925 0.703 1.00 71.31 H new ATOM 0 HB3 PHE A 95 -1.567 6.200 0.583 1.00 71.31 H new ATOM 0 HD1 PHE A 95 0.325 9.375 0.284 1.00 12.24 H new ATOM 0 HD2 PHE A 95 -3.478 7.499 -0.222 1.00 71.14 H new ATOM 0 HE1 PHE A 95 -0.477 11.320 -0.968 1.00 45.21 H new ATOM 0 HE2 PHE A 95 -4.272 9.458 -1.462 1.00 61.24 H new ATOM 0 HZ PHE A 95 -2.774 11.372 -1.832 1.00 71.54 H new ATOM 1513 N LEU A 96 -1.515 5.185 3.738 1.00 50.34 N ATOM 1514 CA LEU A 96 -1.091 3.934 4.381 1.00 34.44 C ATOM 1515 C LEU A 96 -1.835 2.773 3.711 1.00 63.24 C ATOM 1516 O LEU A 96 -3.052 2.838 3.517 1.00 10.41 O ATOM 1517 CB LEU A 96 -1.349 3.969 5.918 1.00 74.24 C ATOM 1518 CG LEU A 96 -0.753 5.201 6.710 1.00 42.31 C ATOM 1519 CD1 LEU A 96 -1.706 6.421 6.693 1.00 50.31 C ATOM 1520 CD2 LEU A 96 -0.349 4.820 8.152 1.00 12.32 C ATOM 0 H LEU A 96 -2.521 5.349 3.774 1.00 50.34 H new ATOM 0 HA LEU A 96 -0.017 3.801 4.254 1.00 34.44 H new ATOM 0 HB2 LEU A 96 -2.426 3.947 6.083 1.00 74.24 H new ATOM 0 HB3 LEU A 96 -0.942 3.056 6.352 1.00 74.24 H new ATOM 0 HG LEU A 96 0.156 5.497 6.186 1.00 42.31 H new ATOM 0 HD11 LEU A 96 -1.255 7.243 7.249 1.00 50.31 H new ATOM 0 HD12 LEU A 96 -1.880 6.732 5.663 1.00 50.31 H new ATOM 0 HD13 LEU A 96 -2.655 6.148 7.155 1.00 50.31 H new ATOM 0 HD21 LEU A 96 0.055 5.696 8.660 1.00 12.32 H new ATOM 0 HD22 LEU A 96 -1.225 4.459 8.692 1.00 12.32 H new ATOM 0 HD23 LEU A 96 0.408 4.036 8.123 1.00 12.32 H new ATOM 1532 N THR A 97 -1.099 1.726 3.324 1.00 55.42 N ATOM 1533 CA THR A 97 -1.654 0.553 2.626 1.00 33.15 C ATOM 1534 C THR A 97 -1.239 -0.750 3.335 1.00 3.54 C ATOM 1535 O THR A 97 -0.164 -0.827 3.927 1.00 4.44 O ATOM 1536 CB THR A 97 -1.175 0.536 1.129 1.00 22.10 C ATOM 1537 OG1 THR A 97 -1.379 1.832 0.547 1.00 62.04 O ATOM 1538 CG2 THR A 97 -1.922 -0.510 0.279 1.00 31.50 C ATOM 0 H THR A 97 -0.094 1.665 3.486 1.00 55.42 H new ATOM 0 HA THR A 97 -2.742 0.622 2.647 1.00 33.15 H new ATOM 0 HB THR A 97 -0.118 0.269 1.134 1.00 22.10 H new ATOM 0 HG1 THR A 97 -0.898 1.887 -0.305 1.00 62.04 H new ATOM 0 HG21 THR A 97 -1.551 -0.478 -0.746 1.00 31.50 H new ATOM 0 HG22 THR A 97 -1.754 -1.504 0.695 1.00 31.50 H new ATOM 0 HG23 THR A 97 -2.989 -0.289 0.286 1.00 31.50 H new ATOM 1546 N GLU A 98 -2.120 -1.763 3.293 1.00 2.44 N ATOM 1547 CA GLU A 98 -1.814 -3.125 3.760 1.00 3.24 C ATOM 1548 C GLU A 98 -2.133 -4.109 2.629 1.00 43.35 C ATOM 1549 O GLU A 98 -3.284 -4.222 2.196 1.00 32.42 O ATOM 1550 CB GLU A 98 -2.619 -3.484 5.038 1.00 74.51 C ATOM 1551 CG GLU A 98 -2.385 -4.909 5.567 1.00 55.12 C ATOM 1552 CD GLU A 98 -3.354 -5.291 6.697 1.00 0.44 C ATOM 1553 OE1 GLU A 98 -3.143 -4.862 7.854 1.00 11.10 O ATOM 1554 OE2 GLU A 98 -4.333 -6.025 6.437 1.00 22.24 O ATOM 0 H GLU A 98 -3.069 -1.660 2.933 1.00 2.44 H new ATOM 0 HA GLU A 98 -0.758 -3.184 4.022 1.00 3.24 H new ATOM 0 HB2 GLU A 98 -2.363 -2.773 5.824 1.00 74.51 H new ATOM 0 HB3 GLU A 98 -3.681 -3.359 4.829 1.00 74.51 H new ATOM 0 HG2 GLU A 98 -2.493 -5.619 4.747 1.00 55.12 H new ATOM 0 HG3 GLU A 98 -1.360 -4.994 5.929 1.00 55.12 H new ATOM 1561 N LEU A 99 -1.100 -4.802 2.146 1.00 12.33 N ATOM 1562 CA LEU A 99 -1.230 -5.816 1.096 1.00 31.21 C ATOM 1563 C LEU A 99 -1.217 -7.188 1.783 1.00 71.42 C ATOM 1564 O LEU A 99 -0.321 -7.458 2.575 1.00 13.31 O ATOM 1565 CB LEU A 99 -0.059 -5.696 0.086 1.00 63.25 C ATOM 1566 CG LEU A 99 0.148 -4.314 -0.608 1.00 24.44 C ATOM 1567 CD1 LEU A 99 1.351 -4.367 -1.579 1.00 25.30 C ATOM 1568 CD2 LEU A 99 -1.127 -3.841 -1.326 1.00 14.13 C ATOM 0 H LEU A 99 -0.143 -4.675 2.474 1.00 12.33 H new ATOM 0 HA LEU A 99 -2.157 -5.680 0.538 1.00 31.21 H new ATOM 0 HB2 LEU A 99 0.863 -5.954 0.607 1.00 63.25 H new ATOM 0 HB3 LEU A 99 -0.206 -6.445 -0.692 1.00 63.25 H new ATOM 0 HG LEU A 99 0.368 -3.582 0.169 1.00 24.44 H new ATOM 0 HD11 LEU A 99 1.479 -3.394 -2.053 1.00 25.30 H new ATOM 0 HD12 LEU A 99 2.254 -4.623 -1.025 1.00 25.30 H new ATOM 0 HD13 LEU A 99 1.168 -5.122 -2.344 1.00 25.30 H new ATOM 0 HD21 LEU A 99 -0.943 -2.875 -1.797 1.00 14.13 H new ATOM 0 HD22 LEU A 99 -1.407 -4.569 -2.088 1.00 14.13 H new ATOM 0 HD23 LEU A 99 -1.937 -3.743 -0.603 1.00 14.13 H new ATOM 1580 N LEU A 100 -2.230 -8.027 1.505 1.00 44.02 N ATOM 1581 CA LEU A 100 -2.412 -9.322 2.190 1.00 75.34 C ATOM 1582 C LEU A 100 -2.734 -10.406 1.147 1.00 64.04 C ATOM 1583 O LEU A 100 -3.803 -10.377 0.552 1.00 34.22 O ATOM 1584 CB LEU A 100 -3.557 -9.202 3.257 1.00 0.54 C ATOM 1585 CG LEU A 100 -3.473 -10.101 4.542 1.00 71.25 C ATOM 1586 CD1 LEU A 100 -4.737 -9.924 5.417 1.00 74.04 C ATOM 1587 CD2 LEU A 100 -3.224 -11.592 4.231 1.00 53.40 C ATOM 0 H LEU A 100 -2.943 -7.829 0.803 1.00 44.02 H new ATOM 0 HA LEU A 100 -1.496 -9.602 2.709 1.00 75.34 H new ATOM 0 HB2 LEU A 100 -3.602 -8.162 3.581 1.00 0.54 H new ATOM 0 HB3 LEU A 100 -4.501 -9.422 2.758 1.00 0.54 H new ATOM 0 HG LEU A 100 -2.602 -9.758 5.100 1.00 71.25 H new ATOM 0 HD11 LEU A 100 -4.658 -10.556 6.302 1.00 74.04 H new ATOM 0 HD12 LEU A 100 -4.825 -8.881 5.722 1.00 74.04 H new ATOM 0 HD13 LEU A 100 -5.619 -10.210 4.844 1.00 74.04 H new ATOM 0 HD21 LEU A 100 -3.177 -12.155 5.163 1.00 53.40 H new ATOM 0 HD22 LEU A 100 -4.037 -11.976 3.616 1.00 53.40 H new ATOM 0 HD23 LEU A 100 -2.281 -11.699 3.694 1.00 53.40 H new ATOM 1599 N LEU A 101 -1.834 -11.383 0.973 1.00 54.53 N ATOM 1600 CA LEU A 101 -2.034 -12.486 0.031 1.00 32.41 C ATOM 1601 C LEU A 101 -2.533 -13.724 0.804 1.00 11.40 C ATOM 1602 O LEU A 101 -1.809 -14.286 1.643 1.00 13.01 O ATOM 1603 CB LEU A 101 -0.728 -12.807 -0.736 1.00 62.11 C ATOM 1604 CG LEU A 101 -0.838 -13.959 -1.781 1.00 12.45 C ATOM 1605 CD1 LEU A 101 -1.784 -13.604 -2.942 1.00 21.24 C ATOM 1606 CD2 LEU A 101 0.546 -14.372 -2.288 1.00 11.31 C ATOM 0 H LEU A 101 -0.950 -11.429 1.481 1.00 54.53 H new ATOM 0 HA LEU A 101 -2.781 -12.194 -0.707 1.00 32.41 H new ATOM 0 HB2 LEU A 101 -0.395 -11.904 -1.248 1.00 62.11 H new ATOM 0 HB3 LEU A 101 0.045 -13.067 -0.013 1.00 62.11 H new ATOM 0 HG LEU A 101 -1.279 -14.816 -1.272 1.00 12.45 H new ATOM 0 HD11 LEU A 101 -1.828 -14.437 -3.643 1.00 21.24 H new ATOM 0 HD12 LEU A 101 -2.782 -13.406 -2.551 1.00 21.24 H new ATOM 0 HD13 LEU A 101 -1.413 -12.717 -3.455 1.00 21.24 H new ATOM 0 HD21 LEU A 101 0.442 -15.177 -3.016 1.00 11.31 H new ATOM 0 HD22 LEU A 101 1.031 -13.517 -2.760 1.00 11.31 H new ATOM 0 HD23 LEU A 101 1.152 -14.716 -1.450 1.00 11.31 H new ATOM 1618 N GLU A 102 -3.777 -14.105 0.510 1.00 23.04 N ATOM 1619 CA GLU A 102 -4.486 -15.230 1.131 1.00 22.40 C ATOM 1620 C GLU A 102 -3.915 -16.603 0.702 1.00 53.43 C ATOM 1621 O GLU A 102 -3.465 -16.759 -0.442 1.00 1.44 O ATOM 1622 CB GLU A 102 -5.987 -15.137 0.742 1.00 45.30 C ATOM 1623 CG GLU A 102 -6.713 -13.907 1.316 1.00 52.22 C ATOM 1624 CD GLU A 102 -6.832 -13.950 2.846 1.00 14.43 C ATOM 1625 OE1 GLU A 102 -7.809 -14.539 3.361 1.00 43.50 O ATOM 1626 OE2 GLU A 102 -5.957 -13.400 3.541 1.00 4.04 O ATOM 0 H GLU A 102 -4.340 -13.623 -0.191 1.00 23.04 H new ATOM 0 HA GLU A 102 -4.356 -15.161 2.211 1.00 22.40 H new ATOM 0 HB2 GLU A 102 -6.069 -15.119 -0.345 1.00 45.30 H new ATOM 0 HB3 GLU A 102 -6.496 -16.038 1.085 1.00 45.30 H new ATOM 0 HG2 GLU A 102 -6.177 -13.004 1.023 1.00 52.22 H new ATOM 0 HG3 GLU A 102 -7.710 -13.842 0.880 1.00 52.22 H new ATOM 1633 N PRO A 103 -3.914 -17.617 1.635 1.00 33.30 N ATOM 1634 CA PRO A 103 -3.575 -19.017 1.306 1.00 71.43 C ATOM 1635 C PRO A 103 -4.735 -19.757 0.586 1.00 63.21 C ATOM 1636 O PRO A 103 -5.885 -19.296 0.592 1.00 24.34 O ATOM 1637 CB PRO A 103 -3.286 -19.633 2.692 1.00 23.32 C ATOM 1638 CG PRO A 103 -4.162 -18.874 3.636 1.00 31.21 C ATOM 1639 CD PRO A 103 -4.220 -17.461 3.094 1.00 20.21 C ATOM 0 HA PRO A 103 -2.739 -19.093 0.611 1.00 71.43 H new ATOM 0 HB2 PRO A 103 -3.517 -20.698 2.708 1.00 23.32 H new ATOM 0 HB3 PRO A 103 -2.234 -19.531 2.959 1.00 23.32 H new ATOM 0 HG2 PRO A 103 -5.157 -19.315 3.687 1.00 31.21 H new ATOM 0 HG3 PRO A 103 -3.754 -18.889 4.647 1.00 31.21 H new ATOM 0 HD2 PRO A 103 -5.202 -17.014 3.250 1.00 20.21 H new ATOM 0 HD3 PRO A 103 -3.494 -16.815 3.587 1.00 20.21 H new ATOM 1647 N GLY A 104 -4.416 -20.923 -0.004 1.00 53.45 N ATOM 1648 CA GLY A 104 -5.380 -21.706 -0.788 1.00 74.32 C ATOM 1649 C GLY A 104 -5.564 -21.126 -2.188 1.00 62.22 C ATOM 1650 O GLY A 104 -4.827 -21.484 -3.117 1.00 45.33 O ATOM 0 H GLY A 104 -3.489 -21.344 0.050 1.00 53.45 H new ATOM 0 HA2 GLY A 104 -5.037 -22.738 -0.863 1.00 74.32 H new ATOM 0 HA3 GLY A 104 -6.340 -21.726 -0.272 1.00 74.32 H new ATOM 1654 N ASN A 105 -6.552 -20.223 -2.330 1.00 62.13 N ATOM 1655 CA ASN A 105 -6.775 -19.422 -3.557 1.00 44.32 C ATOM 1656 C ASN A 105 -5.897 -18.159 -3.498 1.00 72.31 C ATOM 1657 O ASN A 105 -5.846 -17.495 -2.454 1.00 42.41 O ATOM 1658 CB ASN A 105 -8.276 -19.032 -3.698 1.00 74.23 C ATOM 1659 CG ASN A 105 -9.186 -20.209 -4.091 1.00 4.42 C ATOM 1660 OD1 ASN A 105 -9.656 -20.966 -3.240 1.00 12.22 O ATOM 1661 ND2 ASN A 105 -9.470 -20.354 -5.381 1.00 75.32 N ATOM 0 H ASN A 105 -7.227 -20.024 -1.591 1.00 62.13 H new ATOM 0 HA ASN A 105 -6.502 -20.018 -4.428 1.00 44.32 H new ATOM 0 HB2 ASN A 105 -8.624 -18.615 -2.753 1.00 74.23 H new ATOM 0 HB3 ASN A 105 -8.369 -18.246 -4.447 1.00 74.23 H new ATOM 0 HD21 ASN A 105 -10.090 -21.105 -5.686 1.00 75.32 H new ATOM 0 HD22 ASN A 105 -9.068 -19.714 -6.067 1.00 75.32 H new ATOM 1668 N SER A 106 -5.203 -17.834 -4.608 1.00 53.22 N ATOM 1669 CA SER A 106 -4.317 -16.658 -4.667 1.00 20.32 C ATOM 1670 C SER A 106 -5.155 -15.364 -4.732 1.00 30.43 C ATOM 1671 O SER A 106 -5.485 -14.862 -5.811 1.00 31.35 O ATOM 1672 CB SER A 106 -3.347 -16.766 -5.867 1.00 24.22 C ATOM 1673 OG SER A 106 -2.659 -18.005 -5.890 1.00 64.33 O ATOM 0 H SER A 106 -5.241 -18.371 -5.475 1.00 53.22 H new ATOM 0 HA SER A 106 -3.714 -16.624 -3.760 1.00 20.32 H new ATOM 0 HB2 SER A 106 -3.905 -16.645 -6.795 1.00 24.22 H new ATOM 0 HB3 SER A 106 -2.624 -15.952 -5.822 1.00 24.22 H new ATOM 0 HG SER A 106 -2.059 -18.032 -6.664 1.00 64.33 H new ATOM 1679 N GLU A 107 -5.542 -14.869 -3.554 1.00 70.12 N ATOM 1680 CA GLU A 107 -6.347 -13.649 -3.412 1.00 41.52 C ATOM 1681 C GLU A 107 -5.465 -12.555 -2.797 1.00 63.22 C ATOM 1682 O GLU A 107 -4.930 -12.737 -1.712 1.00 15.33 O ATOM 1683 CB GLU A 107 -7.580 -13.936 -2.507 1.00 41.04 C ATOM 1684 CG GLU A 107 -8.443 -12.694 -2.222 1.00 4.32 C ATOM 1685 CD GLU A 107 -9.631 -12.954 -1.280 1.00 54.22 C ATOM 1686 OE1 GLU A 107 -10.636 -13.556 -1.723 1.00 54.33 O ATOM 1687 OE2 GLU A 107 -9.572 -12.557 -0.099 1.00 1.32 O ATOM 0 H GLU A 107 -5.305 -15.306 -2.663 1.00 70.12 H new ATOM 0 HA GLU A 107 -6.710 -13.317 -4.385 1.00 41.52 H new ATOM 0 HB2 GLU A 107 -8.199 -14.696 -2.983 1.00 41.04 H new ATOM 0 HB3 GLU A 107 -7.235 -14.353 -1.561 1.00 41.04 H new ATOM 0 HG2 GLU A 107 -7.812 -11.919 -1.787 1.00 4.32 H new ATOM 0 HG3 GLU A 107 -8.822 -12.304 -3.167 1.00 4.32 H new ATOM 1694 N MET A 108 -5.315 -11.430 -3.497 1.00 33.22 N ATOM 1695 CA MET A 108 -4.471 -10.310 -3.056 1.00 62.32 C ATOM 1696 C MET A 108 -5.385 -9.165 -2.592 1.00 10.53 C ATOM 1697 O MET A 108 -6.153 -8.620 -3.380 1.00 41.55 O ATOM 1698 CB MET A 108 -3.571 -9.831 -4.232 1.00 65.41 C ATOM 1699 CG MET A 108 -2.437 -8.894 -3.821 1.00 44.44 C ATOM 1700 SD MET A 108 -1.154 -9.750 -2.890 1.00 3.44 S ATOM 1701 CE MET A 108 0.154 -8.535 -2.949 1.00 11.11 C ATOM 0 H MET A 108 -5.777 -11.266 -4.392 1.00 33.22 H new ATOM 0 HA MET A 108 -3.828 -10.627 -2.235 1.00 62.32 H new ATOM 0 HB2 MET A 108 -3.143 -10.704 -4.724 1.00 65.41 H new ATOM 0 HB3 MET A 108 -4.196 -9.324 -4.968 1.00 65.41 H new ATOM 0 HG2 MET A 108 -1.999 -8.444 -4.712 1.00 44.44 H new ATOM 0 HG3 MET A 108 -2.840 -8.080 -3.218 1.00 44.44 H new ATOM 0 HE1 MET A 108 1.043 -8.934 -2.461 1.00 11.11 H new ATOM 0 HE2 MET A 108 0.385 -8.299 -3.988 1.00 11.11 H new ATOM 0 HE3 MET A 108 -0.167 -7.630 -2.434 1.00 11.11 H new ATOM 1711 N GLN A 109 -5.288 -8.806 -1.313 1.00 12.21 N ATOM 1712 CA GLN A 109 -6.123 -7.774 -0.683 1.00 43.33 C ATOM 1713 C GLN A 109 -5.297 -6.500 -0.553 1.00 23.54 C ATOM 1714 O GLN A 109 -4.184 -6.538 -0.032 1.00 55.50 O ATOM 1715 CB GLN A 109 -6.574 -8.244 0.725 1.00 50.52 C ATOM 1716 CG GLN A 109 -7.346 -9.567 0.737 1.00 43.55 C ATOM 1717 CD GLN A 109 -7.626 -10.043 2.161 1.00 15.41 C ATOM 1718 OE1 GLN A 109 -8.666 -9.734 2.747 1.00 71.42 O ATOM 1719 NE2 GLN A 109 -6.678 -10.756 2.740 1.00 51.31 N ATOM 0 H GLN A 109 -4.617 -9.229 -0.671 1.00 12.21 H new ATOM 0 HA GLN A 109 -7.008 -7.591 -1.292 1.00 43.33 H new ATOM 0 HB2 GLN A 109 -5.693 -8.346 1.359 1.00 50.52 H new ATOM 0 HB3 GLN A 109 -7.199 -7.469 1.170 1.00 50.52 H new ATOM 0 HG2 GLN A 109 -8.288 -9.444 0.202 1.00 43.55 H new ATOM 0 HG3 GLN A 109 -6.774 -10.327 0.205 1.00 43.55 H new ATOM 0 HE21 GLN A 109 -5.831 -10.993 2.224 1.00 51.31 H new ATOM 0 HE22 GLN A 109 -6.793 -11.070 3.704 1.00 51.31 H new ATOM 1728 N ILE A 110 -5.834 -5.390 -1.049 1.00 11.22 N ATOM 1729 CA ILE A 110 -5.196 -4.075 -0.953 1.00 22.34 C ATOM 1730 C ILE A 110 -6.104 -3.187 -0.082 1.00 45.23 C ATOM 1731 O ILE A 110 -7.227 -2.890 -0.475 1.00 40.20 O ATOM 1732 CB ILE A 110 -4.990 -3.403 -2.371 1.00 53.15 C ATOM 1733 CG1 ILE A 110 -4.124 -4.282 -3.354 1.00 14.04 C ATOM 1734 CG2 ILE A 110 -4.382 -1.989 -2.214 1.00 74.03 C ATOM 1735 CD1 ILE A 110 -4.844 -5.466 -4.005 1.00 15.23 C ATOM 0 H ILE A 110 -6.731 -5.374 -1.533 1.00 11.22 H new ATOM 0 HA ILE A 110 -4.205 -4.190 -0.514 1.00 22.34 H new ATOM 0 HB ILE A 110 -5.977 -3.321 -2.826 1.00 53.15 H new ATOM 0 HG12 ILE A 110 -3.740 -3.637 -4.144 1.00 14.04 H new ATOM 0 HG13 ILE A 110 -3.262 -4.663 -2.806 1.00 14.04 H new ATOM 0 HG21 ILE A 110 -4.246 -1.540 -3.198 1.00 74.03 H new ATOM 0 HG22 ILE A 110 -5.054 -1.368 -1.621 1.00 74.03 H new ATOM 0 HG23 ILE A 110 -3.417 -2.061 -1.712 1.00 74.03 H new ATOM 0 HD11 ILE A 110 -4.153 -5.997 -4.659 1.00 15.23 H new ATOM 0 HD12 ILE A 110 -5.204 -6.143 -3.231 1.00 15.23 H new ATOM 0 HD13 ILE A 110 -5.689 -5.101 -4.589 1.00 15.23 H new ATOM 1747 N SER A 111 -5.607 -2.766 1.091 1.00 1.41 N ATOM 1748 CA SER A 111 -6.352 -1.904 2.023 1.00 1.24 C ATOM 1749 C SER A 111 -5.759 -0.498 1.963 1.00 32.22 C ATOM 1750 O SER A 111 -4.663 -0.270 2.462 1.00 24.21 O ATOM 1751 CB SER A 111 -6.261 -2.483 3.456 1.00 73.00 C ATOM 1752 OG SER A 111 -6.762 -3.808 3.497 1.00 30.15 O ATOM 0 H SER A 111 -4.674 -3.014 1.421 1.00 1.41 H new ATOM 0 HA SER A 111 -7.405 -1.861 1.743 1.00 1.24 H new ATOM 0 HB2 SER A 111 -5.224 -2.471 3.793 1.00 73.00 H new ATOM 0 HB3 SER A 111 -6.827 -1.854 4.144 1.00 73.00 H new ATOM 0 HG SER A 111 -6.694 -4.155 4.411 1.00 30.15 H new ATOM 1758 N VAL A 112 -6.489 0.432 1.339 1.00 32.35 N ATOM 1759 CA VAL A 112 -6.046 1.824 1.177 1.00 21.14 C ATOM 1760 C VAL A 112 -6.741 2.673 2.250 1.00 41.43 C ATOM 1761 O VAL A 112 -7.972 2.781 2.273 1.00 71.51 O ATOM 1762 CB VAL A 112 -6.394 2.400 -0.255 1.00 23.11 C ATOM 1763 CG1 VAL A 112 -5.848 3.839 -0.427 1.00 65.01 C ATOM 1764 CG2 VAL A 112 -5.889 1.463 -1.378 1.00 14.50 C ATOM 0 H VAL A 112 -7.405 0.243 0.931 1.00 32.35 H new ATOM 0 HA VAL A 112 -4.962 1.857 1.283 1.00 21.14 H new ATOM 0 HB VAL A 112 -7.480 2.449 -0.337 1.00 23.11 H new ATOM 0 HG11 VAL A 112 -6.102 4.208 -1.420 1.00 65.01 H new ATOM 0 HG12 VAL A 112 -6.292 4.489 0.327 1.00 65.01 H new ATOM 0 HG13 VAL A 112 -4.764 3.834 -0.308 1.00 65.01 H new ATOM 0 HG21 VAL A 112 -6.144 1.888 -2.349 1.00 14.50 H new ATOM 0 HG22 VAL A 112 -4.807 1.355 -1.302 1.00 14.50 H new ATOM 0 HG23 VAL A 112 -6.359 0.485 -1.275 1.00 14.50 H new ATOM 1774 N LYS A 113 -5.943 3.266 3.137 1.00 52.35 N ATOM 1775 CA LYS A 113 -6.431 4.089 4.237 1.00 44.14 C ATOM 1776 C LYS A 113 -5.411 5.202 4.501 1.00 1.21 C ATOM 1777 O LYS A 113 -4.299 4.947 4.963 1.00 40.12 O ATOM 1778 CB LYS A 113 -6.665 3.193 5.475 1.00 14.25 C ATOM 1779 CG LYS A 113 -7.191 3.925 6.716 1.00 71.24 C ATOM 1780 CD LYS A 113 -7.697 2.951 7.800 1.00 65.21 C ATOM 1781 CE LYS A 113 -6.650 1.943 8.229 1.00 15.54 C ATOM 1782 NZ LYS A 113 -7.169 0.996 9.247 1.00 60.01 N ATOM 0 H LYS A 113 -4.927 3.186 3.109 1.00 52.35 H new ATOM 0 HA LYS A 113 -7.384 4.558 3.992 1.00 44.14 H new ATOM 0 HB2 LYS A 113 -7.372 2.408 5.208 1.00 14.25 H new ATOM 0 HB3 LYS A 113 -5.726 2.702 5.732 1.00 14.25 H new ATOM 0 HG2 LYS A 113 -6.398 4.547 7.131 1.00 71.24 H new ATOM 0 HG3 LYS A 113 -8.001 4.593 6.425 1.00 71.24 H new ATOM 0 HD2 LYS A 113 -8.021 3.522 8.670 1.00 65.21 H new ATOM 0 HD3 LYS A 113 -8.571 2.420 7.423 1.00 65.21 H new ATOM 0 HE2 LYS A 113 -6.306 1.385 7.358 1.00 15.54 H new ATOM 0 HE3 LYS A 113 -5.785 2.469 8.632 1.00 15.54 H new ATOM 0 HZ1 LYS A 113 -6.694 0.077 9.140 1.00 60.01 H new ATOM 0 HZ2 LYS A 113 -6.984 1.373 10.198 1.00 60.01 H new ATOM 0 HZ3 LYS A 113 -8.194 0.874 9.117 1.00 60.01 H new ATOM 1796 N GLN A 114 -5.797 6.431 4.175 1.00 43.24 N ATOM 1797 CA GLN A 114 -4.927 7.609 4.234 1.00 61.34 C ATOM 1798 C GLN A 114 -5.376 8.544 5.364 1.00 30.44 C ATOM 1799 O GLN A 114 -6.530 8.496 5.795 1.00 2.55 O ATOM 1800 CB GLN A 114 -4.956 8.298 2.840 1.00 35.25 C ATOM 1801 CG GLN A 114 -6.367 8.619 2.307 1.00 53.11 C ATOM 1802 CD GLN A 114 -6.402 8.886 0.798 1.00 31.42 C ATOM 1803 OE1 GLN A 114 -6.590 7.970 0.002 1.00 14.35 O ATOM 1804 NE2 GLN A 114 -6.205 10.132 0.399 1.00 44.41 N ATOM 0 H GLN A 114 -6.742 6.645 3.855 1.00 43.24 H new ATOM 0 HA GLN A 114 -3.899 7.326 4.461 1.00 61.34 H new ATOM 0 HB2 GLN A 114 -4.385 9.225 2.896 1.00 35.25 H new ATOM 0 HB3 GLN A 114 -4.449 7.654 2.121 1.00 35.25 H new ATOM 0 HG2 GLN A 114 -7.032 7.786 2.537 1.00 53.11 H new ATOM 0 HG3 GLN A 114 -6.756 9.492 2.832 1.00 53.11 H new ATOM 0 HE21 GLN A 114 -6.052 10.870 1.087 1.00 44.41 H new ATOM 0 HE22 GLN A 114 -6.206 10.355 -0.596 1.00 44.41 H new ATOM 1813 N ASN A 115 -4.447 9.389 5.840 1.00 45.25 N ATOM 1814 CA ASN A 115 -4.673 10.294 6.984 1.00 42.10 C ATOM 1815 C ASN A 115 -5.668 11.405 6.600 1.00 40.53 C ATOM 1816 O ASN A 115 -6.633 11.664 7.327 1.00 44.12 O ATOM 1817 CB ASN A 115 -3.327 10.892 7.463 1.00 61.50 C ATOM 1818 CG ASN A 115 -3.457 11.809 8.692 1.00 43.11 C ATOM 1819 OD1 ASN A 115 -4.276 11.572 9.587 1.00 64.24 O ATOM 1820 ND2 ASN A 115 -2.661 12.865 8.738 1.00 62.41 N ATOM 0 H ASN A 115 -3.511 9.466 5.441 1.00 45.25 H new ATOM 0 HA ASN A 115 -5.106 9.725 7.807 1.00 42.10 H new ATOM 0 HB2 ASN A 115 -2.642 10.078 7.700 1.00 61.50 H new ATOM 0 HB3 ASN A 115 -2.880 11.457 6.645 1.00 61.50 H new ATOM 0 HD21 ASN A 115 -2.714 13.509 9.527 1.00 62.41 H new ATOM 0 HD22 ASN A 115 -1.995 13.035 7.984 1.00 62.41 H new ATOM 1827 N GLU A 116 -5.403 12.068 5.461 1.00 60.55 N ATOM 1828 CA GLU A 116 -6.329 13.040 4.851 1.00 3.22 C ATOM 1829 C GLU A 116 -6.823 12.445 3.527 1.00 53.21 C ATOM 1830 O GLU A 116 -6.038 12.299 2.578 1.00 71.21 O ATOM 1831 CB GLU A 116 -5.615 14.398 4.617 1.00 61.34 C ATOM 1832 CG GLU A 116 -5.124 15.072 5.911 1.00 2.23 C ATOM 1833 CD GLU A 116 -4.272 16.324 5.659 1.00 23.14 C ATOM 1834 OE1 GLU A 116 -3.263 16.219 4.928 1.00 42.02 O ATOM 1835 OE2 GLU A 116 -4.589 17.410 6.200 1.00 42.42 O ATOM 0 H GLU A 116 -4.538 11.945 4.935 1.00 60.55 H new ATOM 0 HA GLU A 116 -7.174 13.230 5.513 1.00 3.22 H new ATOM 0 HB2 GLU A 116 -4.764 14.241 3.954 1.00 61.34 H new ATOM 0 HB3 GLU A 116 -6.299 15.074 4.103 1.00 61.34 H new ATOM 0 HG2 GLU A 116 -5.986 15.344 6.520 1.00 2.23 H new ATOM 0 HG3 GLU A 116 -4.541 14.354 6.487 1.00 2.23 H new ATOM 1842 N ALA A 117 -8.103 12.040 3.499 1.00 12.42 N ATOM 1843 CA ALA A 117 -8.722 11.446 2.314 1.00 42.12 C ATOM 1844 C ALA A 117 -9.264 12.535 1.375 1.00 71.45 C ATOM 1845 O ALA A 117 -10.163 13.293 1.748 1.00 14.51 O ATOM 1846 CB ALA A 117 -9.845 10.479 2.751 1.00 20.31 C ATOM 0 H ALA A 117 -8.733 12.117 4.298 1.00 12.42 H new ATOM 0 HA ALA A 117 -7.969 10.885 1.761 1.00 42.12 H new ATOM 0 HB1 ALA A 117 -10.307 10.036 1.869 1.00 20.31 H new ATOM 0 HB2 ALA A 117 -9.424 9.691 3.375 1.00 20.31 H new ATOM 0 HB3 ALA A 117 -10.597 11.027 3.318 1.00 20.31 H new ATOM 1852 N ARG A 118 -8.670 12.629 0.175 1.00 64.25 N ATOM 1853 CA ARG A 118 -9.243 13.371 -0.962 1.00 10.41 C ATOM 1854 C ARG A 118 -9.685 12.306 -1.971 1.00 63.23 C ATOM 1855 O ARG A 118 -8.961 11.329 -2.171 1.00 72.45 O ATOM 1856 CB ARG A 118 -8.206 14.372 -1.576 1.00 11.14 C ATOM 1857 CG ARG A 118 -8.786 15.336 -2.640 1.00 12.25 C ATOM 1858 CD ARG A 118 -7.871 16.548 -2.956 1.00 13.53 C ATOM 1859 NE ARG A 118 -6.775 16.254 -3.904 1.00 73.30 N ATOM 1860 CZ ARG A 118 -5.456 16.352 -3.628 1.00 2.11 C ATOM 1861 NH1 ARG A 118 -5.025 16.716 -2.427 1.00 72.22 N ATOM 1862 NH2 ARG A 118 -4.569 16.118 -4.579 1.00 21.01 N ATOM 0 H ARG A 118 -7.774 12.190 -0.036 1.00 64.25 H new ATOM 0 HA ARG A 118 -10.086 13.990 -0.654 1.00 10.41 H new ATOM 0 HB2 ARG A 118 -7.771 14.962 -0.770 1.00 11.14 H new ATOM 0 HB3 ARG A 118 -7.394 13.801 -2.027 1.00 11.14 H new ATOM 0 HG2 ARG A 118 -8.966 14.780 -3.560 1.00 12.25 H new ATOM 0 HG3 ARG A 118 -9.753 15.703 -2.295 1.00 12.25 H new ATOM 0 HD2 ARG A 118 -8.482 17.353 -3.364 1.00 13.53 H new ATOM 0 HD3 ARG A 118 -7.441 16.916 -2.024 1.00 13.53 H new ATOM 0 HE ARG A 118 -7.036 15.953 -4.843 1.00 73.30 H new ATOM 0 HH11 ARG A 118 -5.695 16.929 -1.688 1.00 72.22 H new ATOM 0 HH12 ARG A 118 -4.024 16.783 -2.243 1.00 72.22 H new ATOM 0 HH21 ARG A 118 -4.881 15.865 -5.516 1.00 21.01 H new ATOM 0 HH22 ARG A 118 -3.572 16.191 -4.376 1.00 21.01 H new ATOM 1876 N THR A 119 -10.873 12.466 -2.573 1.00 23.04 N ATOM 1877 CA THR A 119 -11.431 11.462 -3.494 1.00 51.44 C ATOM 1878 C THR A 119 -10.522 11.332 -4.732 1.00 4.04 C ATOM 1879 O THR A 119 -10.273 10.226 -5.205 1.00 2.34 O ATOM 1880 CB THR A 119 -12.894 11.827 -3.909 1.00 71.30 C ATOM 1881 OG1 THR A 119 -13.656 12.180 -2.733 1.00 3.01 O ATOM 1882 CG2 THR A 119 -13.607 10.664 -4.641 1.00 25.41 C ATOM 0 H THR A 119 -11.468 13.283 -2.439 1.00 23.04 H new ATOM 0 HA THR A 119 -11.469 10.501 -2.982 1.00 51.44 H new ATOM 0 HB THR A 119 -12.834 12.669 -4.599 1.00 71.30 H new ATOM 0 HG1 THR A 119 -14.572 12.410 -2.994 1.00 3.01 H new ATOM 0 HG21 THR A 119 -14.619 10.968 -4.908 1.00 25.41 H new ATOM 0 HG22 THR A 119 -13.054 10.410 -5.545 1.00 25.41 H new ATOM 0 HG23 THR A 119 -13.650 9.794 -3.986 1.00 25.41 H new ATOM 1890 N GLU A 120 -9.979 12.480 -5.194 1.00 13.40 N ATOM 1891 CA GLU A 120 -8.994 12.521 -6.286 1.00 54.02 C ATOM 1892 C GLU A 120 -7.754 11.668 -5.943 1.00 5.55 C ATOM 1893 O GLU A 120 -7.387 10.781 -6.718 1.00 62.22 O ATOM 1894 CB GLU A 120 -8.539 13.979 -6.585 1.00 54.04 C ATOM 1895 CG GLU A 120 -7.566 14.079 -7.783 1.00 75.44 C ATOM 1896 CD GLU A 120 -6.829 15.420 -7.879 1.00 14.22 C ATOM 1897 OE1 GLU A 120 -5.889 15.627 -7.087 1.00 40.14 O ATOM 1898 OE2 GLU A 120 -7.172 16.263 -8.737 1.00 25.33 O ATOM 0 H GLU A 120 -10.213 13.399 -4.819 1.00 13.40 H new ATOM 0 HA GLU A 120 -9.482 12.113 -7.171 1.00 54.02 H new ATOM 0 HB2 GLU A 120 -9.417 14.593 -6.786 1.00 54.04 H new ATOM 0 HB3 GLU A 120 -8.057 14.392 -5.698 1.00 54.04 H new ATOM 0 HG2 GLU A 120 -6.831 13.277 -7.709 1.00 75.44 H new ATOM 0 HG3 GLU A 120 -8.124 13.916 -8.705 1.00 75.44 H new ATOM 1905 N THR A 121 -7.155 11.922 -4.747 1.00 33.34 N ATOM 1906 CA THR A 121 -5.929 11.225 -4.307 1.00 34.34 C ATOM 1907 C THR A 121 -6.175 9.727 -4.131 1.00 52.43 C ATOM 1908 O THR A 121 -5.297 8.928 -4.433 1.00 44.24 O ATOM 1909 CB THR A 121 -5.326 11.792 -2.976 1.00 72.51 C ATOM 1910 OG1 THR A 121 -6.305 11.853 -1.941 1.00 32.42 O ATOM 1911 CG2 THR A 121 -4.706 13.172 -3.158 1.00 41.12 C ATOM 0 H THR A 121 -7.507 12.605 -4.076 1.00 33.34 H new ATOM 0 HA THR A 121 -5.205 11.400 -5.103 1.00 34.34 H new ATOM 0 HB THR A 121 -4.538 11.096 -2.688 1.00 72.51 H new ATOM 0 HG1 THR A 121 -7.174 11.570 -2.295 1.00 32.42 H new ATOM 0 HG21 THR A 121 -4.303 13.518 -2.206 1.00 41.12 H new ATOM 0 HG22 THR A 121 -3.903 13.116 -3.893 1.00 41.12 H new ATOM 0 HG23 THR A 121 -5.468 13.870 -3.505 1.00 41.12 H new ATOM 1919 N LEU A 122 -7.385 9.368 -3.663 1.00 25.12 N ATOM 1920 CA LEU A 122 -7.784 7.975 -3.468 1.00 35.01 C ATOM 1921 C LEU A 122 -7.787 7.214 -4.804 1.00 74.31 C ATOM 1922 O LEU A 122 -7.068 6.232 -4.948 1.00 2.11 O ATOM 1923 CB LEU A 122 -9.192 7.887 -2.806 1.00 62.10 C ATOM 1924 CG LEU A 122 -9.723 6.438 -2.554 1.00 73.14 C ATOM 1925 CD1 LEU A 122 -8.816 5.667 -1.575 1.00 41.14 C ATOM 1926 CD2 LEU A 122 -11.196 6.437 -2.089 1.00 10.31 C ATOM 0 H LEU A 122 -8.109 10.041 -3.411 1.00 25.12 H new ATOM 0 HA LEU A 122 -7.055 7.513 -2.803 1.00 35.01 H new ATOM 0 HB2 LEU A 122 -9.161 8.416 -1.853 1.00 62.10 H new ATOM 0 HB3 LEU A 122 -9.906 8.413 -3.439 1.00 62.10 H new ATOM 0 HG LEU A 122 -9.692 5.913 -3.509 1.00 73.14 H new ATOM 0 HD11 LEU A 122 -9.215 4.664 -1.423 1.00 41.14 H new ATOM 0 HD12 LEU A 122 -7.810 5.599 -1.988 1.00 41.14 H new ATOM 0 HD13 LEU A 122 -8.781 6.192 -0.621 1.00 41.14 H new ATOM 0 HD21 LEU A 122 -11.525 5.411 -1.925 1.00 10.31 H new ATOM 0 HD22 LEU A 122 -11.284 6.999 -1.159 1.00 10.31 H new ATOM 0 HD23 LEU A 122 -11.819 6.900 -2.854 1.00 10.31 H new ATOM 1938 N ASN A 123 -8.546 7.727 -5.799 1.00 10.15 N ATOM 1939 CA ASN A 123 -8.745 7.033 -7.093 1.00 10.42 C ATOM 1940 C ASN A 123 -7.436 6.949 -7.888 1.00 73.35 C ATOM 1941 O ASN A 123 -7.175 5.946 -8.561 1.00 74.32 O ATOM 1942 CB ASN A 123 -9.840 7.729 -7.950 1.00 43.41 C ATOM 1943 CG ASN A 123 -11.245 7.617 -7.346 1.00 45.41 C ATOM 1944 OD1 ASN A 123 -11.879 6.561 -7.414 1.00 2.54 O ATOM 1945 ND2 ASN A 123 -11.772 8.715 -6.832 1.00 32.43 N ATOM 0 H ASN A 123 -9.032 8.621 -5.731 1.00 10.15 H new ATOM 0 HA ASN A 123 -9.078 6.021 -6.862 1.00 10.42 H new ATOM 0 HB2 ASN A 123 -9.585 8.782 -8.067 1.00 43.41 H new ATOM 0 HB3 ASN A 123 -9.845 7.290 -8.948 1.00 43.41 H new ATOM 0 HD21 ASN A 123 -12.728 8.704 -6.478 1.00 32.43 H new ATOM 0 HD22 ASN A 123 -11.222 9.573 -6.790 1.00 32.43 H new ATOM 1952 N SER A 124 -6.616 8.005 -7.786 1.00 65.34 N ATOM 1953 CA SER A 124 -5.330 8.088 -8.492 1.00 62.52 C ATOM 1954 C SER A 124 -4.264 7.206 -7.808 1.00 15.53 C ATOM 1955 O SER A 124 -3.366 6.690 -8.476 1.00 32.41 O ATOM 1956 CB SER A 124 -4.867 9.554 -8.574 1.00 23.31 C ATOM 1957 OG SER A 124 -4.785 10.141 -7.285 1.00 21.42 O ATOM 0 H SER A 124 -6.825 8.823 -7.214 1.00 65.34 H new ATOM 0 HA SER A 124 -5.465 7.710 -9.506 1.00 62.52 H new ATOM 0 HB2 SER A 124 -3.893 9.603 -9.061 1.00 23.31 H new ATOM 0 HB3 SER A 124 -5.562 10.123 -9.192 1.00 23.31 H new ATOM 0 HG SER A 124 -5.654 10.523 -7.044 1.00 21.42 H new ATOM 1963 N PHE A 125 -4.377 7.042 -6.470 1.00 10.20 N ATOM 1964 CA PHE A 125 -3.490 6.149 -5.688 1.00 51.33 C ATOM 1965 C PHE A 125 -3.776 4.689 -6.056 1.00 72.34 C ATOM 1966 O PHE A 125 -2.853 3.891 -6.244 1.00 74.12 O ATOM 1967 CB PHE A 125 -3.683 6.380 -4.167 1.00 13.23 C ATOM 1968 CG PHE A 125 -2.685 5.646 -3.277 1.00 44.33 C ATOM 1969 CD1 PHE A 125 -1.384 6.118 -3.135 1.00 14.34 C ATOM 1970 CD2 PHE A 125 -3.045 4.497 -2.574 1.00 50.11 C ATOM 1971 CE1 PHE A 125 -0.475 5.466 -2.328 1.00 21.43 C ATOM 1972 CE2 PHE A 125 -2.136 3.845 -1.766 1.00 64.53 C ATOM 1973 CZ PHE A 125 -0.850 4.332 -1.639 1.00 51.13 C ATOM 0 H PHE A 125 -5.079 7.520 -5.906 1.00 10.20 H new ATOM 0 HA PHE A 125 -2.452 6.378 -5.931 1.00 51.33 H new ATOM 0 HB2 PHE A 125 -3.612 7.449 -3.964 1.00 13.23 H new ATOM 0 HB3 PHE A 125 -4.691 6.070 -3.892 1.00 13.23 H new ATOM 0 HD1 PHE A 125 -1.081 7.009 -3.665 1.00 14.34 H new ATOM 0 HD2 PHE A 125 -4.050 4.112 -2.663 1.00 50.11 H new ATOM 0 HE1 PHE A 125 0.532 5.844 -2.236 1.00 21.43 H new ATOM 0 HE2 PHE A 125 -2.430 2.953 -1.233 1.00 64.53 H new ATOM 0 HZ PHE A 125 -0.140 3.826 -1.002 1.00 51.13 H new ATOM 1983 N ILE A 126 -5.081 4.383 -6.173 1.00 63.31 N ATOM 1984 CA ILE A 126 -5.591 3.093 -6.664 1.00 22.42 C ATOM 1985 C ILE A 126 -5.043 2.821 -8.082 1.00 54.03 C ATOM 1986 O ILE A 126 -4.568 1.724 -8.347 1.00 53.43 O ATOM 1987 CB ILE A 126 -7.170 3.088 -6.653 1.00 34.52 C ATOM 1988 CG1 ILE A 126 -7.710 3.224 -5.190 1.00 52.31 C ATOM 1989 CG2 ILE A 126 -7.753 1.830 -7.342 1.00 4.22 C ATOM 1990 CD1 ILE A 126 -9.188 3.564 -5.090 1.00 2.11 C ATOM 0 H ILE A 126 -5.822 5.038 -5.924 1.00 63.31 H new ATOM 0 HA ILE A 126 -5.250 2.296 -6.004 1.00 22.42 H new ATOM 0 HB ILE A 126 -7.503 3.951 -7.230 1.00 34.52 H new ATOM 0 HG12 ILE A 126 -7.529 2.288 -4.662 1.00 52.31 H new ATOM 0 HG13 ILE A 126 -7.137 3.996 -4.676 1.00 52.31 H new ATOM 0 HG21 ILE A 126 -8.842 1.870 -7.311 1.00 4.22 H new ATOM 0 HG22 ILE A 126 -7.421 1.797 -8.380 1.00 4.22 H new ATOM 0 HG23 ILE A 126 -7.407 0.937 -6.821 1.00 4.22 H new ATOM 0 HD11 ILE A 126 -9.474 3.638 -4.041 1.00 2.11 H new ATOM 0 HD12 ILE A 126 -9.377 4.516 -5.586 1.00 2.11 H new ATOM 0 HD13 ILE A 126 -9.775 2.782 -5.572 1.00 2.11 H new ATOM 2002 N SER A 127 -5.053 3.864 -8.951 1.00 70.41 N ATOM 2003 CA SER A 127 -4.519 3.778 -10.334 1.00 22.03 C ATOM 2004 C SER A 127 -3.025 3.379 -10.351 1.00 1.11 C ATOM 2005 O SER A 127 -2.606 2.559 -11.188 1.00 71.45 O ATOM 2006 CB SER A 127 -4.719 5.123 -11.071 1.00 51.33 C ATOM 2007 OG SER A 127 -6.091 5.491 -11.120 1.00 2.11 O ATOM 0 H SER A 127 -5.429 4.782 -8.714 1.00 70.41 H new ATOM 0 HA SER A 127 -5.076 2.997 -10.852 1.00 22.03 H new ATOM 0 HB2 SER A 127 -4.150 5.904 -10.567 1.00 51.33 H new ATOM 0 HB3 SER A 127 -4.325 5.046 -12.085 1.00 51.33 H new ATOM 0 HG SER A 127 -6.419 5.652 -10.211 1.00 2.11 H new ATOM 2013 N VAL A 128 -2.240 3.959 -9.409 1.00 22.43 N ATOM 2014 CA VAL A 128 -0.812 3.620 -9.233 1.00 44.30 C ATOM 2015 C VAL A 128 -0.668 2.127 -8.889 1.00 43.14 C ATOM 2016 O VAL A 128 0.045 1.397 -9.579 1.00 40.43 O ATOM 2017 CB VAL A 128 -0.128 4.509 -8.119 1.00 32.14 C ATOM 2018 CG1 VAL A 128 1.333 4.070 -7.852 1.00 34.31 C ATOM 2019 CG2 VAL A 128 -0.194 6.006 -8.496 1.00 35.12 C ATOM 0 H VAL A 128 -2.578 4.668 -8.758 1.00 22.43 H new ATOM 0 HA VAL A 128 -0.301 3.827 -10.173 1.00 44.30 H new ATOM 0 HB VAL A 128 -0.686 4.362 -7.194 1.00 32.14 H new ATOM 0 HG11 VAL A 128 1.768 4.705 -7.080 1.00 34.31 H new ATOM 0 HG12 VAL A 128 1.346 3.032 -7.518 1.00 34.31 H new ATOM 0 HG13 VAL A 128 1.914 4.163 -8.769 1.00 34.31 H new ATOM 0 HG21 VAL A 128 0.282 6.599 -7.715 1.00 35.12 H new ATOM 0 HG22 VAL A 128 0.325 6.166 -9.441 1.00 35.12 H new ATOM 0 HG23 VAL A 128 -1.236 6.310 -8.598 1.00 35.12 H new ATOM 2029 N LEU A 129 -1.404 1.693 -7.844 1.00 32.00 N ATOM 2030 CA LEU A 129 -1.414 0.291 -7.367 1.00 21.50 C ATOM 2031 C LEU A 129 -1.819 -0.705 -8.482 1.00 31.23 C ATOM 2032 O LEU A 129 -1.235 -1.786 -8.585 1.00 1.32 O ATOM 2033 CB LEU A 129 -2.360 0.146 -6.149 1.00 71.23 C ATOM 2034 CG LEU A 129 -2.040 1.069 -4.936 1.00 40.32 C ATOM 2035 CD1 LEU A 129 -3.131 0.950 -3.865 1.00 73.43 C ATOM 2036 CD2 LEU A 129 -0.632 0.794 -4.347 1.00 72.31 C ATOM 0 H LEU A 129 -2.012 2.308 -7.303 1.00 32.00 H new ATOM 0 HA LEU A 129 -0.396 0.044 -7.066 1.00 21.50 H new ATOM 0 HB2 LEU A 129 -3.380 0.348 -6.477 1.00 71.23 H new ATOM 0 HB3 LEU A 129 -2.333 -0.890 -5.812 1.00 71.23 H new ATOM 0 HG LEU A 129 -2.029 2.097 -5.299 1.00 40.32 H new ATOM 0 HD11 LEU A 129 -2.890 1.602 -3.026 1.00 73.43 H new ATOM 0 HD12 LEU A 129 -4.091 1.245 -4.289 1.00 73.43 H new ATOM 0 HD13 LEU A 129 -3.189 -0.082 -3.518 1.00 73.43 H new ATOM 0 HD21 LEU A 129 -0.454 1.461 -3.504 1.00 72.31 H new ATOM 0 HD22 LEU A 129 -0.575 -0.241 -4.009 1.00 72.31 H new ATOM 0 HD23 LEU A 129 0.123 0.968 -5.113 1.00 72.31 H new ATOM 2048 N GLU A 130 -2.791 -0.305 -9.329 1.00 31.13 N ATOM 2049 CA GLU A 130 -3.267 -1.124 -10.466 1.00 13.22 C ATOM 2050 C GLU A 130 -2.142 -1.329 -11.495 1.00 40.30 C ATOM 2051 O GLU A 130 -1.978 -2.429 -12.030 1.00 11.24 O ATOM 2052 CB GLU A 130 -4.498 -0.448 -11.139 1.00 51.33 C ATOM 2053 CG GLU A 130 -5.764 -0.370 -10.258 1.00 52.22 C ATOM 2054 CD GLU A 130 -6.503 -1.707 -10.089 1.00 10.13 C ATOM 2055 OE1 GLU A 130 -6.179 -2.478 -9.166 1.00 22.13 O ATOM 2056 OE2 GLU A 130 -7.431 -1.984 -10.885 1.00 64.54 O ATOM 0 H GLU A 130 -3.268 0.593 -9.245 1.00 31.13 H new ATOM 0 HA GLU A 130 -3.567 -2.100 -10.086 1.00 13.22 H new ATOM 0 HB2 GLU A 130 -4.220 0.562 -11.439 1.00 51.33 H new ATOM 0 HB3 GLU A 130 -4.741 -0.995 -12.050 1.00 51.33 H new ATOM 0 HG2 GLU A 130 -5.484 0.004 -9.273 1.00 52.22 H new ATOM 0 HG3 GLU A 130 -6.450 0.358 -10.692 1.00 52.22 H new ATOM 2063 N THR A 131 -1.377 -0.250 -11.758 1.00 32.05 N ATOM 2064 CA THR A 131 -0.229 -0.288 -12.685 1.00 72.51 C ATOM 2065 C THR A 131 0.882 -1.226 -12.156 1.00 51.35 C ATOM 2066 O THR A 131 1.358 -2.099 -12.881 1.00 33.12 O ATOM 2067 CB THR A 131 0.377 1.142 -12.909 1.00 71.33 C ATOM 2068 OG1 THR A 131 -0.670 2.087 -13.185 1.00 62.31 O ATOM 2069 CG2 THR A 131 1.390 1.172 -14.073 1.00 45.14 C ATOM 0 H THR A 131 -1.536 0.665 -11.337 1.00 32.05 H new ATOM 0 HA THR A 131 -0.604 -0.668 -13.635 1.00 72.51 H new ATOM 0 HB THR A 131 0.901 1.410 -11.991 1.00 71.33 H new ATOM 0 HG1 THR A 131 -1.181 2.257 -12.366 1.00 62.31 H new ATOM 0 HG21 THR A 131 1.781 2.183 -14.189 1.00 45.14 H new ATOM 0 HG22 THR A 131 2.211 0.487 -13.859 1.00 45.14 H new ATOM 0 HG23 THR A 131 0.894 0.867 -14.995 1.00 45.14 H new ATOM 2077 N VAL A 132 1.253 -1.036 -10.870 1.00 1.43 N ATOM 2078 CA VAL A 132 2.358 -1.773 -10.208 1.00 70.24 C ATOM 2079 C VAL A 132 2.074 -3.280 -10.164 1.00 42.10 C ATOM 2080 O VAL A 132 2.863 -4.085 -10.673 1.00 3.44 O ATOM 2081 CB VAL A 132 2.595 -1.233 -8.744 1.00 72.14 C ATOM 2082 CG1 VAL A 132 3.704 -2.028 -8.007 1.00 42.42 C ATOM 2083 CG2 VAL A 132 2.919 0.271 -8.789 1.00 20.31 C ATOM 0 H VAL A 132 0.793 -0.363 -10.257 1.00 1.43 H new ATOM 0 HA VAL A 132 3.259 -1.607 -10.798 1.00 70.24 H new ATOM 0 HB VAL A 132 1.677 -1.378 -8.174 1.00 72.14 H new ATOM 0 HG11 VAL A 132 3.835 -1.624 -7.003 1.00 42.42 H new ATOM 0 HG12 VAL A 132 3.417 -3.077 -7.941 1.00 42.42 H new ATOM 0 HG13 VAL A 132 4.641 -1.942 -8.558 1.00 42.42 H new ATOM 0 HG21 VAL A 132 3.082 0.639 -7.776 1.00 20.31 H new ATOM 0 HG22 VAL A 132 3.819 0.432 -9.382 1.00 20.31 H new ATOM 0 HG23 VAL A 132 2.086 0.809 -9.241 1.00 20.31 H new ATOM 2093 N ILE A 133 0.901 -3.622 -9.611 1.00 52.22 N ATOM 2094 CA ILE A 133 0.438 -5.008 -9.457 1.00 24.41 C ATOM 2095 C ILE A 133 0.263 -5.658 -10.843 1.00 31.23 C ATOM 2096 O ILE A 133 0.755 -6.763 -11.070 1.00 15.32 O ATOM 2097 CB ILE A 133 -0.908 -5.037 -8.624 1.00 4.20 C ATOM 2098 CG1 ILE A 133 -0.632 -4.592 -7.143 1.00 51.10 C ATOM 2099 CG2 ILE A 133 -1.629 -6.406 -8.695 1.00 62.53 C ATOM 2100 CD1 ILE A 133 -1.865 -4.493 -6.268 1.00 2.10 C ATOM 0 H ILE A 133 0.239 -2.934 -9.253 1.00 52.22 H new ATOM 0 HA ILE A 133 1.182 -5.585 -8.908 1.00 24.41 H new ATOM 0 HB ILE A 133 -1.595 -4.323 -9.079 1.00 4.20 H new ATOM 0 HG12 ILE A 133 0.062 -5.300 -6.689 1.00 51.10 H new ATOM 0 HG13 ILE A 133 -0.135 -3.622 -7.157 1.00 51.10 H new ATOM 0 HG21 ILE A 133 -2.545 -6.366 -8.105 1.00 62.53 H new ATOM 0 HG22 ILE A 133 -1.875 -6.634 -9.732 1.00 62.53 H new ATOM 0 HG23 ILE A 133 -0.975 -7.183 -8.298 1.00 62.53 H new ATOM 0 HD11 ILE A 133 -1.575 -4.180 -5.265 1.00 2.10 H new ATOM 0 HD12 ILE A 133 -2.554 -3.762 -6.692 1.00 2.10 H new ATOM 0 HD13 ILE A 133 -2.354 -5.466 -6.217 1.00 2.10 H new ATOM 2112 N GLY A 134 -0.369 -4.902 -11.766 1.00 44.51 N ATOM 2113 CA GLY A 134 -0.637 -5.351 -13.137 1.00 4.21 C ATOM 2114 C GLY A 134 0.617 -5.767 -13.904 1.00 0.52 C ATOM 2115 O GLY A 134 0.672 -6.869 -14.463 1.00 51.52 O ATOM 0 H GLY A 134 -0.707 -3.959 -11.574 1.00 44.51 H new ATOM 0 HA2 GLY A 134 -1.329 -6.193 -13.105 1.00 4.21 H new ATOM 0 HA3 GLY A 134 -1.136 -4.549 -13.681 1.00 4.21 H new ATOM 2119 N THR A 135 1.650 -4.899 -13.852 1.00 73.02 N ATOM 2120 CA THR A 135 2.954 -5.109 -14.532 1.00 45.20 C ATOM 2121 C THR A 135 3.636 -6.427 -14.070 1.00 14.41 C ATOM 2122 O THR A 135 4.445 -7.020 -14.789 1.00 21.33 O ATOM 2123 CB THR A 135 3.886 -3.869 -14.271 1.00 10.23 C ATOM 2124 OG1 THR A 135 3.252 -2.681 -14.783 1.00 30.24 O ATOM 2125 CG2 THR A 135 5.283 -3.999 -14.912 1.00 63.13 C ATOM 0 H THR A 135 1.605 -4.022 -13.332 1.00 73.02 H new ATOM 0 HA THR A 135 2.775 -5.204 -15.603 1.00 45.20 H new ATOM 0 HB THR A 135 4.032 -3.814 -13.192 1.00 10.23 H new ATOM 0 HG1 THR A 135 2.478 -2.457 -14.225 1.00 30.24 H new ATOM 0 HG21 THR A 135 5.870 -3.107 -14.690 1.00 63.13 H new ATOM 0 HG22 THR A 135 5.789 -4.876 -14.508 1.00 63.13 H new ATOM 0 HG23 THR A 135 5.179 -4.106 -15.992 1.00 63.13 H new ATOM 2133 N ILE A 136 3.265 -6.884 -12.876 1.00 31.43 N ATOM 2134 CA ILE A 136 3.776 -8.119 -12.282 1.00 1.42 C ATOM 2135 C ILE A 136 2.894 -9.328 -12.684 1.00 64.30 C ATOM 2136 O ILE A 136 3.421 -10.364 -13.107 1.00 22.41 O ATOM 2137 CB ILE A 136 3.848 -7.972 -10.720 1.00 70.13 C ATOM 2138 CG1 ILE A 136 4.698 -6.723 -10.335 1.00 20.13 C ATOM 2139 CG2 ILE A 136 4.403 -9.251 -10.048 1.00 64.23 C ATOM 2140 CD1 ILE A 136 4.649 -6.375 -8.865 1.00 23.43 C ATOM 0 H ILE A 136 2.590 -6.400 -12.284 1.00 31.43 H new ATOM 0 HA ILE A 136 4.782 -8.301 -12.661 1.00 1.42 H new ATOM 0 HB ILE A 136 2.833 -7.831 -10.349 1.00 70.13 H new ATOM 0 HG12 ILE A 136 5.735 -6.900 -10.622 1.00 20.13 H new ATOM 0 HG13 ILE A 136 4.349 -5.867 -10.912 1.00 20.13 H new ATOM 0 HG21 ILE A 136 4.437 -9.109 -8.968 1.00 64.23 H new ATOM 0 HG22 ILE A 136 3.755 -10.096 -10.283 1.00 64.23 H new ATOM 0 HG23 ILE A 136 5.408 -9.450 -10.420 1.00 64.23 H new ATOM 0 HD11 ILE A 136 5.265 -5.496 -8.679 1.00 23.43 H new ATOM 0 HD12 ILE A 136 3.620 -6.165 -8.575 1.00 23.43 H new ATOM 0 HD13 ILE A 136 5.027 -7.213 -8.280 1.00 23.43 H new ATOM 2152 N GLU A 137 1.551 -9.176 -12.621 1.00 73.52 N ATOM 2153 CA GLU A 137 0.606 -10.322 -12.753 1.00 10.22 C ATOM 2154 C GLU A 137 0.154 -10.557 -14.221 1.00 62.12 C ATOM 2155 O GLU A 137 -0.931 -11.107 -14.473 1.00 53.14 O ATOM 2156 CB GLU A 137 -0.584 -10.162 -11.743 1.00 14.51 C ATOM 2157 CG GLU A 137 -1.422 -8.865 -11.803 1.00 11.33 C ATOM 2158 CD GLU A 137 -2.508 -8.841 -12.890 1.00 25.33 C ATOM 2159 OE1 GLU A 137 -3.639 -9.274 -12.628 1.00 15.42 O ATOM 2160 OE2 GLU A 137 -2.245 -8.366 -14.008 1.00 1.50 O ATOM 0 H GLU A 137 1.093 -8.276 -12.480 1.00 73.52 H new ATOM 0 HA GLU A 137 1.134 -11.236 -12.483 1.00 10.22 H new ATOM 0 HB2 GLU A 137 -1.261 -11.003 -11.890 1.00 14.51 H new ATOM 0 HB3 GLU A 137 -0.179 -10.251 -10.735 1.00 14.51 H new ATOM 0 HG2 GLU A 137 -1.896 -8.712 -10.834 1.00 11.33 H new ATOM 0 HG3 GLU A 137 -0.749 -8.023 -11.965 1.00 11.33 H new ATOM 2167 N GLU A 138 1.047 -10.204 -15.173 1.00 3.12 N ATOM 2168 CA GLU A 138 0.833 -10.398 -16.623 1.00 10.31 C ATOM 2169 C GLU A 138 0.670 -11.894 -16.966 1.00 21.04 C ATOM 2170 O GLU A 138 1.585 -12.689 -16.722 1.00 71.14 O ATOM 2171 CB GLU A 138 2.030 -9.812 -17.424 1.00 45.44 C ATOM 2172 CG GLU A 138 2.292 -8.314 -17.190 1.00 41.14 C ATOM 2173 CD GLU A 138 3.465 -7.763 -18.025 1.00 54.14 C ATOM 2174 OE1 GLU A 138 4.634 -8.026 -17.674 1.00 21.24 O ATOM 2175 OE2 GLU A 138 3.227 -7.066 -19.041 1.00 43.12 O ATOM 0 H GLU A 138 1.945 -9.772 -14.953 1.00 3.12 H new ATOM 0 HA GLU A 138 -0.083 -9.876 -16.899 1.00 10.31 H new ATOM 0 HB2 GLU A 138 2.930 -10.369 -17.164 1.00 45.44 H new ATOM 0 HB3 GLU A 138 1.851 -9.973 -18.487 1.00 45.44 H new ATOM 0 HG2 GLU A 138 1.389 -7.752 -17.430 1.00 41.14 H new ATOM 0 HG3 GLU A 138 2.499 -8.149 -16.133 1.00 41.14 H new ATOM 2182 N ILE A 139 -0.490 -12.262 -17.540 1.00 61.14 N ATOM 2183 CA ILE A 139 -0.825 -13.657 -17.905 1.00 62.53 C ATOM 2184 C ILE A 139 -1.176 -13.757 -19.404 1.00 42.11 C ATOM 2185 O ILE A 139 -2.248 -13.334 -19.846 1.00 20.23 O ATOM 2186 CB ILE A 139 -1.991 -14.233 -17.006 1.00 21.14 C ATOM 2187 CG1 ILE A 139 -3.182 -13.222 -16.888 1.00 50.22 C ATOM 2188 CG2 ILE A 139 -1.434 -14.625 -15.625 1.00 65.11 C ATOM 2189 CD1 ILE A 139 -4.350 -13.685 -16.036 1.00 22.22 C ATOM 0 H ILE A 139 -1.229 -11.597 -17.767 1.00 61.14 H new ATOM 0 HA ILE A 139 0.057 -14.270 -17.718 1.00 62.53 H new ATOM 0 HB ILE A 139 -2.392 -15.127 -17.484 1.00 21.14 H new ATOM 0 HG12 ILE A 139 -2.803 -12.287 -16.476 1.00 50.22 H new ATOM 0 HG13 ILE A 139 -3.550 -13.003 -17.890 1.00 50.22 H new ATOM 0 HG21 ILE A 139 -2.239 -15.022 -15.007 1.00 65.11 H new ATOM 0 HG22 ILE A 139 -0.662 -15.385 -15.746 1.00 65.11 H new ATOM 0 HG23 ILE A 139 -1.006 -13.746 -15.143 1.00 65.11 H new ATOM 0 HD11 ILE A 139 -5.118 -12.912 -16.021 1.00 22.22 H new ATOM 0 HD12 ILE A 139 -4.765 -14.601 -16.455 1.00 22.22 H new ATOM 0 HD13 ILE A 139 -4.006 -13.874 -15.019 1.00 22.22 H new ATOM 2201 N LYS A 140 -0.219 -14.281 -20.178 1.00 40.31 N ATOM 2202 CA LYS A 140 -0.346 -14.497 -21.623 1.00 73.44 C ATOM 2203 C LYS A 140 -1.281 -15.700 -21.893 1.00 55.14 C ATOM 2204 O LYS A 140 -0.824 -16.839 -22.039 1.00 63.31 O ATOM 2205 CB LYS A 140 1.084 -14.705 -22.203 1.00 12.51 C ATOM 2206 CG LYS A 140 1.177 -14.896 -23.737 1.00 72.22 C ATOM 2207 CD LYS A 140 2.643 -15.020 -24.226 1.00 3.22 C ATOM 2208 CE LYS A 140 3.469 -13.758 -23.927 1.00 13.13 C ATOM 2209 NZ LYS A 140 4.908 -13.934 -24.275 1.00 11.30 N ATOM 0 H LYS A 140 0.686 -14.573 -19.808 1.00 40.31 H new ATOM 0 HA LYS A 140 -0.797 -13.637 -22.117 1.00 73.44 H new ATOM 0 HB2 LYS A 140 1.694 -13.845 -21.927 1.00 12.51 H new ATOM 0 HB3 LYS A 140 1.526 -15.577 -21.721 1.00 12.51 H new ATOM 0 HG2 LYS A 140 0.624 -15.790 -24.024 1.00 72.22 H new ATOM 0 HG3 LYS A 140 0.700 -14.052 -24.236 1.00 72.22 H new ATOM 0 HD2 LYS A 140 3.112 -15.880 -23.747 1.00 3.22 H new ATOM 0 HD3 LYS A 140 2.650 -15.210 -25.299 1.00 3.22 H new ATOM 0 HE2 LYS A 140 3.061 -12.917 -24.488 1.00 13.13 H new ATOM 0 HE3 LYS A 140 3.380 -13.509 -22.870 1.00 13.13 H new ATOM 0 HZ1 LYS A 140 5.427 -13.060 -24.057 1.00 11.30 H new ATOM 0 HZ2 LYS A 140 5.305 -14.720 -23.721 1.00 11.30 H new ATOM 0 HZ3 LYS A 140 4.996 -14.146 -25.289 1.00 11.30 H new ATOM 2223 N SER A 141 -2.598 -15.431 -21.862 1.00 41.53 N ATOM 2224 CA SER A 141 -3.640 -16.448 -22.035 1.00 21.53 C ATOM 2225 C SER A 141 -4.988 -15.736 -22.324 1.00 44.42 C ATOM 2226 O SER A 141 -5.474 -15.792 -23.475 1.00 40.54 O ATOM 2227 CB SER A 141 -3.733 -17.355 -20.773 1.00 64.35 C ATOM 2228 OG SER A 141 -4.590 -18.472 -20.983 1.00 60.04 O ATOM 2229 OXT SER A 141 -5.536 -15.080 -21.406 1.00 37.22 O ATOM 0 H SER A 141 -2.968 -14.492 -21.715 1.00 41.53 H new ATOM 0 HA SER A 141 -3.393 -17.094 -22.877 1.00 21.53 H new ATOM 0 HB2 SER A 141 -2.737 -17.707 -20.505 1.00 64.35 H new ATOM 0 HB3 SER A 141 -4.101 -16.769 -19.931 1.00 64.35 H new ATOM 0 HG SER A 141 -4.621 -19.018 -20.170 1.00 60.04 H new TER 2235 SER A 141