USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1309 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 82 GLN : amide:sc= -1.08 K(o=-3.9,f=-5.9) USER MOD Set 1.2: A 109 ASN : amide:sc= -2.97! C(o=-3.9!,f=-5.8!) USER MOD Set 1.3: A 114 ASN : amide:sc= 0.187 K(o=-3.9,f=-4.8) USER MOD Set 2.1: A 45 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 107 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.597) USER MOD Set 3.1: A 86 ASN : amide:sc= 0.552 K(o=-2,f=-3.2) USER MOD Set 3.2: A 138 ASN : amide:sc= -2.56! C(o=-2!,f=-7.3!) USER MOD Set 4.1: A 76 SER OG : rot 137:sc= 0.233 USER MOD Set 4.2: A 78 GLN : amide:sc= -7.12! C(o=-6.9!,f=-3.8!) USER MOD Set 5.1: A 49 TYR OH : rot 130:sc= 0.817 USER MOD Set 5.2: A 51 LYS NZ :NH3+ -117:sc= 1.07 (180deg=-0.108) USER MOD Set 6.1: A 47 CYS SG : rot 30:sc= 1.43 USER MOD Set 6.2: A 95 CYS SG : rot -97:sc= -4.63! USER MOD Set 7.1: A 28 TYR OH : rot -105:sc= 1.27 USER MOD Set 7.2: A 32 GLN : amide:sc= -0.317! C(o=-4.7!,f=-5.4!) USER MOD Set 7.3: A 33 HIS : no HE2:sc= -5.65! C(o=-4.7!,f=-19!) USER MOD Set 8.1: A 13 SER OG : rot -13:sc= 0.164 USER MOD Set 8.2: A 14 SER OG : rot -127:sc= 0.591 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -3.98! C(o=-4!,f=-3.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.335 K(o=0.33,f=-0.91) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0277 (180deg=-0.23) USER MOD Single : A 36 SER OG : rot 155:sc= 0.282 USER MOD Single : A 41 TYR OH : rot 90:sc= -3.16! USER MOD Single : A 42 ASN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.755 USER MOD Single : A 54 TYR OH : rot 71:sc= 0.221 USER MOD Single : A 56 THR OG1 : rot 78:sc= -2.02! USER MOD Single : A 58 THR OG1 : rot 91:sc= 0.2 USER MOD Single : A 59 THR OG1 : rot 91:sc= 1.15 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.926 K(o=0.93,f=-0.092) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.09) USER MOD Single : A 64 TYR OH : rot 171:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.02! C(o=-2!,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot 42:sc= -1.17! USER MOD Single : A 77 ASN : amide:sc= -2.8 K(o=-2.8,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.09) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= -0.0115 (180deg=-0.171) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 155:sc= -5.82! (180deg=-7.06!) USER MOD Single : A 111 ASN : amide:sc= -5.69! K(o=-5.7!,f=-1.6) USER MOD Single : A 116 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-14!) USER MOD Single : A 119 TYR OH : rot 162:sc= -0.764! USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -119:sc= -8.64! (180deg=-13.8!) USER MOD Single : A 123 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.858) USER MOD Single : A 124 LYS NZ :NH3+ 161:sc= -0.0857 (180deg=-0.501) USER MOD Single : A 125 THR OG1 : rot 55:sc= 1.27 USER MOD Single : A 126 LYS NZ :NH3+ -147:sc= 2.11 (180deg=0.123) USER MOD Single : A 132 THR OG1 : rot 150:sc= -1.39! USER MOD Single : A 133 LYS NZ :NH3+ -127:sc= -0.0788 (180deg=-0.515) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 82:sc= -1.58! USER MOD Single : A 141 SER OG : rot -101:sc= 2.17 USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ -162:sc= -0.0483 (180deg=-0.329) USER MOD Single : A 166 LYS NZ :NH3+ -165:sc= 0.83 (180deg=0.576) USER MOD Single : A 173 SER OG : rot -7:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -9.481 20.458 3.072 1.00 5.22 N ATOM 2 CA GLY A 10 -8.375 19.773 2.367 1.00 4.42 C ATOM 3 C GLY A 10 -8.607 19.724 0.873 1.00 3.29 C ATOM 4 O GLY A 10 -9.706 20.017 0.402 1.00 3.60 O ATOM 0 HA2 GLY A 10 -7.438 20.290 2.573 1.00 4.42 H new ATOM 0 HA3 GLY A 10 -8.271 18.759 2.752 1.00 4.42 H new ATOM 10 N MET A 11 -7.571 19.365 0.126 1.00 2.49 N ATOM 11 CA MET A 11 -7.673 19.252 -1.323 1.00 1.84 C ATOM 12 C MET A 11 -8.002 17.818 -1.712 1.00 1.40 C ATOM 13 O MET A 11 -8.624 17.564 -2.742 1.00 2.20 O ATOM 14 CB MET A 11 -6.367 19.682 -1.997 1.00 2.43 C ATOM 15 CG MET A 11 -5.965 21.120 -1.709 1.00 3.11 C ATOM 16 SD MET A 11 -4.446 21.593 -2.557 1.00 4.02 S ATOM 17 CE MET A 11 -4.227 23.265 -1.951 1.00 4.85 C ATOM 0 H MET A 11 -6.648 19.147 0.501 1.00 2.49 H new ATOM 0 HA MET A 11 -8.472 19.912 -1.661 1.00 1.84 H new ATOM 0 HB2 MET A 11 -5.566 19.019 -1.669 1.00 2.43 H new ATOM 0 HB3 MET A 11 -6.467 19.553 -3.075 1.00 2.43 H new ATOM 0 HG2 MET A 11 -6.771 21.788 -2.014 1.00 3.11 H new ATOM 0 HG3 MET A 11 -5.833 21.249 -0.635 1.00 3.11 H new ATOM 0 HE1 MET A 11 -3.325 23.695 -2.387 1.00 4.85 H new ATOM 0 HE2 MET A 11 -5.089 23.870 -2.232 1.00 4.85 H new ATOM 0 HE3 MET A 11 -4.133 23.249 -0.865 1.00 4.85 H new ATOM 27 N GLY A 12 -7.577 16.886 -0.873 1.00 0.92 N ATOM 28 CA GLY A 12 -7.843 15.489 -1.124 1.00 0.85 C ATOM 29 C GLY A 12 -9.169 15.053 -0.536 1.00 0.79 C ATOM 30 O GLY A 12 -9.484 15.376 0.609 1.00 1.55 O ATOM 0 H GLY A 12 -7.051 17.075 -0.020 1.00 0.92 H new ATOM 0 HA2 GLY A 12 -7.845 15.307 -2.199 1.00 0.85 H new ATOM 0 HA3 GLY A 12 -7.041 14.885 -0.700 1.00 0.85 H new ATOM 34 N SER A 13 -9.944 14.330 -1.320 1.00 0.52 N ATOM 35 CA SER A 13 -11.225 13.815 -0.870 1.00 0.53 C ATOM 36 C SER A 13 -11.147 12.301 -0.738 1.00 0.41 C ATOM 37 O SER A 13 -11.880 11.684 0.038 1.00 0.53 O ATOM 38 CB SER A 13 -12.325 14.214 -1.856 1.00 0.79 C ATOM 39 OG SER A 13 -12.032 13.766 -3.173 1.00 1.58 O ATOM 0 H SER A 13 -9.707 14.083 -2.281 1.00 0.52 H new ATOM 0 HA SER A 13 -11.466 14.241 0.104 1.00 0.53 H new ATOM 0 HB2 SER A 13 -13.277 13.793 -1.531 1.00 0.79 H new ATOM 0 HB3 SER A 13 -12.439 15.298 -1.856 1.00 0.79 H new ATOM 0 HG SER A 13 -11.096 13.479 -3.220 1.00 1.58 H new ATOM 45 N SER A 14 -10.223 11.725 -1.487 1.00 0.32 N ATOM 46 CA SER A 14 -9.984 10.318 -1.518 1.00 0.22 C ATOM 47 C SER A 14 -8.548 10.175 -1.913 1.00 0.21 C ATOM 48 O SER A 14 -7.904 11.149 -2.304 1.00 0.35 O ATOM 49 CB SER A 14 -10.888 9.623 -2.540 1.00 0.25 C ATOM 50 OG SER A 14 -12.186 10.198 -2.570 1.00 1.17 O ATOM 0 H SER A 14 -9.606 12.252 -2.105 1.00 0.32 H new ATOM 0 HA SER A 14 -10.198 9.856 -0.554 1.00 0.22 H new ATOM 0 HB2 SER A 14 -10.437 9.691 -3.530 1.00 0.25 H new ATOM 0 HB3 SER A 14 -10.965 8.563 -2.297 1.00 0.25 H new ATOM 0 HG SER A 14 -12.858 9.496 -2.446 1.00 1.17 H new ATOM 56 N ILE A 15 -8.039 8.999 -1.801 1.00 0.18 N ATOM 57 CA ILE A 15 -6.726 8.712 -2.290 1.00 0.18 C ATOM 58 C ILE A 15 -6.681 8.941 -3.804 1.00 0.17 C ATOM 59 O ILE A 15 -5.636 9.218 -4.385 1.00 0.19 O ATOM 60 CB ILE A 15 -6.386 7.261 -1.953 1.00 0.17 C ATOM 61 CG1 ILE A 15 -7.449 6.338 -2.539 1.00 0.18 C ATOM 62 CG2 ILE A 15 -6.316 7.083 -0.444 1.00 0.23 C ATOM 63 CD1 ILE A 15 -6.918 4.993 -2.965 1.00 0.38 C ATOM 0 H ILE A 15 -8.515 8.207 -1.370 1.00 0.18 H new ATOM 0 HA ILE A 15 -5.994 9.371 -1.822 1.00 0.18 H new ATOM 0 HB ILE A 15 -5.417 7.009 -2.383 1.00 0.17 H new ATOM 0 HG12 ILE A 15 -8.236 6.190 -1.800 1.00 0.18 H new ATOM 0 HG13 ILE A 15 -7.907 6.826 -3.399 1.00 0.18 H new ATOM 0 HG21 ILE A 15 -6.073 6.046 -0.211 1.00 0.23 H new ATOM 0 HG22 ILE A 15 -5.545 7.737 -0.036 1.00 0.23 H new ATOM 0 HG23 ILE A 15 -7.279 7.338 -0.002 1.00 0.23 H new ATOM 0 HD11 ILE A 15 -7.732 4.393 -3.371 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -6.152 5.129 -3.728 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -6.486 4.483 -2.104 1.00 0.38 H new ATOM 75 N PHE A 16 -7.860 8.896 -4.413 1.00 0.18 N ATOM 76 CA PHE A 16 -8.006 8.936 -5.860 1.00 0.19 C ATOM 77 C PHE A 16 -7.681 10.290 -6.474 1.00 0.21 C ATOM 78 O PHE A 16 -7.643 10.425 -7.698 1.00 0.30 O ATOM 79 CB PHE A 16 -9.424 8.587 -6.235 1.00 0.20 C ATOM 80 CG PHE A 16 -9.829 7.201 -5.886 1.00 0.19 C ATOM 81 CD1 PHE A 16 -8.997 6.141 -6.170 1.00 0.22 C ATOM 82 CD2 PHE A 16 -11.056 6.954 -5.313 1.00 0.18 C ATOM 83 CE1 PHE A 16 -9.384 4.854 -5.896 1.00 0.22 C ATOM 84 CE2 PHE A 16 -11.443 5.671 -5.024 1.00 0.19 C ATOM 85 CZ PHE A 16 -10.606 4.619 -5.322 1.00 0.19 C ATOM 0 H PHE A 16 -8.746 8.830 -3.912 1.00 0.18 H new ATOM 0 HA PHE A 16 -7.289 8.214 -6.252 1.00 0.19 H new ATOM 0 HB2 PHE A 16 -10.100 9.285 -5.741 1.00 0.20 H new ATOM 0 HB3 PHE A 16 -9.548 8.729 -7.309 1.00 0.20 H new ATOM 0 HD1 PHE A 16 -8.029 6.325 -6.613 1.00 0.22 H new ATOM 0 HD2 PHE A 16 -11.719 7.777 -5.089 1.00 0.18 H new ATOM 0 HE1 PHE A 16 -8.728 4.029 -6.132 1.00 0.22 H new ATOM 0 HE2 PHE A 16 -12.402 5.486 -4.564 1.00 0.19 H new ATOM 0 HZ PHE A 16 -10.913 3.607 -5.103 1.00 0.19 H new ATOM 95 N ASP A 17 -7.459 11.291 -5.647 1.00 0.21 N ATOM 96 CA ASP A 17 -7.105 12.606 -6.149 1.00 0.26 C ATOM 97 C ASP A 17 -5.654 12.578 -6.538 1.00 0.25 C ATOM 98 O ASP A 17 -5.113 13.532 -7.095 1.00 0.32 O ATOM 99 CB ASP A 17 -7.324 13.682 -5.095 1.00 0.32 C ATOM 100 CG ASP A 17 -8.774 13.793 -4.659 1.00 1.13 C ATOM 101 OD1 ASP A 17 -9.581 14.365 -5.416 1.00 1.30 O ATOM 102 OD2 ASP A 17 -9.114 13.318 -3.559 1.00 2.11 O ATOM 0 H ASP A 17 -7.516 11.222 -4.631 1.00 0.21 H new ATOM 0 HA ASP A 17 -7.738 12.845 -7.003 1.00 0.26 H new ATOM 0 HB2 ASP A 17 -6.704 13.464 -4.226 1.00 0.32 H new ATOM 0 HB3 ASP A 17 -6.994 14.643 -5.489 1.00 0.32 H new ATOM 107 N PHE A 18 -5.034 11.453 -6.241 1.00 0.22 N ATOM 108 CA PHE A 18 -3.633 11.288 -6.451 1.00 0.23 C ATOM 109 C PHE A 18 -3.383 10.161 -7.394 1.00 0.26 C ATOM 110 O PHE A 18 -3.677 9.001 -7.106 1.00 0.29 O ATOM 111 CB PHE A 18 -2.941 11.053 -5.137 1.00 0.21 C ATOM 112 CG PHE A 18 -3.130 12.206 -4.212 1.00 0.22 C ATOM 113 CD1 PHE A 18 -2.740 13.470 -4.583 1.00 0.27 C ATOM 114 CD2 PHE A 18 -3.684 12.016 -2.959 1.00 0.23 C ATOM 115 CE1 PHE A 18 -2.903 14.530 -3.726 1.00 0.31 C ATOM 116 CE2 PHE A 18 -3.849 13.076 -2.093 1.00 0.29 C ATOM 117 CZ PHE A 18 -3.503 14.358 -2.510 1.00 0.31 C ATOM 0 H PHE A 18 -5.499 10.635 -5.848 1.00 0.22 H new ATOM 0 HA PHE A 18 -3.228 12.198 -6.895 1.00 0.23 H new ATOM 0 HB2 PHE A 18 -3.331 10.146 -4.675 1.00 0.21 H new ATOM 0 HB3 PHE A 18 -1.877 10.892 -5.308 1.00 0.21 H new ATOM 0 HD1 PHE A 18 -2.302 13.631 -5.557 1.00 0.27 H new ATOM 0 HD2 PHE A 18 -3.991 11.026 -2.656 1.00 0.23 H new ATOM 0 HE1 PHE A 18 -2.554 15.510 -4.016 1.00 0.31 H new ATOM 0 HE2 PHE A 18 -4.243 12.913 -1.101 1.00 0.29 H new ATOM 0 HZ PHE A 18 -3.707 15.210 -1.878 1.00 0.31 H new ATOM 127 N GLU A 19 -2.899 10.542 -8.544 1.00 0.35 N ATOM 128 CA GLU A 19 -2.487 9.591 -9.552 1.00 0.43 C ATOM 129 C GLU A 19 -1.566 8.537 -8.951 1.00 0.34 C ATOM 130 O GLU A 19 -0.817 8.787 -7.999 1.00 0.37 O ATOM 131 CB GLU A 19 -1.781 10.282 -10.728 1.00 0.63 C ATOM 132 CG GLU A 19 -0.288 10.533 -10.522 1.00 1.08 C ATOM 133 CD GLU A 19 0.010 11.636 -9.531 1.00 2.04 C ATOM 134 OE1 GLU A 19 -0.235 12.813 -9.866 1.00 2.30 O ATOM 135 OE2 GLU A 19 0.500 11.341 -8.416 1.00 2.86 O ATOM 0 H GLU A 19 -2.777 11.518 -8.813 1.00 0.35 H new ATOM 0 HA GLU A 19 -3.389 9.110 -9.929 1.00 0.43 H new ATOM 0 HB2 GLU A 19 -1.912 9.672 -11.622 1.00 0.63 H new ATOM 0 HB3 GLU A 19 -2.272 11.236 -10.918 1.00 0.63 H new ATOM 0 HG2 GLU A 19 0.183 9.612 -10.180 1.00 1.08 H new ATOM 0 HG3 GLU A 19 0.165 10.785 -11.481 1.00 1.08 H new ATOM 142 N VAL A 20 -1.632 7.365 -9.517 1.00 0.29 N ATOM 143 CA VAL A 20 -0.748 6.289 -9.153 1.00 0.26 C ATOM 144 C VAL A 20 0.163 6.021 -10.326 1.00 0.25 C ATOM 145 O VAL A 20 -0.136 6.425 -11.439 1.00 0.28 O ATOM 146 CB VAL A 20 -1.548 5.027 -8.748 1.00 0.31 C ATOM 147 CG1 VAL A 20 -0.681 3.784 -8.702 1.00 0.67 C ATOM 148 CG2 VAL A 20 -2.180 5.266 -7.396 1.00 0.49 C ATOM 0 H VAL A 20 -2.303 7.126 -10.247 1.00 0.29 H new ATOM 0 HA VAL A 20 -0.152 6.566 -8.284 1.00 0.26 H new ATOM 0 HB VAL A 20 -2.313 4.852 -9.505 1.00 0.31 H new ATOM 0 HG11 VAL A 20 -1.289 2.927 -8.413 1.00 0.67 H new ATOM 0 HG12 VAL A 20 -0.247 3.606 -9.686 1.00 0.67 H new ATOM 0 HG13 VAL A 20 0.118 3.924 -7.974 1.00 0.67 H new ATOM 0 HG21 VAL A 20 -2.747 4.384 -7.098 1.00 0.49 H new ATOM 0 HG22 VAL A 20 -1.401 5.462 -6.660 1.00 0.49 H new ATOM 0 HG23 VAL A 20 -2.849 6.125 -7.454 1.00 0.49 H new ATOM 158 N LEU A 21 1.293 5.406 -10.080 1.00 0.28 N ATOM 159 CA LEU A 21 2.270 5.208 -11.120 1.00 0.35 C ATOM 160 C LEU A 21 2.660 3.762 -11.219 1.00 0.38 C ATOM 161 O LEU A 21 3.347 3.270 -10.340 1.00 0.58 O ATOM 162 CB LEU A 21 3.505 6.050 -10.821 1.00 0.45 C ATOM 163 CG LEU A 21 3.250 7.547 -10.844 1.00 0.46 C ATOM 164 CD1 LEU A 21 4.474 8.316 -10.393 1.00 0.69 C ATOM 165 CD2 LEU A 21 2.839 7.955 -12.235 1.00 0.68 C ATOM 0 H LEU A 21 1.559 5.034 -9.168 1.00 0.28 H new ATOM 0 HA LEU A 21 1.833 5.513 -12.071 1.00 0.35 H new ATOM 0 HB2 LEU A 21 3.893 5.773 -9.841 1.00 0.45 H new ATOM 0 HB3 LEU A 21 4.280 5.812 -11.550 1.00 0.45 H new ATOM 0 HG LEU A 21 2.446 7.784 -10.147 1.00 0.46 H new ATOM 0 HD11 LEU A 21 4.262 9.385 -10.420 1.00 0.69 H new ATOM 0 HD12 LEU A 21 4.734 8.023 -9.376 1.00 0.69 H new ATOM 0 HD13 LEU A 21 5.308 8.095 -11.059 1.00 0.69 H new ATOM 0 HD21 LEU A 21 2.654 9.029 -12.259 1.00 0.68 H new ATOM 0 HD22 LEU A 21 3.635 7.708 -12.937 1.00 0.68 H new ATOM 0 HD23 LEU A 21 1.930 7.424 -12.516 1.00 0.68 H new ATOM 177 N ASP A 22 2.233 3.096 -12.293 1.00 0.33 N ATOM 178 CA ASP A 22 2.707 1.748 -12.604 1.00 0.37 C ATOM 179 C ASP A 22 4.215 1.739 -12.464 1.00 0.35 C ATOM 180 O ASP A 22 4.841 2.790 -12.540 1.00 0.40 O ATOM 181 CB ASP A 22 2.320 1.385 -14.041 1.00 0.50 C ATOM 182 CG ASP A 22 2.748 -0.012 -14.437 1.00 1.16 C ATOM 183 OD1 ASP A 22 3.877 -0.171 -14.941 1.00 1.87 O ATOM 184 OD2 ASP A 22 1.954 -0.958 -14.248 1.00 1.48 O ATOM 0 H ASP A 22 1.559 3.469 -12.962 1.00 0.33 H new ATOM 0 HA ASP A 22 2.259 1.021 -11.926 1.00 0.37 H new ATOM 0 HB2 ASP A 22 1.239 1.473 -14.153 1.00 0.50 H new ATOM 0 HB3 ASP A 22 2.771 2.104 -14.725 1.00 0.50 H new ATOM 189 N ALA A 23 4.791 0.562 -12.260 1.00 0.39 N ATOM 190 CA ALA A 23 6.189 0.427 -11.852 1.00 0.42 C ATOM 191 C ALA A 23 7.167 1.167 -12.781 1.00 0.47 C ATOM 192 O ALA A 23 8.348 1.303 -12.461 1.00 0.59 O ATOM 193 CB ALA A 23 6.561 -1.044 -11.771 1.00 0.52 C ATOM 0 H ALA A 23 4.305 -0.328 -12.372 1.00 0.39 H new ATOM 0 HA ALA A 23 6.278 0.894 -10.871 1.00 0.42 H new ATOM 0 HB1 ALA A 23 7.603 -1.139 -11.467 1.00 0.52 H new ATOM 0 HB2 ALA A 23 5.923 -1.541 -11.040 1.00 0.52 H new ATOM 0 HB3 ALA A 23 6.424 -1.508 -12.748 1.00 0.52 H new ATOM 199 N ASP A 24 6.664 1.638 -13.921 1.00 0.46 N ATOM 200 CA ASP A 24 7.462 2.370 -14.897 1.00 0.54 C ATOM 201 C ASP A 24 7.379 3.892 -14.681 1.00 0.51 C ATOM 202 O ASP A 24 8.067 4.653 -15.356 1.00 0.62 O ATOM 203 CB ASP A 24 6.961 2.017 -16.297 1.00 0.69 C ATOM 204 CG ASP A 24 7.869 2.515 -17.404 1.00 1.43 C ATOM 205 OD1 ASP A 24 9.101 2.371 -17.284 1.00 1.51 O ATOM 206 OD2 ASP A 24 7.347 3.023 -18.418 1.00 2.34 O ATOM 0 H ASP A 24 5.688 1.521 -14.192 1.00 0.46 H new ATOM 0 HA ASP A 24 8.507 2.083 -14.778 1.00 0.54 H new ATOM 0 HB2 ASP A 24 6.862 0.934 -16.377 1.00 0.69 H new ATOM 0 HB3 ASP A 24 5.966 2.439 -16.436 1.00 0.69 H new ATOM 211 N HIS A 25 6.514 4.323 -13.746 1.00 0.43 N ATOM 212 CA HIS A 25 6.281 5.745 -13.445 1.00 0.44 C ATOM 213 C HIS A 25 5.298 6.311 -14.446 1.00 0.47 C ATOM 214 O HIS A 25 5.260 7.511 -14.708 1.00 0.54 O ATOM 215 CB HIS A 25 7.568 6.589 -13.401 1.00 0.54 C ATOM 216 CG HIS A 25 8.365 6.407 -12.147 1.00 0.64 C ATOM 217 ND1 HIS A 25 8.260 7.240 -11.054 1.00 0.73 N ATOM 218 CD2 HIS A 25 9.267 5.462 -11.810 1.00 1.47 C ATOM 219 CE1 HIS A 25 9.063 6.808 -10.095 1.00 0.59 C ATOM 220 NE2 HIS A 25 9.689 5.732 -10.530 1.00 1.26 N ATOM 0 H HIS A 25 5.954 3.690 -13.175 1.00 0.43 H new ATOM 0 HA HIS A 25 5.867 5.798 -12.438 1.00 0.44 H new ATOM 0 HB2 HIS A 25 8.191 6.330 -14.257 1.00 0.54 H new ATOM 0 HB3 HIS A 25 7.305 7.642 -13.504 1.00 0.54 H new ATOM 0 HD2 HIS A 25 9.597 4.643 -12.432 1.00 1.47 H new ATOM 0 HE1 HIS A 25 9.185 7.260 -9.122 1.00 0.59 H new ATOM 0 HE2 HIS A 25 10.374 5.189 -10.003 1.00 1.26 H new ATOM 229 N LYS A 26 4.502 5.411 -14.995 1.00 0.48 N ATOM 230 CA LYS A 26 3.442 5.766 -15.915 1.00 0.53 C ATOM 231 C LYS A 26 2.118 5.612 -15.199 1.00 0.41 C ATOM 232 O LYS A 26 1.838 4.556 -14.637 1.00 0.38 O ATOM 233 CB LYS A 26 3.500 4.865 -17.140 1.00 0.67 C ATOM 234 CG LYS A 26 4.883 4.818 -17.757 1.00 1.00 C ATOM 235 CD LYS A 26 5.373 6.200 -18.163 1.00 2.12 C ATOM 236 CE LYS A 26 6.873 6.334 -17.956 1.00 3.15 C ATOM 237 NZ LYS A 26 7.388 7.643 -18.432 1.00 4.25 N ATOM 0 H LYS A 26 4.575 4.410 -14.813 1.00 0.48 H new ATOM 0 HA LYS A 26 3.557 6.797 -16.249 1.00 0.53 H new ATOM 0 HB2 LYS A 26 3.195 3.856 -16.861 1.00 0.67 H new ATOM 0 HB3 LYS A 26 2.786 5.220 -17.883 1.00 0.67 H new ATOM 0 HG2 LYS A 26 5.583 4.380 -17.045 1.00 1.00 H new ATOM 0 HG3 LYS A 26 4.868 4.167 -18.631 1.00 1.00 H new ATOM 0 HD2 LYS A 26 5.130 6.382 -19.210 1.00 2.12 H new ATOM 0 HD3 LYS A 26 4.853 6.959 -17.579 1.00 2.12 H new ATOM 0 HE2 LYS A 26 7.104 6.217 -16.897 1.00 3.15 H new ATOM 0 HE3 LYS A 26 7.385 5.530 -18.485 1.00 3.15 H new ATOM 0 HZ1 LYS A 26 8.414 7.691 -18.272 1.00 4.25 H new ATOM 0 HZ2 LYS A 26 7.191 7.745 -19.448 1.00 4.25 H new ATOM 0 HZ3 LYS A 26 6.920 8.411 -17.910 1.00 4.25 H new ATOM 251 N PRO A 27 1.303 6.669 -15.189 1.00 0.41 N ATOM 252 CA PRO A 27 0.124 6.740 -14.325 1.00 0.37 C ATOM 253 C PRO A 27 -0.818 5.545 -14.438 1.00 0.32 C ATOM 254 O PRO A 27 -1.433 5.285 -15.476 1.00 0.36 O ATOM 255 CB PRO A 27 -0.561 8.028 -14.783 1.00 0.46 C ATOM 256 CG PRO A 27 0.557 8.860 -15.302 1.00 0.54 C ATOM 257 CD PRO A 27 1.471 7.892 -15.993 1.00 0.50 C ATOM 0 HA PRO A 27 0.408 6.728 -13.273 1.00 0.37 H new ATOM 0 HB2 PRO A 27 -1.306 7.832 -15.555 1.00 0.46 H new ATOM 0 HB3 PRO A 27 -1.077 8.521 -13.959 1.00 0.46 H new ATOM 0 HG2 PRO A 27 0.195 9.622 -15.992 1.00 0.54 H new ATOM 0 HG3 PRO A 27 1.071 9.380 -14.493 1.00 0.54 H new ATOM 0 HD2 PRO A 27 1.186 7.736 -17.034 1.00 0.50 H new ATOM 0 HD3 PRO A 27 2.504 8.239 -15.994 1.00 0.50 H new ATOM 265 N TYR A 28 -0.892 4.828 -13.329 1.00 0.28 N ATOM 266 CA TYR A 28 -1.920 3.833 -13.066 1.00 0.26 C ATOM 267 C TYR A 28 -3.182 4.532 -12.564 1.00 0.25 C ATOM 268 O TYR A 28 -3.118 5.333 -11.631 1.00 0.37 O ATOM 269 CB TYR A 28 -1.391 2.865 -12.003 1.00 0.30 C ATOM 270 CG TYR A 28 -2.334 1.783 -11.531 1.00 0.37 C ATOM 271 CD1 TYR A 28 -3.256 1.247 -12.416 1.00 0.50 C ATOM 272 CD2 TYR A 28 -2.333 1.319 -10.225 1.00 0.82 C ATOM 273 CE1 TYR A 28 -4.150 0.279 -12.028 1.00 0.64 C ATOM 274 CE2 TYR A 28 -3.222 0.344 -9.823 1.00 1.10 C ATOM 275 CZ TYR A 28 -4.003 -0.233 -10.603 1.00 0.92 C ATOM 276 OH TYR A 28 -5.018 -1.149 -10.319 1.00 1.20 O ATOM 0 H TYR A 28 -0.221 4.924 -12.566 1.00 0.28 H new ATOM 0 HA TYR A 28 -2.164 3.283 -13.975 1.00 0.26 H new ATOM 0 HB2 TYR A 28 -0.495 2.385 -12.397 1.00 0.30 H new ATOM 0 HB3 TYR A 28 -1.084 3.449 -11.135 1.00 0.30 H new ATOM 0 HD1 TYR A 28 -3.272 1.599 -13.437 1.00 0.50 H new ATOM 0 HD2 TYR A 28 -1.628 1.725 -9.514 1.00 0.82 H new ATOM 0 HE1 TYR A 28 -4.912 -0.096 -12.695 1.00 0.64 H new ATOM 0 HE2 TYR A 28 -3.242 0.067 -8.779 1.00 1.10 H new ATOM 0 HH TYR A 28 -5.684 -0.729 -9.736 1.00 1.20 H new ATOM 286 N ASN A 29 -4.319 4.246 -13.185 1.00 0.34 N ATOM 287 CA ASN A 29 -5.570 4.870 -12.772 1.00 0.42 C ATOM 288 C ASN A 29 -6.078 4.264 -11.465 1.00 0.34 C ATOM 289 O ASN A 29 -6.798 3.267 -11.438 1.00 0.44 O ATOM 290 CB ASN A 29 -6.638 4.840 -13.892 1.00 0.67 C ATOM 291 CG ASN A 29 -6.857 3.486 -14.565 1.00 0.73 C ATOM 292 OD1 ASN A 29 -7.076 3.421 -15.775 1.00 1.18 O ATOM 293 ND2 ASN A 29 -6.842 2.410 -13.801 1.00 1.51 N ATOM 0 H ASN A 29 -4.402 3.595 -13.966 1.00 0.34 H new ATOM 0 HA ASN A 29 -5.365 5.924 -12.583 1.00 0.42 H new ATOM 0 HB2 ASN A 29 -7.587 5.174 -13.472 1.00 0.67 H new ATOM 0 HB3 ASN A 29 -6.356 5.563 -14.657 1.00 0.67 H new ATOM 0 HD21 ASN A 29 -7.015 1.492 -14.210 1.00 1.51 H new ATOM 0 HD22 ASN A 29 -6.657 2.497 -12.802 1.00 1.51 H new ATOM 300 N LEU A 30 -5.677 4.881 -10.372 1.00 0.25 N ATOM 301 CA LEU A 30 -6.047 4.424 -9.044 1.00 0.20 C ATOM 302 C LEU A 30 -7.563 4.387 -8.893 1.00 0.19 C ATOM 303 O LEU A 30 -8.125 3.477 -8.280 1.00 0.19 O ATOM 304 CB LEU A 30 -5.455 5.378 -8.010 1.00 0.22 C ATOM 305 CG LEU A 30 -5.855 5.142 -6.562 1.00 0.22 C ATOM 306 CD1 LEU A 30 -5.301 3.824 -6.061 1.00 0.23 C ATOM 307 CD2 LEU A 30 -5.363 6.291 -5.706 1.00 0.28 C ATOM 0 H LEU A 30 -5.086 5.712 -10.377 1.00 0.25 H new ATOM 0 HA LEU A 30 -5.659 3.417 -8.892 1.00 0.20 H new ATOM 0 HB2 LEU A 30 -4.368 5.323 -8.077 1.00 0.22 H new ATOM 0 HB3 LEU A 30 -5.740 6.395 -8.281 1.00 0.22 H new ATOM 0 HG LEU A 30 -6.942 5.092 -6.498 1.00 0.22 H new ATOM 0 HD11 LEU A 30 -5.599 3.675 -5.023 1.00 0.23 H new ATOM 0 HD12 LEU A 30 -5.692 3.010 -6.671 1.00 0.23 H new ATOM 0 HD13 LEU A 30 -4.213 3.838 -6.128 1.00 0.23 H new ATOM 0 HD21 LEU A 30 -5.650 6.121 -4.668 1.00 0.28 H new ATOM 0 HD22 LEU A 30 -4.277 6.358 -5.776 1.00 0.28 H new ATOM 0 HD23 LEU A 30 -5.807 7.222 -6.057 1.00 0.28 H new ATOM 319 N VAL A 31 -8.208 5.364 -9.518 1.00 0.20 N ATOM 320 CA VAL A 31 -9.643 5.601 -9.372 1.00 0.19 C ATOM 321 C VAL A 31 -10.498 4.483 -9.956 1.00 0.20 C ATOM 322 O VAL A 31 -11.718 4.557 -9.905 1.00 0.23 O ATOM 323 CB VAL A 31 -10.060 6.907 -10.064 1.00 0.22 C ATOM 324 CG1 VAL A 31 -9.682 8.124 -9.257 1.00 1.02 C ATOM 325 CG2 VAL A 31 -9.402 6.985 -11.402 1.00 0.87 C ATOM 0 H VAL A 31 -7.747 6.022 -10.147 1.00 0.20 H new ATOM 0 HA VAL A 31 -9.815 5.653 -8.297 1.00 0.19 H new ATOM 0 HB VAL A 31 -11.145 6.897 -10.165 1.00 0.22 H new ATOM 0 HG11 VAL A 31 -9.997 9.024 -9.786 1.00 1.02 H new ATOM 0 HG12 VAL A 31 -10.174 8.083 -8.285 1.00 1.02 H new ATOM 0 HG13 VAL A 31 -8.601 8.146 -9.116 1.00 1.02 H new ATOM 0 HG21 VAL A 31 -9.695 7.910 -11.898 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -8.319 6.967 -11.277 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -9.711 6.134 -12.010 1.00 0.87 H new ATOM 335 N GLN A 32 -9.890 3.463 -10.536 1.00 0.21 N ATOM 336 CA GLN A 32 -10.680 2.343 -11.021 1.00 0.23 C ATOM 337 C GLN A 32 -11.091 1.468 -9.852 1.00 0.22 C ATOM 338 O GLN A 32 -11.982 0.630 -9.966 1.00 0.28 O ATOM 339 CB GLN A 32 -9.932 1.504 -12.057 1.00 0.26 C ATOM 340 CG GLN A 32 -8.721 0.780 -11.502 1.00 0.29 C ATOM 341 CD GLN A 32 -8.262 -0.344 -12.404 1.00 0.35 C ATOM 342 OE1 GLN A 32 -9.065 -0.984 -13.081 1.00 1.02 O ATOM 343 NE2 GLN A 32 -6.966 -0.578 -12.435 1.00 0.75 N ATOM 0 H GLN A 32 -8.883 3.385 -10.680 1.00 0.21 H new ATOM 0 HA GLN A 32 -11.561 2.754 -11.514 1.00 0.23 H new ATOM 0 HB2 GLN A 32 -10.619 0.771 -12.481 1.00 0.26 H new ATOM 0 HB3 GLN A 32 -9.613 2.152 -12.873 1.00 0.26 H new ATOM 0 HG2 GLN A 32 -7.906 1.491 -11.367 1.00 0.29 H new ATOM 0 HG3 GLN A 32 -8.960 0.378 -10.517 1.00 0.29 H new ATOM 0 HE21 GLN A 32 -6.334 -0.024 -11.857 1.00 0.75 H new ATOM 0 HE22 GLN A 32 -6.595 -1.313 -13.037 1.00 0.75 H new ATOM 352 N HIS A 33 -10.426 1.678 -8.724 1.00 0.17 N ATOM 353 CA HIS A 33 -10.786 1.000 -7.480 1.00 0.16 C ATOM 354 C HIS A 33 -11.859 1.795 -6.759 1.00 0.16 C ATOM 355 O HIS A 33 -11.973 1.773 -5.539 1.00 0.17 O ATOM 356 CB HIS A 33 -9.534 0.767 -6.620 1.00 0.16 C ATOM 357 CG HIS A 33 -8.595 -0.145 -7.324 1.00 0.16 C ATOM 358 ND1 HIS A 33 -8.938 -1.444 -7.603 1.00 0.21 N ATOM 359 CD2 HIS A 33 -7.375 0.061 -7.898 1.00 0.22 C ATOM 360 CE1 HIS A 33 -7.993 -2.006 -8.314 1.00 0.27 C ATOM 361 NE2 HIS A 33 -7.034 -1.115 -8.518 1.00 0.28 N ATOM 0 H HIS A 33 -9.632 2.313 -8.642 1.00 0.17 H new ATOM 0 HA HIS A 33 -11.203 0.016 -7.696 1.00 0.16 H new ATOM 0 HB2 HIS A 33 -9.043 1.718 -6.413 1.00 0.16 H new ATOM 0 HB3 HIS A 33 -9.818 0.339 -5.659 1.00 0.16 H new ATOM 0 HD1 HIS A 33 -9.798 -1.902 -7.302 1.00 0.21 H new ATOM 0 HD2 HIS A 33 -6.792 0.970 -7.870 1.00 0.22 H new ATOM 0 HE1 HIS A 33 -7.995 -3.024 -8.674 1.00 0.27 H new ATOM 370 N LYS A 34 -12.632 2.514 -7.557 1.00 0.19 N ATOM 371 CA LYS A 34 -13.806 3.210 -7.085 1.00 0.19 C ATOM 372 C LYS A 34 -14.967 2.239 -6.972 1.00 0.21 C ATOM 373 O LYS A 34 -15.314 1.551 -7.935 1.00 0.33 O ATOM 374 CB LYS A 34 -14.168 4.338 -8.050 1.00 0.22 C ATOM 375 CG LYS A 34 -13.519 5.657 -7.710 1.00 0.28 C ATOM 376 CD LYS A 34 -13.926 6.738 -8.693 1.00 0.69 C ATOM 377 CE LYS A 34 -13.326 8.066 -8.298 1.00 1.01 C ATOM 378 NZ LYS A 34 -13.907 8.578 -7.025 1.00 1.56 N ATOM 0 H LYS A 34 -12.457 2.628 -8.555 1.00 0.19 H new ATOM 0 HA LYS A 34 -13.596 3.636 -6.104 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -13.876 4.049 -9.059 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.250 4.466 -8.056 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -13.802 5.955 -6.700 1.00 0.28 H new ATOM 0 HG3 LYS A 34 -12.435 5.544 -7.717 1.00 0.28 H new ATOM 0 HD2 LYS A 34 -13.597 6.468 -9.696 1.00 0.69 H new ATOM 0 HD3 LYS A 34 -15.013 6.818 -8.725 1.00 0.69 H new ATOM 0 HE2 LYS A 34 -12.247 7.959 -8.188 1.00 1.01 H new ATOM 0 HE3 LYS A 34 -13.495 8.792 -9.093 1.00 1.01 H new ATOM 0 HZ1 LYS A 34 -13.671 9.585 -6.916 1.00 1.56 H new ATOM 0 HZ2 LYS A 34 -14.941 8.465 -7.045 1.00 1.56 H new ATOM 0 HZ3 LYS A 34 -13.516 8.042 -6.224 1.00 1.56 H new ATOM 392 N GLY A 35 -15.546 2.168 -5.795 1.00 0.18 N ATOM 393 CA GLY A 35 -16.663 1.289 -5.579 1.00 0.20 C ATOM 394 C GLY A 35 -16.309 0.135 -4.671 1.00 0.17 C ATOM 395 O GLY A 35 -17.109 -0.247 -3.815 1.00 0.20 O ATOM 0 H GLY A 35 -15.260 2.708 -4.978 1.00 0.18 H new ATOM 0 HA2 GLY A 35 -17.489 1.852 -5.144 1.00 0.20 H new ATOM 0 HA3 GLY A 35 -17.011 0.903 -6.537 1.00 0.20 H new ATOM 399 N SER A 36 -15.116 -0.426 -4.835 1.00 0.16 N ATOM 400 CA SER A 36 -14.659 -1.461 -3.953 1.00 0.16 C ATOM 401 C SER A 36 -13.336 -1.043 -3.362 1.00 0.14 C ATOM 402 O SER A 36 -12.421 -0.658 -4.088 1.00 0.16 O ATOM 403 CB SER A 36 -14.514 -2.777 -4.702 1.00 0.20 C ATOM 404 OG SER A 36 -15.710 -3.095 -5.396 1.00 0.29 O ATOM 0 H SER A 36 -14.459 -0.173 -5.573 1.00 0.16 H new ATOM 0 HA SER A 36 -15.388 -1.610 -3.156 1.00 0.16 H new ATOM 0 HB2 SER A 36 -13.686 -2.710 -5.407 1.00 0.20 H new ATOM 0 HB3 SER A 36 -14.272 -3.575 -4.001 1.00 0.20 H new ATOM 0 HG SER A 36 -15.503 -3.683 -6.152 1.00 0.29 H new ATOM 410 N PRO A 37 -13.254 -1.069 -2.031 1.00 0.12 N ATOM 411 CA PRO A 37 -12.045 -0.767 -1.278 1.00 0.12 C ATOM 412 C PRO A 37 -10.800 -1.387 -1.882 1.00 0.12 C ATOM 413 O PRO A 37 -10.863 -2.369 -2.615 1.00 0.15 O ATOM 414 CB PRO A 37 -12.331 -1.374 0.107 1.00 0.15 C ATOM 415 CG PRO A 37 -13.619 -2.093 -0.038 1.00 0.18 C ATOM 416 CD PRO A 37 -14.347 -1.385 -1.128 1.00 0.15 C ATOM 0 HA PRO A 37 -11.838 0.303 -1.262 1.00 0.12 H new ATOM 0 HB2 PRO A 37 -11.534 -2.053 0.411 1.00 0.15 H new ATOM 0 HB3 PRO A 37 -12.397 -0.598 0.870 1.00 0.15 H new ATOM 0 HG2 PRO A 37 -13.458 -3.141 -0.290 1.00 0.18 H new ATOM 0 HG3 PRO A 37 -14.187 -2.072 0.892 1.00 0.18 H new ATOM 0 HD2 PRO A 37 -15.101 -2.016 -1.598 1.00 0.15 H new ATOM 0 HD3 PRO A 37 -14.858 -0.491 -0.770 1.00 0.15 H new ATOM 424 N LEU A 38 -9.679 -0.795 -1.550 1.00 0.14 N ATOM 425 CA LEU A 38 -8.389 -1.193 -2.059 1.00 0.13 C ATOM 426 C LEU A 38 -7.367 -0.984 -0.941 1.00 0.13 C ATOM 427 O LEU A 38 -7.495 -0.070 -0.158 1.00 0.20 O ATOM 428 CB LEU A 38 -8.016 -0.378 -3.306 1.00 0.16 C ATOM 429 CG LEU A 38 -8.106 1.145 -3.198 1.00 0.20 C ATOM 430 CD1 LEU A 38 -7.422 1.783 -4.384 1.00 0.31 C ATOM 431 CD2 LEU A 38 -9.552 1.623 -3.141 1.00 0.26 C ATOM 0 H LEU A 38 -9.637 -0.006 -0.905 1.00 0.14 H new ATOM 0 HA LEU A 38 -8.408 -2.240 -2.361 1.00 0.13 H new ATOM 0 HB2 LEU A 38 -6.995 -0.637 -3.586 1.00 0.16 H new ATOM 0 HB3 LEU A 38 -8.662 -0.697 -4.124 1.00 0.16 H new ATOM 0 HG LEU A 38 -7.611 1.439 -2.272 1.00 0.20 H new ATOM 0 HD11 LEU A 38 -7.489 2.868 -4.302 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -6.374 1.485 -4.403 1.00 0.31 H new ATOM 0 HD13 LEU A 38 -7.909 1.458 -5.303 1.00 0.31 H new ATOM 0 HD21 LEU A 38 -9.573 2.710 -3.065 1.00 0.26 H new ATOM 0 HD22 LEU A 38 -10.074 1.313 -4.046 1.00 0.26 H new ATOM 0 HD23 LEU A 38 -10.045 1.189 -2.271 1.00 0.26 H new ATOM 443 N LEU A 39 -6.397 -1.849 -0.828 1.00 0.18 N ATOM 444 CA LEU A 39 -5.367 -1.708 0.176 1.00 0.19 C ATOM 445 C LEU A 39 -4.081 -1.308 -0.494 1.00 0.18 C ATOM 446 O LEU A 39 -3.523 -2.060 -1.289 1.00 0.21 O ATOM 447 CB LEU A 39 -5.136 -3.015 0.923 1.00 0.23 C ATOM 448 CG LEU A 39 -5.905 -3.230 2.236 1.00 0.35 C ATOM 449 CD1 LEU A 39 -5.241 -2.500 3.385 1.00 1.10 C ATOM 450 CD2 LEU A 39 -7.352 -2.796 2.110 1.00 1.19 C ATOM 0 H LEU A 39 -6.294 -2.670 -1.424 1.00 0.18 H new ATOM 0 HA LEU A 39 -5.690 -0.950 0.890 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -5.385 -3.835 0.250 1.00 0.23 H new ATOM 0 HB3 LEU A 39 -4.071 -3.094 1.141 1.00 0.23 H new ATOM 0 HG LEU A 39 -5.886 -4.299 2.447 1.00 0.35 H new ATOM 0 HD11 LEU A 39 -5.807 -2.671 4.300 1.00 1.10 H new ATOM 0 HD12 LEU A 39 -4.224 -2.871 3.513 1.00 1.10 H new ATOM 0 HD13 LEU A 39 -5.213 -1.432 3.170 1.00 1.10 H new ATOM 0 HD21 LEU A 39 -7.866 -2.962 3.057 1.00 1.19 H new ATOM 0 HD22 LEU A 39 -7.393 -1.737 1.856 1.00 1.19 H new ATOM 0 HD23 LEU A 39 -7.839 -3.376 1.326 1.00 1.19 H new ATOM 462 N ILE A 40 -3.628 -0.123 -0.209 1.00 0.19 N ATOM 463 CA ILE A 40 -2.371 0.333 -0.761 1.00 0.20 C ATOM 464 C ILE A 40 -1.246 0.100 0.238 1.00 0.18 C ATOM 465 O ILE A 40 -1.349 0.519 1.396 1.00 0.20 O ATOM 466 CB ILE A 40 -2.460 1.815 -1.125 1.00 0.23 C ATOM 467 CG1 ILE A 40 -3.892 2.159 -1.531 1.00 0.30 C ATOM 468 CG2 ILE A 40 -1.498 2.150 -2.251 1.00 0.37 C ATOM 469 CD1 ILE A 40 -4.000 3.528 -2.143 1.00 0.35 C ATOM 0 H ILE A 40 -4.101 0.547 0.398 1.00 0.19 H new ATOM 0 HA ILE A 40 -2.158 -0.235 -1.667 1.00 0.20 H new ATOM 0 HB ILE A 40 -2.182 2.408 -0.254 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -4.254 1.416 -2.242 1.00 0.30 H new ATOM 0 HG13 ILE A 40 -4.539 2.103 -0.655 1.00 0.30 H new ATOM 0 HG21 ILE A 40 -1.578 3.210 -2.494 1.00 0.37 H new ATOM 0 HG22 ILE A 40 -0.479 1.925 -1.938 1.00 0.37 H new ATOM 0 HG23 ILE A 40 -1.746 1.556 -3.131 1.00 0.37 H new ATOM 0 HD11 ILE A 40 -5.037 3.724 -2.414 1.00 0.35 H new ATOM 0 HD12 ILE A 40 -3.665 4.276 -1.424 1.00 0.35 H new ATOM 0 HD13 ILE A 40 -3.376 3.578 -3.035 1.00 0.35 H new ATOM 481 N TYR A 41 -0.187 -0.598 -0.179 1.00 0.18 N ATOM 482 CA TYR A 41 0.887 -0.919 0.737 1.00 0.19 C ATOM 483 C TYR A 41 2.114 -0.074 0.427 1.00 0.20 C ATOM 484 O TYR A 41 2.514 0.054 -0.727 1.00 0.27 O ATOM 485 CB TYR A 41 1.253 -2.418 0.676 1.00 0.20 C ATOM 486 CG TYR A 41 0.141 -3.389 1.049 1.00 0.20 C ATOM 487 CD1 TYR A 41 -1.188 -3.095 0.760 1.00 0.27 C ATOM 488 CD2 TYR A 41 0.407 -4.576 1.711 1.00 0.29 C ATOM 489 CE1 TYR A 41 -2.211 -3.953 1.129 1.00 0.32 C ATOM 490 CE2 TYR A 41 -0.606 -5.437 2.069 1.00 0.35 C ATOM 491 CZ TYR A 41 -1.872 -5.203 1.680 1.00 0.33 C ATOM 492 OH TYR A 41 -2.911 -5.970 2.174 1.00 0.42 O ATOM 0 H TYR A 41 -0.059 -0.943 -1.130 1.00 0.18 H new ATOM 0 HA TYR A 41 0.540 -0.696 1.746 1.00 0.19 H new ATOM 0 HB2 TYR A 41 1.587 -2.650 -0.335 1.00 0.20 H new ATOM 0 HB3 TYR A 41 2.100 -2.593 1.340 1.00 0.20 H new ATOM 0 HD1 TYR A 41 -1.427 -2.180 0.238 1.00 0.27 H new ATOM 0 HD2 TYR A 41 1.429 -4.831 1.951 1.00 0.29 H new ATOM 0 HE1 TYR A 41 -3.245 -3.669 0.997 1.00 0.32 H new ATOM 0 HE2 TYR A 41 -0.382 -6.308 2.667 1.00 0.35 H new ATOM 0 HH TYR A 41 -3.261 -6.545 1.461 1.00 0.42 H new ATOM 502 N ASN A 42 2.701 0.503 1.462 1.00 0.28 N ATOM 503 CA ASN A 42 3.952 1.241 1.329 1.00 0.34 C ATOM 504 C ASN A 42 5.042 0.240 1.607 1.00 0.37 C ATOM 505 O ASN A 42 5.447 0.043 2.750 1.00 0.54 O ATOM 506 CB ASN A 42 4.063 2.376 2.361 1.00 0.46 C ATOM 507 CG ASN A 42 2.851 3.293 2.464 1.00 1.50 C ATOM 508 OD1 ASN A 42 2.998 4.508 2.603 1.00 2.27 O ATOM 509 ND2 ASN A 42 1.651 2.731 2.477 1.00 2.35 N ATOM 0 H ASN A 42 2.330 0.476 2.412 1.00 0.28 H new ATOM 0 HA ASN A 42 4.016 1.693 0.339 1.00 0.34 H new ATOM 0 HB2 ASN A 42 4.247 1.935 3.341 1.00 0.46 H new ATOM 0 HB3 ASN A 42 4.935 2.982 2.115 1.00 0.46 H new ATOM 0 HD21 ASN A 42 0.819 3.307 2.604 1.00 2.35 H new ATOM 0 HD22 ASN A 42 1.559 1.722 2.359 1.00 2.35 H new ATOM 516 N VAL A 43 5.518 -0.381 0.566 1.00 0.36 N ATOM 517 CA VAL A 43 6.238 -1.616 0.720 1.00 0.38 C ATOM 518 C VAL A 43 7.722 -1.464 0.474 1.00 0.42 C ATOM 519 O VAL A 43 8.141 -0.869 -0.513 1.00 0.50 O ATOM 520 CB VAL A 43 5.652 -2.686 -0.219 1.00 0.39 C ATOM 521 CG1 VAL A 43 5.532 -2.162 -1.631 1.00 1.03 C ATOM 522 CG2 VAL A 43 6.500 -3.931 -0.214 1.00 0.98 C ATOM 0 H VAL A 43 5.422 -0.055 -0.396 1.00 0.36 H new ATOM 0 HA VAL A 43 6.120 -1.928 1.758 1.00 0.38 H new ATOM 0 HB VAL A 43 4.657 -2.934 0.151 1.00 0.39 H new ATOM 0 HG11 VAL A 43 5.115 -2.938 -2.273 1.00 1.03 H new ATOM 0 HG12 VAL A 43 4.876 -1.292 -1.642 1.00 1.03 H new ATOM 0 HG13 VAL A 43 6.518 -1.878 -1.999 1.00 1.03 H new ATOM 0 HG21 VAL A 43 6.064 -4.671 -0.885 1.00 0.98 H new ATOM 0 HG22 VAL A 43 7.508 -3.686 -0.549 1.00 0.98 H new ATOM 0 HG23 VAL A 43 6.543 -4.338 0.796 1.00 0.98 H new ATOM 532 N ALA A 44 8.510 -2.001 1.389 1.00 0.50 N ATOM 533 CA ALA A 44 9.933 -2.121 1.176 1.00 0.59 C ATOM 534 C ALA A 44 10.211 -3.346 0.319 1.00 0.58 C ATOM 535 O ALA A 44 10.142 -4.475 0.807 1.00 0.88 O ATOM 536 CB ALA A 44 10.668 -2.213 2.503 1.00 0.83 C ATOM 0 H ALA A 44 8.184 -2.360 2.286 1.00 0.50 H new ATOM 0 HA ALA A 44 10.295 -1.233 0.658 1.00 0.59 H new ATOM 0 HB1 ALA A 44 11.739 -2.303 2.320 1.00 0.83 H new ATOM 0 HB2 ALA A 44 10.474 -1.315 3.089 1.00 0.83 H new ATOM 0 HB3 ALA A 44 10.319 -3.087 3.052 1.00 0.83 H new ATOM 542 N SER A 45 10.446 -3.077 -0.966 1.00 0.57 N ATOM 543 CA SER A 45 10.830 -4.075 -1.978 1.00 0.63 C ATOM 544 C SER A 45 11.449 -5.326 -1.365 1.00 1.01 C ATOM 545 O SER A 45 12.620 -5.349 -0.995 1.00 1.78 O ATOM 546 CB SER A 45 11.775 -3.426 -2.998 1.00 0.73 C ATOM 547 OG SER A 45 12.723 -2.590 -2.361 1.00 1.62 O ATOM 0 H SER A 45 10.374 -2.134 -1.347 1.00 0.57 H new ATOM 0 HA SER A 45 9.924 -4.409 -2.484 1.00 0.63 H new ATOM 0 HB2 SER A 45 12.292 -4.202 -3.563 1.00 0.73 H new ATOM 0 HB3 SER A 45 11.196 -2.843 -3.714 1.00 0.73 H new ATOM 0 HG SER A 45 12.974 -1.861 -2.965 1.00 1.62 H new ATOM 553 N LYS A 46 10.623 -6.360 -1.265 1.00 1.32 N ATOM 554 CA LYS A 46 10.966 -7.577 -0.550 1.00 1.69 C ATOM 555 C LYS A 46 12.148 -8.308 -1.181 1.00 1.14 C ATOM 556 O LYS A 46 12.045 -8.856 -2.279 1.00 1.47 O ATOM 557 CB LYS A 46 9.734 -8.495 -0.487 1.00 2.68 C ATOM 558 CG LYS A 46 9.944 -9.791 0.293 1.00 3.45 C ATOM 559 CD LYS A 46 10.409 -10.935 -0.599 1.00 4.39 C ATOM 560 CE LYS A 46 10.648 -12.201 0.205 1.00 5.19 C ATOM 561 NZ LYS A 46 11.000 -13.355 -0.664 1.00 5.84 N ATOM 0 H LYS A 46 9.692 -6.375 -1.681 1.00 1.32 H new ATOM 0 HA LYS A 46 11.273 -7.299 0.458 1.00 1.69 H new ATOM 0 HB2 LYS A 46 8.910 -7.944 -0.034 1.00 2.68 H new ATOM 0 HB3 LYS A 46 9.431 -8.744 -1.504 1.00 2.68 H new ATOM 0 HG2 LYS A 46 10.681 -9.624 1.079 1.00 3.45 H new ATOM 0 HG3 LYS A 46 9.012 -10.072 0.784 1.00 3.45 H new ATOM 0 HD2 LYS A 46 9.661 -11.126 -1.368 1.00 4.39 H new ATOM 0 HD3 LYS A 46 11.327 -10.649 -1.112 1.00 4.39 H new ATOM 0 HE2 LYS A 46 11.451 -12.029 0.922 1.00 5.19 H new ATOM 0 HE3 LYS A 46 9.753 -12.440 0.780 1.00 5.19 H new ATOM 0 HZ1 LYS A 46 11.155 -14.198 -0.075 1.00 5.84 H new ATOM 0 HZ2 LYS A 46 10.223 -13.536 -1.332 1.00 5.84 H new ATOM 0 HZ3 LYS A 46 11.868 -13.138 -1.194 1.00 5.84 H new ATOM 575 N CYS A 47 13.272 -8.286 -0.484 1.00 1.21 N ATOM 576 CA CYS A 47 14.379 -9.170 -0.793 1.00 1.53 C ATOM 577 C CYS A 47 14.635 -10.050 0.425 1.00 1.99 C ATOM 578 O CYS A 47 15.005 -9.550 1.489 1.00 2.46 O ATOM 579 CB CYS A 47 15.630 -8.354 -1.139 1.00 2.04 C ATOM 580 SG CYS A 47 16.164 -7.232 0.176 1.00 3.55 S ATOM 0 H CYS A 47 13.440 -7.661 0.304 1.00 1.21 H new ATOM 0 HA CYS A 47 14.137 -9.790 -1.656 1.00 1.53 H new ATOM 0 HB2 CYS A 47 16.445 -9.039 -1.371 1.00 2.04 H new ATOM 0 HB3 CYS A 47 15.435 -7.774 -2.041 1.00 2.04 H new ATOM 0 HG CYS A 47 15.831 -7.727 1.331 1.00 3.55 H new ATOM 586 N GLY A 48 14.419 -11.350 0.277 1.00 2.39 N ATOM 587 CA GLY A 48 14.588 -12.267 1.393 1.00 2.91 C ATOM 588 C GLY A 48 13.511 -12.128 2.465 1.00 2.40 C ATOM 589 O GLY A 48 12.789 -13.082 2.758 1.00 2.46 O ATOM 0 H GLY A 48 14.129 -11.789 -0.597 1.00 2.39 H new ATOM 0 HA2 GLY A 48 14.584 -13.290 1.016 1.00 2.91 H new ATOM 0 HA3 GLY A 48 15.565 -12.098 1.847 1.00 2.91 H new ATOM 593 N TYR A 49 13.386 -10.935 3.027 1.00 2.15 N ATOM 594 CA TYR A 49 12.542 -10.708 4.189 1.00 1.79 C ATOM 595 C TYR A 49 11.131 -10.251 3.803 1.00 1.42 C ATOM 596 O TYR A 49 10.934 -9.147 3.299 1.00 1.67 O ATOM 597 CB TYR A 49 13.213 -9.669 5.094 1.00 2.10 C ATOM 598 CG TYR A 49 12.519 -9.435 6.418 1.00 2.40 C ATOM 599 CD1 TYR A 49 12.279 -10.487 7.291 1.00 2.66 C ATOM 600 CD2 TYR A 49 12.081 -8.166 6.781 1.00 3.01 C ATOM 601 CE1 TYR A 49 11.625 -10.285 8.491 1.00 3.26 C ATOM 602 CE2 TYR A 49 11.424 -7.955 7.979 1.00 3.74 C ATOM 603 CZ TYR A 49 11.291 -8.991 8.875 1.00 3.76 C ATOM 604 OH TYR A 49 10.544 -8.815 10.027 1.00 4.63 O ATOM 0 H TYR A 49 13.865 -10.100 2.691 1.00 2.15 H new ATOM 0 HA TYR A 49 12.429 -11.653 4.720 1.00 1.79 H new ATOM 0 HB2 TYR A 49 14.238 -9.985 5.288 1.00 2.10 H new ATOM 0 HB3 TYR A 49 13.268 -8.722 4.557 1.00 2.10 H new ATOM 0 HD1 TYR A 49 12.609 -11.481 7.028 1.00 2.66 H new ATOM 0 HD2 TYR A 49 12.257 -7.333 6.117 1.00 3.01 H new ATOM 0 HE1 TYR A 49 11.376 -11.124 9.124 1.00 3.26 H new ATOM 0 HE2 TYR A 49 11.017 -6.982 8.211 1.00 3.74 H new ATOM 0 HH TYR A 49 10.975 -8.145 10.597 1.00 4.63 H new ATOM 614 N THR A 50 10.162 -11.127 4.038 1.00 1.05 N ATOM 615 CA THR A 50 8.744 -10.789 3.941 1.00 0.81 C ATOM 616 C THR A 50 8.127 -10.923 5.336 1.00 0.77 C ATOM 617 O THR A 50 8.373 -11.915 6.022 1.00 1.44 O ATOM 618 CB THR A 50 7.996 -11.716 2.951 1.00 1.09 C ATOM 619 OG1 THR A 50 6.583 -11.481 3.027 1.00 1.93 O ATOM 620 CG2 THR A 50 8.286 -13.187 3.228 1.00 1.87 C ATOM 0 H THR A 50 10.336 -12.097 4.302 1.00 1.05 H new ATOM 0 HA THR A 50 8.650 -9.770 3.565 1.00 0.81 H new ATOM 0 HB THR A 50 8.354 -11.484 1.948 1.00 1.09 H new ATOM 0 HG1 THR A 50 6.103 -12.252 2.660 1.00 1.93 H new ATOM 0 HG21 THR A 50 7.743 -13.806 2.513 1.00 1.87 H new ATOM 0 HG22 THR A 50 9.356 -13.372 3.129 1.00 1.87 H new ATOM 0 HG23 THR A 50 7.966 -13.437 4.240 1.00 1.87 H new ATOM 628 N LYS A 51 7.350 -9.937 5.779 1.00 0.61 N ATOM 629 CA LYS A 51 6.773 -9.992 7.113 1.00 0.56 C ATOM 630 C LYS A 51 5.408 -10.674 7.090 1.00 0.76 C ATOM 631 O LYS A 51 4.664 -10.626 8.067 1.00 1.55 O ATOM 632 CB LYS A 51 6.674 -8.579 7.701 1.00 0.59 C ATOM 633 CG LYS A 51 8.030 -7.938 7.954 1.00 1.22 C ATOM 634 CD LYS A 51 7.904 -6.642 8.736 1.00 1.39 C ATOM 635 CE LYS A 51 7.277 -6.867 10.105 1.00 1.46 C ATOM 636 NZ LYS A 51 8.108 -7.745 10.974 1.00 2.01 N ATOM 0 H LYS A 51 7.110 -9.104 5.241 1.00 0.61 H new ATOM 0 HA LYS A 51 7.426 -10.587 7.751 1.00 0.56 H new ATOM 0 HB2 LYS A 51 6.103 -7.948 7.020 1.00 0.59 H new ATOM 0 HB3 LYS A 51 6.119 -8.621 8.638 1.00 0.59 H new ATOM 0 HG2 LYS A 51 8.664 -8.634 8.503 1.00 1.22 H new ATOM 0 HG3 LYS A 51 8.523 -7.742 7.002 1.00 1.22 H new ATOM 0 HD2 LYS A 51 8.890 -6.193 8.857 1.00 1.39 H new ATOM 0 HD3 LYS A 51 7.298 -5.934 8.171 1.00 1.39 H new ATOM 0 HE2 LYS A 51 7.132 -5.905 10.598 1.00 1.46 H new ATOM 0 HE3 LYS A 51 6.290 -7.313 9.981 1.00 1.46 H new ATOM 0 HZ1 LYS A 51 7.581 -8.614 11.195 1.00 2.01 H new ATOM 0 HZ2 LYS A 51 8.989 -7.991 10.478 1.00 2.01 H new ATOM 0 HZ3 LYS A 51 8.336 -7.245 11.857 1.00 2.01 H new ATOM 650 N GLY A 52 5.094 -11.327 5.974 1.00 0.45 N ATOM 651 CA GLY A 52 3.808 -11.969 5.833 1.00 0.51 C ATOM 652 C GLY A 52 2.897 -11.183 4.921 1.00 0.41 C ATOM 653 O GLY A 52 2.046 -11.751 4.241 1.00 0.41 O ATOM 0 H GLY A 52 5.711 -11.420 5.167 1.00 0.45 H new ATOM 0 HA2 GLY A 52 3.943 -12.975 5.436 1.00 0.51 H new ATOM 0 HA3 GLY A 52 3.342 -12.073 6.813 1.00 0.51 H new ATOM 657 N GLY A 53 3.100 -9.870 4.893 1.00 0.44 N ATOM 658 CA GLY A 53 2.289 -8.992 4.069 1.00 0.50 C ATOM 659 C GLY A 53 2.299 -9.368 2.602 1.00 0.36 C ATOM 660 O GLY A 53 1.365 -9.041 1.885 1.00 0.32 O ATOM 0 H GLY A 53 3.822 -9.393 5.434 1.00 0.44 H new ATOM 0 HA2 GLY A 53 1.262 -9.009 4.434 1.00 0.50 H new ATOM 0 HA3 GLY A 53 2.649 -7.969 4.177 1.00 0.50 H new ATOM 664 N TYR A 54 3.349 -10.044 2.149 1.00 0.37 N ATOM 665 CA TYR A 54 3.435 -10.463 0.756 1.00 0.36 C ATOM 666 C TYR A 54 2.287 -11.398 0.415 1.00 0.26 C ATOM 667 O TYR A 54 1.459 -11.095 -0.443 1.00 0.25 O ATOM 668 CB TYR A 54 4.757 -11.174 0.506 1.00 0.45 C ATOM 669 CG TYR A 54 5.255 -11.095 -0.918 1.00 0.41 C ATOM 670 CD1 TYR A 54 4.348 -10.949 -1.947 1.00 0.45 C ATOM 671 CD2 TYR A 54 6.613 -11.168 -1.237 1.00 0.53 C ATOM 672 CE1 TYR A 54 4.756 -10.874 -3.253 1.00 0.46 C ATOM 673 CE2 TYR A 54 7.043 -11.091 -2.553 1.00 0.65 C ATOM 674 CZ TYR A 54 6.235 -10.959 -3.516 1.00 0.56 C ATOM 675 OH TYR A 54 6.511 -10.859 -4.874 1.00 0.70 O ATOM 0 H TYR A 54 4.148 -10.312 2.723 1.00 0.37 H new ATOM 0 HA TYR A 54 3.375 -9.577 0.124 1.00 0.36 H new ATOM 0 HB2 TYR A 54 5.513 -10.749 1.166 1.00 0.45 H new ATOM 0 HB3 TYR A 54 4.648 -12.223 0.781 1.00 0.45 H new ATOM 0 HD1 TYR A 54 3.294 -10.893 -1.718 1.00 0.45 H new ATOM 0 HD2 TYR A 54 7.339 -11.286 -0.446 1.00 0.53 H new ATOM 0 HE1 TYR A 54 4.046 -10.759 -4.059 1.00 0.46 H new ATOM 0 HE2 TYR A 54 8.101 -11.146 -2.762 1.00 0.65 H new ATOM 0 HH TYR A 54 6.341 -9.942 -5.176 1.00 0.70 H new ATOM 685 N GLU A 55 2.238 -12.526 1.113 1.00 0.25 N ATOM 686 CA GLU A 55 1.204 -13.530 0.896 1.00 0.27 C ATOM 687 C GLU A 55 -0.170 -12.957 1.229 1.00 0.22 C ATOM 688 O GLU A 55 -1.198 -13.437 0.749 1.00 0.25 O ATOM 689 CB GLU A 55 1.500 -14.761 1.752 1.00 0.36 C ATOM 690 CG GLU A 55 1.321 -14.526 3.240 1.00 1.14 C ATOM 691 CD GLU A 55 1.841 -15.672 4.074 1.00 1.92 C ATOM 692 OE1 GLU A 55 3.049 -15.675 4.397 1.00 2.61 O ATOM 693 OE2 GLU A 55 1.041 -16.568 4.417 1.00 2.39 O ATOM 0 H GLU A 55 2.910 -12.770 1.841 1.00 0.25 H new ATOM 0 HA GLU A 55 1.201 -13.823 -0.154 1.00 0.27 H new ATOM 0 HB2 GLU A 55 0.846 -15.575 1.440 1.00 0.36 H new ATOM 0 HB3 GLU A 55 2.524 -15.085 1.565 1.00 0.36 H new ATOM 0 HG2 GLU A 55 1.839 -13.610 3.525 1.00 1.14 H new ATOM 0 HG3 GLU A 55 0.263 -14.375 3.456 1.00 1.14 H new ATOM 700 N THR A 56 -0.159 -11.904 2.029 1.00 0.25 N ATOM 701 CA THR A 56 -1.365 -11.214 2.429 1.00 0.24 C ATOM 702 C THR A 56 -1.905 -10.417 1.262 1.00 0.21 C ATOM 703 O THR A 56 -3.003 -10.669 0.769 1.00 0.22 O ATOM 704 CB THR A 56 -1.059 -10.271 3.610 1.00 0.26 C ATOM 705 OG1 THR A 56 -0.675 -11.034 4.759 1.00 0.33 O ATOM 706 CG2 THR A 56 -2.246 -9.394 3.946 1.00 0.25 C ATOM 0 H THR A 56 0.694 -11.505 2.419 1.00 0.25 H new ATOM 0 HA THR A 56 -2.111 -11.945 2.741 1.00 0.24 H new ATOM 0 HB THR A 56 -0.237 -9.621 3.312 1.00 0.26 H new ATOM 0 HG1 THR A 56 0.256 -11.325 4.662 1.00 0.33 H new ATOM 0 HG21 THR A 56 -1.992 -8.743 4.783 1.00 0.25 H new ATOM 0 HG22 THR A 56 -2.506 -8.786 3.080 1.00 0.25 H new ATOM 0 HG23 THR A 56 -3.096 -10.020 4.218 1.00 0.25 H new ATOM 714 N ALA A 57 -1.082 -9.506 0.796 1.00 0.19 N ATOM 715 CA ALA A 57 -1.421 -8.623 -0.291 1.00 0.20 C ATOM 716 C ALA A 57 -1.723 -9.410 -1.553 1.00 0.19 C ATOM 717 O ALA A 57 -2.682 -9.112 -2.268 1.00 0.22 O ATOM 718 CB ALA A 57 -0.268 -7.677 -0.523 1.00 0.22 C ATOM 0 H ALA A 57 -0.144 -9.357 1.169 1.00 0.19 H new ATOM 0 HA ALA A 57 -2.317 -8.058 -0.033 1.00 0.20 H new ATOM 0 HB1 ALA A 57 -0.511 -7.002 -1.344 1.00 0.22 H new ATOM 0 HB2 ALA A 57 -0.085 -7.097 0.382 1.00 0.22 H new ATOM 0 HB3 ALA A 57 0.626 -8.248 -0.775 1.00 0.22 H new ATOM 724 N THR A 58 -0.908 -10.426 -1.802 1.00 0.17 N ATOM 725 CA THR A 58 -1.061 -11.260 -2.978 1.00 0.17 C ATOM 726 C THR A 58 -2.461 -11.881 -3.016 1.00 0.17 C ATOM 727 O THR A 58 -3.231 -11.676 -3.961 1.00 0.19 O ATOM 728 CB THR A 58 -0.015 -12.392 -2.993 1.00 0.20 C ATOM 729 OG1 THR A 58 1.308 -11.846 -2.936 1.00 0.24 O ATOM 730 CG2 THR A 58 -0.150 -13.252 -4.239 1.00 0.26 C ATOM 0 H THR A 58 -0.130 -10.691 -1.198 1.00 0.17 H new ATOM 0 HA THR A 58 -0.915 -10.625 -3.852 1.00 0.17 H new ATOM 0 HB THR A 58 -0.193 -13.017 -2.118 1.00 0.20 H new ATOM 0 HG1 THR A 58 1.591 -11.772 -2.001 1.00 0.24 H new ATOM 0 HG21 THR A 58 0.602 -14.041 -4.220 1.00 0.26 H new ATOM 0 HG22 THR A 58 -1.144 -13.698 -4.267 1.00 0.26 H new ATOM 0 HG23 THR A 58 -0.005 -12.634 -5.125 1.00 0.26 H new ATOM 738 N THR A 59 -2.792 -12.608 -1.956 1.00 0.16 N ATOM 739 CA THR A 59 -4.038 -13.355 -1.882 1.00 0.17 C ATOM 740 C THR A 59 -5.245 -12.428 -1.743 1.00 0.16 C ATOM 741 O THR A 59 -6.317 -12.715 -2.270 1.00 0.19 O ATOM 742 CB THR A 59 -3.995 -14.339 -0.699 1.00 0.20 C ATOM 743 OG1 THR A 59 -2.784 -15.102 -0.763 1.00 0.48 O ATOM 744 CG2 THR A 59 -5.191 -15.280 -0.713 1.00 0.46 C ATOM 0 H THR A 59 -2.205 -12.695 -1.126 1.00 0.16 H new ATOM 0 HA THR A 59 -4.147 -13.909 -2.814 1.00 0.17 H new ATOM 0 HB THR A 59 -4.030 -13.764 0.226 1.00 0.20 H new ATOM 0 HG1 THR A 59 -2.084 -14.649 -0.247 1.00 0.48 H new ATOM 0 HG21 THR A 59 -5.128 -15.961 0.136 1.00 0.46 H new ATOM 0 HG22 THR A 59 -6.111 -14.700 -0.646 1.00 0.46 H new ATOM 0 HG23 THR A 59 -5.191 -15.854 -1.639 1.00 0.46 H new ATOM 752 N LEU A 60 -5.059 -11.306 -1.060 1.00 0.13 N ATOM 753 CA LEU A 60 -6.137 -10.365 -0.833 1.00 0.13 C ATOM 754 C LEU A 60 -6.593 -9.770 -2.135 1.00 0.13 C ATOM 755 O LEU A 60 -7.785 -9.718 -2.434 1.00 0.15 O ATOM 756 CB LEU A 60 -5.665 -9.269 0.095 1.00 0.13 C ATOM 757 CG LEU A 60 -5.764 -9.626 1.559 1.00 0.14 C ATOM 758 CD1 LEU A 60 -5.128 -8.552 2.413 1.00 0.43 C ATOM 759 CD2 LEU A 60 -7.219 -9.814 1.939 1.00 0.35 C ATOM 0 H LEU A 60 -4.166 -11.029 -0.654 1.00 0.13 H new ATOM 0 HA LEU A 60 -6.976 -10.891 -0.377 1.00 0.13 H new ATOM 0 HB2 LEU A 60 -4.629 -9.027 -0.141 1.00 0.13 H new ATOM 0 HB3 LEU A 60 -6.253 -8.370 -0.091 1.00 0.13 H new ATOM 0 HG LEU A 60 -5.227 -10.558 1.734 1.00 0.14 H new ATOM 0 HD11 LEU A 60 -5.209 -8.827 3.464 1.00 0.43 H new ATOM 0 HD12 LEU A 60 -4.076 -8.449 2.145 1.00 0.43 H new ATOM 0 HD13 LEU A 60 -5.639 -7.604 2.246 1.00 0.43 H new ATOM 0 HD21 LEU A 60 -7.289 -10.072 2.996 1.00 0.35 H new ATOM 0 HD22 LEU A 60 -7.766 -8.889 1.754 1.00 0.35 H new ATOM 0 HD23 LEU A 60 -7.651 -10.616 1.341 1.00 0.35 H new ATOM 771 N TYR A 61 -5.624 -9.339 -2.913 1.00 0.14 N ATOM 772 CA TYR A 61 -5.891 -8.742 -4.194 1.00 0.15 C ATOM 773 C TYR A 61 -6.629 -9.712 -5.106 1.00 0.17 C ATOM 774 O TYR A 61 -7.645 -9.381 -5.663 1.00 0.22 O ATOM 775 CB TYR A 61 -4.598 -8.323 -4.856 1.00 0.17 C ATOM 776 CG TYR A 61 -4.851 -7.654 -6.172 1.00 0.18 C ATOM 777 CD1 TYR A 61 -5.936 -6.831 -6.358 1.00 0.16 C ATOM 778 CD2 TYR A 61 -3.992 -7.860 -7.230 1.00 0.28 C ATOM 779 CE1 TYR A 61 -6.174 -6.228 -7.575 1.00 0.18 C ATOM 780 CE2 TYR A 61 -4.214 -7.264 -8.451 1.00 0.31 C ATOM 781 CZ TYR A 61 -5.327 -6.383 -8.587 1.00 0.23 C ATOM 782 OH TYR A 61 -5.544 -5.856 -9.843 1.00 0.28 O ATOM 0 H TYR A 61 -4.634 -9.394 -2.673 1.00 0.14 H new ATOM 0 HA TYR A 61 -6.519 -7.867 -4.029 1.00 0.15 H new ATOM 0 HB2 TYR A 61 -4.054 -7.644 -4.199 1.00 0.17 H new ATOM 0 HB3 TYR A 61 -3.964 -9.197 -5.006 1.00 0.17 H new ATOM 0 HD1 TYR A 61 -6.614 -6.653 -5.536 1.00 0.16 H new ATOM 0 HD2 TYR A 61 -3.131 -8.499 -7.099 1.00 0.28 H new ATOM 0 HE1 TYR A 61 -7.059 -5.623 -7.707 1.00 0.18 H new ATOM 0 HE2 TYR A 61 -3.559 -7.459 -9.288 1.00 0.31 H new ATOM 0 HH TYR A 61 -4.795 -6.091 -10.430 1.00 0.28 H new ATOM 792 N ASN A 62 -6.124 -10.916 -5.217 1.00 0.18 N ATOM 793 CA ASN A 62 -6.647 -11.890 -6.160 1.00 0.22 C ATOM 794 C ASN A 62 -7.994 -12.411 -5.699 1.00 0.20 C ATOM 795 O ASN A 62 -8.800 -12.864 -6.507 1.00 0.24 O ATOM 796 CB ASN A 62 -5.658 -13.044 -6.365 1.00 0.27 C ATOM 797 CG ASN A 62 -4.476 -12.652 -7.236 1.00 0.75 C ATOM 798 OD1 ASN A 62 -4.509 -12.801 -8.458 1.00 1.21 O ATOM 799 ND2 ASN A 62 -3.426 -12.132 -6.622 1.00 1.12 N ATOM 0 H ASN A 62 -5.340 -11.254 -4.660 1.00 0.18 H new ATOM 0 HA ASN A 62 -6.783 -11.391 -7.120 1.00 0.22 H new ATOM 0 HB2 ASN A 62 -5.294 -13.382 -5.395 1.00 0.27 H new ATOM 0 HB3 ASN A 62 -6.178 -13.886 -6.822 1.00 0.27 H new ATOM 0 HD21 ASN A 62 -2.612 -11.841 -7.163 1.00 1.12 H new ATOM 0 HD22 ASN A 62 -3.431 -12.022 -5.608 1.00 1.12 H new ATOM 806 N LYS A 63 -8.252 -12.342 -4.396 1.00 0.18 N ATOM 807 CA LYS A 63 -9.499 -12.844 -3.876 1.00 0.20 C ATOM 808 C LYS A 63 -10.556 -11.764 -3.978 1.00 0.18 C ATOM 809 O LYS A 63 -11.749 -12.056 -4.064 1.00 0.22 O ATOM 810 CB LYS A 63 -9.327 -13.310 -2.424 1.00 0.26 C ATOM 811 CG LYS A 63 -10.600 -13.848 -1.782 1.00 0.29 C ATOM 812 CD LYS A 63 -10.303 -14.724 -0.570 1.00 0.64 C ATOM 813 CE LYS A 63 -9.603 -13.952 0.540 1.00 0.91 C ATOM 814 NZ LYS A 63 -9.458 -14.764 1.777 1.00 1.54 N ATOM 0 H LYS A 63 -7.620 -11.949 -3.699 1.00 0.18 H new ATOM 0 HA LYS A 63 -9.816 -13.705 -4.465 1.00 0.20 H new ATOM 0 HB2 LYS A 63 -8.562 -14.086 -2.392 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -8.959 -12.475 -1.828 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.234 -13.014 -1.480 1.00 0.29 H new ATOM 0 HG3 LYS A 63 -11.161 -14.425 -2.517 1.00 0.29 H new ATOM 0 HD2 LYS A 63 -11.235 -15.141 -0.188 1.00 0.64 H new ATOM 0 HD3 LYS A 63 -9.679 -15.564 -0.875 1.00 0.64 H new ATOM 0 HE2 LYS A 63 -8.618 -13.636 0.196 1.00 0.91 H new ATOM 0 HE3 LYS A 63 -10.168 -13.047 0.764 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 -8.947 -14.213 2.496 1.00 1.54 H new ATOM 0 HZ2 LYS A 63 -10.400 -15.016 2.139 1.00 1.54 H new ATOM 0 HZ3 LYS A 63 -8.926 -15.631 1.562 1.00 1.54 H new ATOM 828 N TYR A 64 -10.123 -10.507 -3.995 1.00 0.16 N ATOM 829 CA TYR A 64 -11.068 -9.428 -3.862 1.00 0.16 C ATOM 830 C TYR A 64 -11.050 -8.402 -4.981 1.00 0.17 C ATOM 831 O TYR A 64 -11.935 -7.544 -5.037 1.00 0.17 O ATOM 832 CB TYR A 64 -10.907 -8.801 -2.497 1.00 0.15 C ATOM 833 CG TYR A 64 -11.396 -9.730 -1.422 1.00 0.17 C ATOM 834 CD1 TYR A 64 -12.679 -10.243 -1.496 1.00 0.19 C ATOM 835 CD2 TYR A 64 -10.594 -10.104 -0.357 1.00 0.19 C ATOM 836 CE1 TYR A 64 -13.159 -11.103 -0.543 1.00 0.23 C ATOM 837 CE2 TYR A 64 -11.068 -10.967 0.610 1.00 0.23 C ATOM 838 CZ TYR A 64 -12.353 -11.464 0.514 1.00 0.24 C ATOM 839 OH TYR A 64 -12.823 -12.335 1.467 1.00 0.31 O ATOM 0 H TYR A 64 -9.148 -10.225 -4.097 1.00 0.16 H new ATOM 0 HA TYR A 64 -12.061 -9.866 -3.957 1.00 0.16 H new ATOM 0 HB2 TYR A 64 -9.858 -8.558 -2.325 1.00 0.15 H new ATOM 0 HB3 TYR A 64 -11.462 -7.864 -2.454 1.00 0.15 H new ATOM 0 HD1 TYR A 64 -13.315 -9.960 -2.322 1.00 0.19 H new ATOM 0 HD2 TYR A 64 -9.589 -9.717 -0.282 1.00 0.19 H new ATOM 0 HE1 TYR A 64 -14.162 -11.495 -0.620 1.00 0.23 H new ATOM 0 HE2 TYR A 64 -10.437 -11.253 1.438 1.00 0.23 H new ATOM 0 HH TYR A 64 -12.088 -12.599 2.059 1.00 0.31 H new ATOM 849 N LYS A 65 -10.102 -8.495 -5.897 1.00 0.20 N ATOM 850 CA LYS A 65 -10.161 -7.665 -7.092 1.00 0.23 C ATOM 851 C LYS A 65 -11.368 -8.073 -7.880 1.00 0.20 C ATOM 852 O LYS A 65 -11.962 -7.271 -8.596 1.00 0.22 O ATOM 853 CB LYS A 65 -8.912 -7.771 -7.967 1.00 0.34 C ATOM 854 CG LYS A 65 -8.544 -9.177 -8.403 1.00 0.29 C ATOM 855 CD LYS A 65 -7.547 -9.133 -9.543 1.00 0.38 C ATOM 856 CE LYS A 65 -8.188 -9.591 -10.840 1.00 0.80 C ATOM 857 NZ LYS A 65 -7.402 -9.178 -12.033 1.00 1.35 N ATOM 0 H LYS A 65 -9.299 -9.121 -5.842 1.00 0.20 H new ATOM 0 HA LYS A 65 -10.220 -6.624 -6.775 1.00 0.23 H new ATOM 0 HB2 LYS A 65 -9.059 -7.159 -8.857 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -8.069 -7.345 -7.422 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -8.120 -9.726 -7.562 1.00 0.29 H new ATOM 0 HG3 LYS A 65 -9.440 -9.714 -8.715 1.00 0.29 H new ATOM 0 HD2 LYS A 65 -7.166 -8.118 -9.659 1.00 0.38 H new ATOM 0 HD3 LYS A 65 -6.693 -9.769 -9.310 1.00 0.38 H new ATOM 0 HE2 LYS A 65 -8.287 -10.676 -10.831 1.00 0.80 H new ATOM 0 HE3 LYS A 65 -9.195 -9.180 -10.910 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 -7.878 -9.513 -12.895 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 -7.329 -8.141 -12.058 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 -6.449 -9.591 -11.981 1.00 1.35 H new ATOM 871 N SER A 66 -11.737 -9.332 -7.689 1.00 0.23 N ATOM 872 CA SER A 66 -12.964 -9.873 -8.252 1.00 0.26 C ATOM 873 C SER A 66 -14.145 -8.923 -7.985 1.00 0.25 C ATOM 874 O SER A 66 -15.053 -8.800 -8.808 1.00 0.31 O ATOM 875 CB SER A 66 -13.237 -11.253 -7.649 1.00 0.32 C ATOM 876 OG SER A 66 -14.281 -11.920 -8.333 1.00 1.28 O ATOM 0 H SER A 66 -11.197 -10.003 -7.142 1.00 0.23 H new ATOM 0 HA SER A 66 -12.849 -9.972 -9.331 1.00 0.26 H new ATOM 0 HB2 SER A 66 -12.330 -11.856 -7.691 1.00 0.32 H new ATOM 0 HB3 SER A 66 -13.500 -11.146 -6.597 1.00 0.32 H new ATOM 0 HG SER A 66 -14.430 -12.799 -7.925 1.00 1.28 H new ATOM 882 N GLN A 67 -14.125 -8.247 -6.835 1.00 0.21 N ATOM 883 CA GLN A 67 -15.128 -7.229 -6.540 1.00 0.20 C ATOM 884 C GLN A 67 -14.670 -5.841 -7.019 1.00 0.20 C ATOM 885 O GLN A 67 -15.463 -5.069 -7.555 1.00 0.27 O ATOM 886 CB GLN A 67 -15.415 -7.205 -5.043 1.00 0.21 C ATOM 887 CG GLN A 67 -15.649 -8.589 -4.470 1.00 0.38 C ATOM 888 CD GLN A 67 -16.121 -8.562 -3.038 1.00 0.52 C ATOM 889 OE1 GLN A 67 -16.839 -7.655 -2.621 1.00 1.11 O ATOM 890 NE2 GLN A 67 -15.692 -9.545 -2.271 1.00 0.46 N ATOM 0 H GLN A 67 -13.431 -8.386 -6.100 1.00 0.21 H new ATOM 0 HA GLN A 67 -16.042 -7.482 -7.077 1.00 0.20 H new ATOM 0 HB2 GLN A 67 -14.578 -6.738 -4.524 1.00 0.21 H new ATOM 0 HB3 GLN A 67 -16.292 -6.585 -4.855 1.00 0.21 H new ATOM 0 HG2 GLN A 67 -16.387 -9.109 -5.080 1.00 0.38 H new ATOM 0 HG3 GLN A 67 -14.724 -9.163 -4.531 1.00 0.38 H new ATOM 0 HE21 GLN A 67 -15.098 -10.275 -2.663 1.00 0.46 H new ATOM 0 HE22 GLN A 67 -15.954 -9.575 -1.286 1.00 0.46 H new ATOM 899 N GLY A 68 -13.384 -5.548 -6.837 1.00 0.17 N ATOM 900 CA GLY A 68 -12.828 -4.253 -7.185 1.00 0.18 C ATOM 901 C GLY A 68 -11.631 -3.915 -6.311 1.00 0.15 C ATOM 902 O GLY A 68 -10.975 -2.887 -6.500 1.00 0.17 O ATOM 0 H GLY A 68 -12.705 -6.201 -6.446 1.00 0.17 H new ATOM 0 HA2 GLY A 68 -12.528 -4.253 -8.233 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -13.592 -3.484 -7.072 1.00 0.18 H new ATOM 906 N PHE A 69 -11.352 -4.800 -5.357 1.00 0.14 N ATOM 907 CA PHE A 69 -10.272 -4.615 -4.390 1.00 0.13 C ATOM 908 C PHE A 69 -8.908 -4.748 -5.045 1.00 0.14 C ATOM 909 O PHE A 69 -8.714 -5.590 -5.903 1.00 0.18 O ATOM 910 CB PHE A 69 -10.391 -5.658 -3.274 1.00 0.14 C ATOM 911 CG PHE A 69 -9.331 -5.528 -2.235 1.00 0.12 C ATOM 912 CD1 PHE A 69 -9.000 -4.307 -1.665 1.00 0.14 C ATOM 913 CD2 PHE A 69 -8.680 -6.647 -1.816 1.00 0.14 C ATOM 914 CE1 PHE A 69 -8.020 -4.233 -0.695 1.00 0.16 C ATOM 915 CE2 PHE A 69 -7.724 -6.590 -0.863 1.00 0.16 C ATOM 916 CZ PHE A 69 -7.359 -5.190 -0.337 1.00 0.14 C ATOM 0 H PHE A 69 -11.871 -5.669 -5.232 1.00 0.14 H new ATOM 0 HA PHE A 69 -10.363 -3.609 -3.980 1.00 0.13 H new ATOM 0 HB2 PHE A 69 -11.368 -5.565 -2.801 1.00 0.14 H new ATOM 0 HB3 PHE A 69 -10.342 -6.655 -3.711 1.00 0.14 H new ATOM 0 HD1 PHE A 69 -9.511 -3.410 -1.982 1.00 0.14 H new ATOM 0 HD2 PHE A 69 -8.933 -7.601 -2.255 1.00 0.14 H new ATOM 0 HE1 PHE A 69 -7.830 -3.277 -0.230 1.00 0.16 H new ATOM 0 HE2 PHE A 69 -7.241 -7.481 -0.489 1.00 0.16 H new ATOM 0 HZ PHE A 69 -6.528 -5.059 0.340 1.00 0.14 H new ATOM 926 N THR A 70 -7.963 -3.916 -4.649 1.00 0.13 N ATOM 927 CA THR A 70 -6.625 -4.045 -5.123 1.00 0.12 C ATOM 928 C THR A 70 -5.693 -3.918 -3.970 1.00 0.12 C ATOM 929 O THR A 70 -5.969 -3.207 -3.025 1.00 0.19 O ATOM 930 CB THR A 70 -6.302 -2.961 -6.150 1.00 0.15 C ATOM 931 OG1 THR A 70 -5.218 -3.358 -6.979 1.00 0.20 O ATOM 932 CG2 THR A 70 -5.966 -1.644 -5.487 1.00 0.19 C ATOM 0 H THR A 70 -8.112 -3.145 -3.998 1.00 0.13 H new ATOM 0 HA THR A 70 -6.514 -5.018 -5.601 1.00 0.12 H new ATOM 0 HB THR A 70 -7.196 -2.825 -6.759 1.00 0.15 H new ATOM 0 HG1 THR A 70 -5.321 -4.302 -7.222 1.00 0.20 H new ATOM 0 HG21 THR A 70 -5.742 -0.899 -6.250 1.00 0.19 H new ATOM 0 HG22 THR A 70 -6.815 -1.309 -4.891 1.00 0.19 H new ATOM 0 HG23 THR A 70 -5.098 -1.773 -4.841 1.00 0.19 H new ATOM 940 N VAL A 71 -4.625 -4.630 -4.016 1.00 0.13 N ATOM 941 CA VAL A 71 -3.518 -4.278 -3.210 1.00 0.13 C ATOM 942 C VAL A 71 -2.474 -3.652 -4.088 1.00 0.13 C ATOM 943 O VAL A 71 -1.748 -4.341 -4.791 1.00 0.15 O ATOM 944 CB VAL A 71 -2.938 -5.485 -2.481 1.00 0.15 C ATOM 945 CG1 VAL A 71 -1.586 -5.132 -1.884 1.00 0.16 C ATOM 946 CG2 VAL A 71 -3.894 -5.961 -1.402 1.00 0.17 C ATOM 0 H VAL A 71 -4.496 -5.456 -4.601 1.00 0.13 H new ATOM 0 HA VAL A 71 -3.849 -3.574 -2.446 1.00 0.13 H new ATOM 0 HB VAL A 71 -2.800 -6.297 -3.196 1.00 0.15 H new ATOM 0 HG11 VAL A 71 -1.179 -6.000 -1.365 1.00 0.16 H new ATOM 0 HG12 VAL A 71 -0.904 -4.832 -2.680 1.00 0.16 H new ATOM 0 HG13 VAL A 71 -1.703 -4.310 -1.178 1.00 0.16 H new ATOM 0 HG21 VAL A 71 -3.466 -6.823 -0.891 1.00 0.17 H new ATOM 0 HG22 VAL A 71 -4.060 -5.159 -0.683 1.00 0.17 H new ATOM 0 HG23 VAL A 71 -4.844 -6.244 -1.856 1.00 0.17 H new ATOM 956 N LEU A 72 -2.415 -2.342 -4.080 1.00 0.17 N ATOM 957 CA LEU A 72 -1.352 -1.687 -4.810 1.00 0.22 C ATOM 958 C LEU A 72 -0.249 -1.377 -3.845 1.00 0.19 C ATOM 959 O LEU A 72 -0.452 -0.670 -2.870 1.00 0.28 O ATOM 960 CB LEU A 72 -1.741 -0.387 -5.542 1.00 0.43 C ATOM 961 CG LEU A 72 -3.209 -0.004 -5.622 1.00 0.34 C ATOM 962 CD1 LEU A 72 -3.754 0.382 -4.261 1.00 1.04 C ATOM 963 CD2 LEU A 72 -3.395 1.134 -6.604 1.00 1.00 C ATOM 0 H LEU A 72 -3.065 -1.724 -3.595 1.00 0.17 H new ATOM 0 HA LEU A 72 -1.059 -2.383 -5.596 1.00 0.22 H new ATOM 0 HB2 LEU A 72 -1.211 0.435 -5.060 1.00 0.43 H new ATOM 0 HB3 LEU A 72 -1.362 -0.456 -6.562 1.00 0.43 H new ATOM 0 HG LEU A 72 -3.767 -0.873 -5.970 1.00 0.34 H new ATOM 0 HD11 LEU A 72 -4.806 0.650 -4.353 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -3.653 -0.460 -3.576 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -3.195 1.234 -3.873 1.00 1.04 H new ATOM 0 HD21 LEU A 72 -4.450 1.402 -6.655 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -2.817 1.997 -6.274 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -3.052 0.823 -7.591 1.00 1.00 H new ATOM 975 N ALA A 73 0.909 -1.901 -4.110 1.00 0.22 N ATOM 976 CA ALA A 73 2.041 -1.655 -3.268 1.00 0.30 C ATOM 977 C ALA A 73 3.024 -0.735 -3.974 1.00 0.23 C ATOM 978 O ALA A 73 3.370 -0.955 -5.122 1.00 0.32 O ATOM 979 CB ALA A 73 2.687 -2.973 -2.887 1.00 0.51 C ATOM 0 H ALA A 73 1.096 -2.507 -4.909 1.00 0.22 H new ATOM 0 HA ALA A 73 1.719 -1.157 -2.353 1.00 0.30 H new ATOM 0 HB1 ALA A 73 3.548 -2.784 -2.246 1.00 0.51 H new ATOM 0 HB2 ALA A 73 1.965 -3.591 -2.352 1.00 0.51 H new ATOM 0 HB3 ALA A 73 3.012 -3.493 -3.788 1.00 0.51 H new ATOM 985 N PHE A 74 3.430 0.324 -3.315 1.00 0.29 N ATOM 986 CA PHE A 74 4.444 1.201 -3.867 1.00 0.33 C ATOM 987 C PHE A 74 5.768 0.895 -3.171 1.00 0.35 C ATOM 988 O PHE A 74 5.958 1.240 -2.005 1.00 0.37 O ATOM 989 CB PHE A 74 4.053 2.672 -3.697 1.00 0.44 C ATOM 990 CG PHE A 74 2.863 3.140 -4.515 1.00 0.36 C ATOM 991 CD1 PHE A 74 1.942 2.210 -4.965 1.00 0.43 C ATOM 992 CD2 PHE A 74 2.684 4.473 -4.873 1.00 0.41 C ATOM 993 CE1 PHE A 74 0.864 2.589 -5.752 1.00 0.41 C ATOM 994 CE2 PHE A 74 1.614 4.855 -5.652 1.00 0.43 C ATOM 995 CZ PHE A 74 0.658 4.079 -5.933 1.00 0.35 C ATOM 0 H PHE A 74 3.078 0.602 -2.399 1.00 0.29 H new ATOM 0 HA PHE A 74 4.543 1.026 -4.938 1.00 0.33 H new ATOM 0 HB2 PHE A 74 3.838 2.852 -2.644 1.00 0.44 H new ATOM 0 HB3 PHE A 74 4.913 3.289 -3.957 1.00 0.44 H new ATOM 0 HD1 PHE A 74 2.065 1.171 -4.699 1.00 0.43 H new ATOM 0 HD2 PHE A 74 3.392 5.216 -4.536 1.00 0.41 H new ATOM 0 HE1 PHE A 74 0.209 1.863 -6.210 1.00 0.41 H new ATOM 0 HE2 PHE A 74 1.592 5.863 -6.040 1.00 0.43 H new ATOM 0 HZ PHE A 74 -0.283 4.468 -6.293 1.00 0.35 H new ATOM 1005 N PRO A 75 6.681 0.212 -3.880 1.00 0.37 N ATOM 1006 CA PRO A 75 7.896 -0.377 -3.290 1.00 0.46 C ATOM 1007 C PRO A 75 8.995 0.625 -2.942 1.00 0.61 C ATOM 1008 O PRO A 75 10.068 0.577 -3.528 1.00 1.30 O ATOM 1009 CB PRO A 75 8.369 -1.355 -4.365 1.00 0.54 C ATOM 1010 CG PRO A 75 7.857 -0.799 -5.649 1.00 0.44 C ATOM 1011 CD PRO A 75 6.581 -0.053 -5.323 1.00 0.38 C ATOM 0 HA PRO A 75 7.671 -0.834 -2.327 1.00 0.46 H new ATOM 0 HB2 PRO A 75 9.456 -1.434 -4.375 1.00 0.54 H new ATOM 0 HB3 PRO A 75 7.979 -2.357 -4.186 1.00 0.54 H new ATOM 0 HG2 PRO A 75 8.590 -0.132 -6.101 1.00 0.44 H new ATOM 0 HG3 PRO A 75 7.666 -1.596 -6.367 1.00 0.44 H new ATOM 0 HD2 PRO A 75 6.503 0.872 -5.894 1.00 0.38 H new ATOM 0 HD3 PRO A 75 5.699 -0.649 -5.559 1.00 0.38 H new ATOM 1019 N SER A 76 8.692 1.454 -1.936 1.00 0.41 N ATOM 1020 CA SER A 76 9.558 2.510 -1.359 1.00 0.37 C ATOM 1021 C SER A 76 10.911 2.707 -2.011 1.00 0.50 C ATOM 1022 O SER A 76 11.719 1.783 -2.177 1.00 0.74 O ATOM 1023 CB SER A 76 9.763 2.210 0.129 1.00 0.53 C ATOM 1024 OG SER A 76 10.405 0.958 0.302 1.00 1.44 O ATOM 0 H SER A 76 7.786 1.410 -1.470 1.00 0.41 H new ATOM 0 HA SER A 76 9.026 3.444 -1.541 1.00 0.37 H new ATOM 0 HB2 SER A 76 10.362 2.998 0.585 1.00 0.53 H new ATOM 0 HB3 SER A 76 8.800 2.205 0.640 1.00 0.53 H new ATOM 0 HG SER A 76 11.098 1.038 0.991 1.00 1.44 H new ATOM 1030 N ASN A 77 11.206 3.961 -2.276 1.00 0.52 N ATOM 1031 CA ASN A 77 12.473 4.287 -2.854 1.00 0.72 C ATOM 1032 C ASN A 77 13.453 4.480 -1.703 1.00 0.70 C ATOM 1033 O ASN A 77 13.806 5.584 -1.296 1.00 0.75 O ATOM 1034 CB ASN A 77 12.370 5.480 -3.842 1.00 0.93 C ATOM 1035 CG ASN A 77 12.565 6.864 -3.248 1.00 0.96 C ATOM 1036 OD1 ASN A 77 13.656 7.434 -3.319 1.00 1.81 O ATOM 1037 ND2 ASN A 77 11.524 7.410 -2.651 1.00 1.46 N ATOM 0 H ASN A 77 10.590 4.755 -2.100 1.00 0.52 H new ATOM 0 HA ASN A 77 12.846 3.481 -3.486 1.00 0.72 H new ATOM 0 HB2 ASN A 77 13.111 5.338 -4.629 1.00 0.93 H new ATOM 0 HB3 ASN A 77 11.390 5.447 -4.318 1.00 0.93 H new ATOM 0 HD21 ASN A 77 11.606 8.335 -2.228 1.00 1.46 H new ATOM 0 HD22 ASN A 77 10.637 6.908 -2.612 1.00 1.46 H new ATOM 1044 N GLN A 78 13.845 3.338 -1.134 1.00 0.85 N ATOM 1045 CA GLN A 78 14.846 3.275 -0.071 1.00 0.98 C ATOM 1046 C GLN A 78 16.103 4.022 -0.490 1.00 0.98 C ATOM 1047 O GLN A 78 16.974 4.323 0.323 1.00 1.12 O ATOM 1048 CB GLN A 78 15.193 1.818 0.236 1.00 1.35 C ATOM 1049 CG GLN A 78 14.001 0.961 0.638 1.00 2.07 C ATOM 1050 CD GLN A 78 13.425 1.320 1.992 1.00 2.74 C ATOM 1051 OE1 GLN A 78 12.240 1.127 2.242 1.00 3.34 O ATOM 1052 NE2 GLN A 78 14.257 1.846 2.874 1.00 3.30 N ATOM 0 H GLN A 78 13.474 2.426 -1.401 1.00 0.85 H new ATOM 0 HA GLN A 78 14.435 3.742 0.824 1.00 0.98 H new ATOM 0 HB2 GLN A 78 15.663 1.376 -0.642 1.00 1.35 H new ATOM 0 HB3 GLN A 78 15.930 1.794 1.039 1.00 1.35 H new ATOM 0 HG2 GLN A 78 13.221 1.061 -0.117 1.00 2.07 H new ATOM 0 HG3 GLN A 78 14.304 -0.086 0.647 1.00 2.07 H new ATOM 0 HE21 GLN A 78 15.236 1.991 2.628 1.00 3.30 H new ATOM 0 HE22 GLN A 78 13.920 2.107 3.801 1.00 3.30 H new ATOM 1061 N PHE A 79 16.165 4.314 -1.778 1.00 0.98 N ATOM 1062 CA PHE A 79 17.296 5.011 -2.370 1.00 1.19 C ATOM 1063 C PHE A 79 17.317 6.477 -1.941 1.00 1.20 C ATOM 1064 O PHE A 79 18.318 7.173 -2.115 1.00 1.54 O ATOM 1065 CB PHE A 79 17.237 4.903 -3.894 1.00 1.32 C ATOM 1066 CG PHE A 79 17.348 3.489 -4.399 1.00 1.57 C ATOM 1067 CD1 PHE A 79 18.589 2.907 -4.609 1.00 1.82 C ATOM 1068 CD2 PHE A 79 16.210 2.742 -4.664 1.00 2.02 C ATOM 1069 CE1 PHE A 79 18.691 1.608 -5.071 1.00 2.25 C ATOM 1070 CE2 PHE A 79 16.307 1.444 -5.126 1.00 2.64 C ATOM 1071 CZ PHE A 79 17.549 0.876 -5.330 1.00 2.68 C ATOM 0 H PHE A 79 15.431 4.074 -2.445 1.00 0.98 H new ATOM 0 HA PHE A 79 18.214 4.542 -2.017 1.00 1.19 H new ATOM 0 HB2 PHE A 79 16.299 5.334 -4.245 1.00 1.32 H new ATOM 0 HB3 PHE A 79 18.042 5.499 -4.324 1.00 1.32 H new ATOM 0 HD1 PHE A 79 19.486 3.475 -4.409 1.00 1.82 H new ATOM 0 HD2 PHE A 79 15.236 3.181 -4.507 1.00 2.02 H new ATOM 0 HE1 PHE A 79 19.664 1.166 -5.229 1.00 2.25 H new ATOM 0 HE2 PHE A 79 15.412 0.874 -5.328 1.00 2.64 H new ATOM 0 HZ PHE A 79 17.627 -0.139 -5.691 1.00 2.68 H new ATOM 1081 N GLY A 80 16.200 6.937 -1.395 1.00 1.10 N ATOM 1082 CA GLY A 80 16.121 8.283 -0.863 1.00 1.22 C ATOM 1083 C GLY A 80 16.824 8.395 0.474 1.00 1.24 C ATOM 1084 O GLY A 80 17.609 9.317 0.699 1.00 1.98 O ATOM 0 H GLY A 80 15.339 6.396 -1.311 1.00 1.10 H new ATOM 0 HA2 GLY A 80 16.569 8.981 -1.570 1.00 1.22 H new ATOM 0 HA3 GLY A 80 15.075 8.570 -0.750 1.00 1.22 H new ATOM 1088 N GLY A 81 16.547 7.442 1.357 1.00 1.18 N ATOM 1089 CA GLY A 81 17.230 7.387 2.633 1.00 1.21 C ATOM 1090 C GLY A 81 16.369 7.805 3.807 1.00 1.14 C ATOM 1091 O GLY A 81 16.877 8.322 4.804 1.00 1.49 O ATOM 0 H GLY A 81 15.858 6.704 1.209 1.00 1.18 H new ATOM 0 HA2 GLY A 81 17.587 6.371 2.800 1.00 1.21 H new ATOM 0 HA3 GLY A 81 18.109 8.030 2.592 1.00 1.21 H new ATOM 1095 N GLN A 82 15.067 7.592 3.703 1.00 0.86 N ATOM 1096 CA GLN A 82 14.178 7.839 4.829 1.00 0.82 C ATOM 1097 C GLN A 82 13.238 6.673 5.050 1.00 0.77 C ATOM 1098 O GLN A 82 12.720 6.487 6.145 1.00 0.91 O ATOM 1099 CB GLN A 82 13.355 9.136 4.657 1.00 0.80 C ATOM 1100 CG GLN A 82 12.440 9.166 3.434 1.00 0.75 C ATOM 1101 CD GLN A 82 13.177 9.129 2.101 1.00 1.09 C ATOM 1102 OE1 GLN A 82 14.290 9.630 1.970 1.00 1.74 O ATOM 1103 NE2 GLN A 82 12.569 8.514 1.104 1.00 1.14 N ATOM 0 H GLN A 82 14.605 7.252 2.860 1.00 0.86 H new ATOM 0 HA GLN A 82 14.819 7.958 5.702 1.00 0.82 H new ATOM 0 HB2 GLN A 82 12.747 9.283 5.550 1.00 0.80 H new ATOM 0 HB3 GLN A 82 14.043 9.979 4.597 1.00 0.80 H new ATOM 0 HG2 GLN A 82 11.759 8.317 3.483 1.00 0.75 H new ATOM 0 HG3 GLN A 82 11.829 10.068 3.474 1.00 0.75 H new ATOM 0 HE21 GLN A 82 11.644 8.107 1.244 1.00 1.14 H new ATOM 0 HE22 GLN A 82 13.024 8.445 0.194 1.00 1.14 H new ATOM 1112 N GLU A 83 13.110 5.854 4.029 1.00 0.75 N ATOM 1113 CA GLU A 83 12.021 4.903 3.916 1.00 0.74 C ATOM 1114 C GLU A 83 12.019 3.887 5.060 1.00 0.72 C ATOM 1115 O GLU A 83 13.068 3.526 5.605 1.00 0.88 O ATOM 1116 CB GLU A 83 12.140 4.235 2.560 1.00 0.87 C ATOM 1117 CG GLU A 83 12.337 5.250 1.452 1.00 1.16 C ATOM 1118 CD GLU A 83 11.037 5.862 0.961 1.00 2.33 C ATOM 1119 OE1 GLU A 83 10.549 6.803 1.609 1.00 2.83 O ATOM 1120 OE2 GLU A 83 10.516 5.422 -0.082 1.00 3.07 O ATOM 0 H GLU A 83 13.763 5.828 3.246 1.00 0.75 H new ATOM 0 HA GLU A 83 11.065 5.421 3.995 1.00 0.74 H new ATOM 0 HB2 GLU A 83 12.979 3.539 2.569 1.00 0.87 H new ATOM 0 HB3 GLU A 83 11.242 3.650 2.362 1.00 0.87 H new ATOM 0 HG2 GLU A 83 12.993 6.044 1.809 1.00 1.16 H new ATOM 0 HG3 GLU A 83 12.844 4.770 0.615 1.00 1.16 H new ATOM 1127 N PRO A 84 10.814 3.403 5.400 1.00 0.63 N ATOM 1128 CA PRO A 84 10.530 2.753 6.679 1.00 0.75 C ATOM 1129 C PRO A 84 11.141 1.367 6.843 1.00 1.00 C ATOM 1130 O PRO A 84 11.078 0.522 5.946 1.00 1.75 O ATOM 1131 CB PRO A 84 9.005 2.667 6.692 1.00 1.02 C ATOM 1132 CG PRO A 84 8.586 2.670 5.269 1.00 0.72 C ATOM 1133 CD PRO A 84 9.635 3.421 4.516 1.00 0.61 C ATOM 0 HA PRO A 84 10.967 3.319 7.502 1.00 0.75 H new ATOM 0 HB2 PRO A 84 8.669 1.761 7.196 1.00 1.02 H new ATOM 0 HB3 PRO A 84 8.571 3.510 7.229 1.00 1.02 H new ATOM 0 HG2 PRO A 84 8.492 1.652 4.891 1.00 0.72 H new ATOM 0 HG3 PRO A 84 7.612 3.145 5.153 1.00 0.72 H new ATOM 0 HD2 PRO A 84 9.851 2.947 3.558 1.00 0.61 H new ATOM 0 HD3 PRO A 84 9.316 4.441 4.302 1.00 0.61 H new ATOM 1141 N GLY A 85 11.737 1.150 8.011 1.00 1.45 N ATOM 1142 CA GLY A 85 12.239 -0.157 8.373 1.00 1.82 C ATOM 1143 C GLY A 85 13.546 -0.501 7.696 1.00 1.61 C ATOM 1144 O GLY A 85 14.623 -0.254 8.241 1.00 2.20 O ATOM 0 H GLY A 85 11.881 1.869 8.720 1.00 1.45 H new ATOM 0 HA2 GLY A 85 12.374 -0.201 9.454 1.00 1.82 H new ATOM 0 HA3 GLY A 85 11.494 -0.910 8.114 1.00 1.82 H new ATOM 1148 N ASN A 86 13.448 -1.038 6.492 1.00 1.49 N ATOM 1149 CA ASN A 86 14.603 -1.585 5.791 1.00 2.04 C ATOM 1150 C ASN A 86 15.352 -0.498 5.022 1.00 1.94 C ATOM 1151 O ASN A 86 15.625 -0.641 3.829 1.00 2.70 O ATOM 1152 CB ASN A 86 14.152 -2.699 4.837 1.00 2.78 C ATOM 1153 CG ASN A 86 13.492 -3.863 5.557 1.00 3.58 C ATOM 1154 OD1 ASN A 86 12.275 -3.878 5.750 1.00 4.07 O ATOM 1155 ND2 ASN A 86 14.286 -4.847 5.961 1.00 4.20 N ATOM 0 H ASN A 86 12.573 -1.108 5.973 1.00 1.49 H new ATOM 0 HA ASN A 86 15.288 -1.999 6.531 1.00 2.04 H new ATOM 0 HB2 ASN A 86 13.454 -2.286 4.109 1.00 2.78 H new ATOM 0 HB3 ASN A 86 15.015 -3.065 4.280 1.00 2.78 H new ATOM 0 HD21 ASN A 86 13.893 -5.651 6.450 1.00 4.20 H new ATOM 0 HD22 ASN A 86 15.289 -4.799 5.783 1.00 4.20 H new ATOM 1162 N GLU A 87 15.695 0.580 5.722 1.00 1.52 N ATOM 1163 CA GLU A 87 16.386 1.719 5.119 1.00 1.46 C ATOM 1164 C GLU A 87 17.705 1.288 4.478 1.00 1.60 C ATOM 1165 O GLU A 87 17.972 1.596 3.317 1.00 2.15 O ATOM 1166 CB GLU A 87 16.646 2.795 6.178 1.00 1.61 C ATOM 1167 CG GLU A 87 17.090 4.132 5.599 1.00 2.19 C ATOM 1168 CD GLU A 87 17.377 5.169 6.667 1.00 2.58 C ATOM 1169 OE1 GLU A 87 16.463 5.482 7.459 1.00 2.84 O ATOM 1170 OE2 GLU A 87 18.523 5.664 6.734 1.00 3.02 O ATOM 0 H GLU A 87 15.504 0.690 6.718 1.00 1.52 H new ATOM 0 HA GLU A 87 15.746 2.129 4.337 1.00 1.46 H new ATOM 0 HB2 GLU A 87 15.737 2.946 6.760 1.00 1.61 H new ATOM 0 HB3 GLU A 87 17.410 2.436 6.867 1.00 1.61 H new ATOM 0 HG2 GLU A 87 17.985 3.982 4.995 1.00 2.19 H new ATOM 0 HG3 GLU A 87 16.315 4.509 4.932 1.00 2.19 H new ATOM 1177 N GLU A 88 18.514 0.561 5.237 1.00 1.57 N ATOM 1178 CA GLU A 88 19.820 0.109 4.766 1.00 1.77 C ATOM 1179 C GLU A 88 19.699 -1.083 3.821 1.00 1.62 C ATOM 1180 O GLU A 88 20.542 -1.281 2.946 1.00 1.62 O ATOM 1181 CB GLU A 88 20.697 -0.279 5.957 1.00 2.18 C ATOM 1182 CG GLU A 88 21.080 0.892 6.845 1.00 2.68 C ATOM 1183 CD GLU A 88 21.931 1.903 6.114 1.00 3.33 C ATOM 1184 OE1 GLU A 88 23.121 1.632 5.887 1.00 3.92 O ATOM 1185 OE2 GLU A 88 21.413 2.989 5.776 1.00 3.66 O ATOM 0 H GLU A 88 18.288 0.269 6.188 1.00 1.57 H new ATOM 0 HA GLU A 88 20.275 0.934 4.218 1.00 1.77 H new ATOM 0 HB2 GLU A 88 20.170 -1.021 6.557 1.00 2.18 H new ATOM 0 HB3 GLU A 88 21.605 -0.755 5.587 1.00 2.18 H new ATOM 0 HG2 GLU A 88 20.177 1.378 7.214 1.00 2.68 H new ATOM 0 HG3 GLU A 88 21.622 0.524 7.716 1.00 2.68 H new ATOM 1192 N GLU A 89 18.629 -1.849 3.996 1.00 1.62 N ATOM 1193 CA GLU A 89 18.452 -3.127 3.310 1.00 1.59 C ATOM 1194 C GLU A 89 18.587 -2.986 1.794 1.00 1.49 C ATOM 1195 O GLU A 89 19.500 -3.529 1.182 1.00 1.59 O ATOM 1196 CB GLU A 89 17.060 -3.673 3.630 1.00 1.70 C ATOM 1197 CG GLU A 89 16.864 -5.146 3.317 1.00 1.75 C ATOM 1198 CD GLU A 89 17.290 -6.032 4.465 1.00 2.11 C ATOM 1199 OE1 GLU A 89 17.093 -5.642 5.634 1.00 2.65 O ATOM 1200 OE2 GLU A 89 17.848 -7.117 4.200 1.00 2.45 O ATOM 0 H GLU A 89 17.858 -1.603 4.617 1.00 1.62 H new ATOM 0 HA GLU A 89 19.231 -3.805 3.658 1.00 1.59 H new ATOM 0 HB2 GLU A 89 16.857 -3.511 4.689 1.00 1.70 H new ATOM 0 HB3 GLU A 89 16.322 -3.097 3.072 1.00 1.70 H new ATOM 0 HG2 GLU A 89 15.815 -5.331 3.087 1.00 1.75 H new ATOM 0 HG3 GLU A 89 17.436 -5.406 2.427 1.00 1.75 H new ATOM 1207 N ILE A 90 17.706 -2.198 1.212 1.00 1.43 N ATOM 1208 CA ILE A 90 17.531 -2.159 -0.236 1.00 1.39 C ATOM 1209 C ILE A 90 18.682 -1.431 -0.934 1.00 1.49 C ATOM 1210 O ILE A 90 18.824 -1.489 -2.157 1.00 1.57 O ATOM 1211 CB ILE A 90 16.194 -1.476 -0.567 1.00 1.45 C ATOM 1212 CG1 ILE A 90 15.092 -2.066 0.319 1.00 1.74 C ATOM 1213 CG2 ILE A 90 15.837 -1.614 -2.041 1.00 1.76 C ATOM 1214 CD1 ILE A 90 14.840 -3.538 0.102 1.00 2.15 C ATOM 0 H ILE A 90 17.090 -1.566 1.723 1.00 1.43 H new ATOM 0 HA ILE A 90 17.528 -3.185 -0.605 1.00 1.39 H new ATOM 0 HB ILE A 90 16.291 -0.409 -0.365 1.00 1.45 H new ATOM 0 HG12 ILE A 90 15.358 -1.905 1.364 1.00 1.74 H new ATOM 0 HG13 ILE A 90 14.166 -1.521 0.138 1.00 1.74 H new ATOM 0 HG21 ILE A 90 14.886 -1.118 -2.233 1.00 1.76 H new ATOM 0 HG22 ILE A 90 16.616 -1.153 -2.649 1.00 1.76 H new ATOM 0 HG23 ILE A 90 15.754 -2.670 -2.298 1.00 1.76 H new ATOM 0 HD11 ILE A 90 14.046 -3.873 0.769 1.00 2.15 H new ATOM 0 HD12 ILE A 90 14.541 -3.707 -0.932 1.00 2.15 H new ATOM 0 HD13 ILE A 90 15.751 -4.098 0.313 1.00 2.15 H new ATOM 1226 N LYS A 91 19.510 -0.755 -0.153 1.00 1.71 N ATOM 1227 CA LYS A 91 20.629 -0.011 -0.709 1.00 1.89 C ATOM 1228 C LYS A 91 21.842 -0.912 -0.903 1.00 1.98 C ATOM 1229 O LYS A 91 22.522 -0.838 -1.930 1.00 2.17 O ATOM 1230 CB LYS A 91 20.994 1.169 0.192 1.00 2.00 C ATOM 1231 CG LYS A 91 19.870 2.178 0.364 1.00 2.10 C ATOM 1232 CD LYS A 91 20.312 3.366 1.200 1.00 2.33 C ATOM 1233 CE LYS A 91 20.838 2.927 2.557 1.00 2.39 C ATOM 1234 NZ LYS A 91 21.232 4.082 3.403 1.00 2.79 N ATOM 0 H LYS A 91 19.429 -0.706 0.863 1.00 1.71 H new ATOM 0 HA LYS A 91 20.323 0.371 -1.683 1.00 1.89 H new ATOM 0 HB2 LYS A 91 21.283 0.790 1.172 1.00 2.00 H new ATOM 0 HB3 LYS A 91 21.865 1.676 -0.223 1.00 2.00 H new ATOM 0 HG2 LYS A 91 19.537 2.524 -0.615 1.00 2.10 H new ATOM 0 HG3 LYS A 91 19.016 1.695 0.839 1.00 2.10 H new ATOM 0 HD2 LYS A 91 21.088 3.918 0.669 1.00 2.33 H new ATOM 0 HD3 LYS A 91 19.473 4.048 1.337 1.00 2.33 H new ATOM 0 HE2 LYS A 91 20.073 2.346 3.071 1.00 2.39 H new ATOM 0 HE3 LYS A 91 21.697 2.271 2.417 1.00 2.39 H new ATOM 0 HZ1 LYS A 91 21.663 3.736 4.284 1.00 2.79 H new ATOM 0 HZ2 LYS A 91 21.919 4.670 2.889 1.00 2.79 H new ATOM 0 HZ3 LYS A 91 20.391 4.650 3.629 1.00 2.79 H new ATOM 1248 N GLU A 92 22.109 -1.771 0.073 1.00 2.07 N ATOM 1249 CA GLU A 92 23.288 -2.628 0.019 1.00 2.27 C ATOM 1250 C GLU A 92 22.938 -4.044 -0.435 1.00 2.10 C ATOM 1251 O GLU A 92 23.793 -4.760 -0.961 1.00 2.26 O ATOM 1252 CB GLU A 92 23.997 -2.652 1.373 1.00 2.54 C ATOM 1253 CG GLU A 92 23.148 -3.175 2.517 1.00 2.47 C ATOM 1254 CD GLU A 92 23.843 -3.029 3.851 1.00 2.96 C ATOM 1255 OE1 GLU A 92 23.985 -1.881 4.323 1.00 3.20 O ATOM 1256 OE2 GLU A 92 24.260 -4.052 4.434 1.00 3.29 O ATOM 0 H GLU A 92 21.531 -1.893 0.905 1.00 2.07 H new ATOM 0 HA GLU A 92 23.968 -2.207 -0.722 1.00 2.27 H new ATOM 0 HB2 GLU A 92 24.892 -3.269 1.290 1.00 2.54 H new ATOM 0 HB3 GLU A 92 24.327 -1.642 1.614 1.00 2.54 H new ATOM 0 HG2 GLU A 92 22.201 -2.636 2.541 1.00 2.47 H new ATOM 0 HG3 GLU A 92 22.913 -4.225 2.344 1.00 2.47 H new ATOM 1263 N PHE A 93 21.693 -4.453 -0.240 1.00 1.86 N ATOM 1264 CA PHE A 93 21.260 -5.765 -0.694 1.00 1.75 C ATOM 1265 C PHE A 93 20.731 -5.679 -2.111 1.00 1.59 C ATOM 1266 O PHE A 93 20.432 -4.593 -2.607 1.00 1.69 O ATOM 1267 CB PHE A 93 20.185 -6.341 0.225 1.00 1.73 C ATOM 1268 CG PHE A 93 20.698 -6.707 1.591 1.00 2.09 C ATOM 1269 CD1 PHE A 93 21.340 -7.917 1.795 1.00 2.34 C ATOM 1270 CD2 PHE A 93 20.539 -5.850 2.667 1.00 2.65 C ATOM 1271 CE1 PHE A 93 21.815 -8.261 3.045 1.00 2.87 C ATOM 1272 CE2 PHE A 93 21.012 -6.190 3.920 1.00 3.40 C ATOM 1273 CZ PHE A 93 21.650 -7.398 4.108 1.00 3.42 C ATOM 0 H PHE A 93 20.972 -3.901 0.225 1.00 1.86 H new ATOM 0 HA PHE A 93 22.123 -6.430 -0.670 1.00 1.75 H new ATOM 0 HB2 PHE A 93 19.380 -5.613 0.331 1.00 1.73 H new ATOM 0 HB3 PHE A 93 19.755 -7.227 -0.242 1.00 1.73 H new ATOM 0 HD1 PHE A 93 21.471 -8.599 0.968 1.00 2.34 H new ATOM 0 HD2 PHE A 93 20.039 -4.903 2.525 1.00 2.65 H new ATOM 0 HE1 PHE A 93 22.316 -9.207 3.190 1.00 2.87 H new ATOM 0 HE2 PHE A 93 20.882 -5.511 4.750 1.00 3.40 H new ATOM 0 HZ PHE A 93 22.020 -7.668 5.086 1.00 3.42 H new ATOM 1283 N VAL A 94 20.641 -6.821 -2.763 1.00 1.62 N ATOM 1284 CA VAL A 94 20.121 -6.882 -4.110 1.00 1.68 C ATOM 1285 C VAL A 94 18.601 -6.878 -4.086 1.00 1.54 C ATOM 1286 O VAL A 94 17.979 -7.844 -3.642 1.00 1.74 O ATOM 1287 CB VAL A 94 20.618 -8.142 -4.841 1.00 2.11 C ATOM 1288 CG1 VAL A 94 19.882 -8.326 -6.155 1.00 2.63 C ATOM 1289 CG2 VAL A 94 22.119 -8.072 -5.070 1.00 2.56 C ATOM 0 H VAL A 94 20.923 -7.722 -2.378 1.00 1.62 H new ATOM 0 HA VAL A 94 20.481 -6.004 -4.647 1.00 1.68 H new ATOM 0 HB VAL A 94 20.409 -9.007 -4.211 1.00 2.11 H new ATOM 0 HG11 VAL A 94 20.249 -9.222 -6.655 1.00 2.63 H new ATOM 0 HG12 VAL A 94 18.814 -8.429 -5.963 1.00 2.63 H new ATOM 0 HG13 VAL A 94 20.054 -7.459 -6.793 1.00 2.63 H new ATOM 0 HG21 VAL A 94 22.450 -8.972 -5.588 1.00 2.56 H new ATOM 0 HG22 VAL A 94 22.354 -7.197 -5.676 1.00 2.56 H new ATOM 0 HG23 VAL A 94 22.630 -7.997 -4.110 1.00 2.56 H new ATOM 1299 N CYS A 95 18.004 -5.794 -4.555 1.00 1.47 N ATOM 1300 CA CYS A 95 16.559 -5.698 -4.592 1.00 1.46 C ATOM 1301 C CYS A 95 16.085 -5.043 -5.866 1.00 1.37 C ATOM 1302 O CYS A 95 16.469 -3.918 -6.193 1.00 1.52 O ATOM 1303 CB CYS A 95 16.031 -4.900 -3.401 1.00 1.77 C ATOM 1304 SG CYS A 95 17.083 -4.983 -1.933 1.00 2.83 S ATOM 0 H CYS A 95 18.496 -4.975 -4.912 1.00 1.47 H new ATOM 0 HA CYS A 95 16.173 -6.716 -4.547 1.00 1.46 H new ATOM 0 HB2 CYS A 95 15.920 -3.857 -3.697 1.00 1.77 H new ATOM 0 HB3 CYS A 95 15.037 -5.266 -3.144 1.00 1.77 H new ATOM 0 HG CYS A 95 16.631 -5.897 -1.126 1.00 2.83 H new ATOM 1310 N THR A 96 15.268 -5.774 -6.588 1.00 1.52 N ATOM 1311 CA THR A 96 14.452 -5.201 -7.625 1.00 1.59 C ATOM 1312 C THR A 96 13.192 -4.667 -6.970 1.00 1.08 C ATOM 1313 O THR A 96 12.876 -5.057 -5.843 1.00 1.31 O ATOM 1314 CB THR A 96 14.083 -6.258 -8.680 1.00 2.27 C ATOM 1315 OG1 THR A 96 13.683 -7.475 -8.026 1.00 2.76 O ATOM 1316 CG2 THR A 96 15.254 -6.528 -9.614 1.00 2.98 C ATOM 0 H THR A 96 15.153 -6.781 -6.471 1.00 1.52 H new ATOM 0 HA THR A 96 14.998 -4.405 -8.132 1.00 1.59 H new ATOM 0 HB THR A 96 13.255 -5.877 -9.277 1.00 2.27 H new ATOM 0 HG1 THR A 96 13.447 -8.146 -8.700 1.00 2.76 H new ATOM 0 HG21 THR A 96 14.967 -7.279 -10.350 1.00 2.98 H new ATOM 0 HG22 THR A 96 15.532 -5.606 -10.125 1.00 2.98 H new ATOM 0 HG23 THR A 96 16.103 -6.893 -9.036 1.00 2.98 H new ATOM 1324 N LYS A 97 12.493 -3.771 -7.635 1.00 1.14 N ATOM 1325 CA LYS A 97 11.221 -3.305 -7.121 1.00 1.11 C ATOM 1326 C LYS A 97 10.283 -4.497 -7.047 1.00 1.04 C ATOM 1327 O LYS A 97 9.858 -5.029 -8.072 1.00 1.76 O ATOM 1328 CB LYS A 97 10.634 -2.170 -7.979 1.00 1.47 C ATOM 1329 CG LYS A 97 10.401 -2.522 -9.440 1.00 1.47 C ATOM 1330 CD LYS A 97 9.791 -1.355 -10.201 1.00 1.89 C ATOM 1331 CE LYS A 97 10.750 -0.178 -10.299 1.00 2.34 C ATOM 1332 NZ LYS A 97 11.951 -0.509 -11.111 1.00 2.72 N ATOM 0 H LYS A 97 12.779 -3.355 -8.521 1.00 1.14 H new ATOM 0 HA LYS A 97 11.360 -2.880 -6.127 1.00 1.11 H new ATOM 0 HB2 LYS A 97 9.686 -1.857 -7.541 1.00 1.47 H new ATOM 0 HB3 LYS A 97 11.306 -1.313 -7.930 1.00 1.47 H new ATOM 0 HG2 LYS A 97 11.346 -2.806 -9.903 1.00 1.47 H new ATOM 0 HG3 LYS A 97 9.741 -3.387 -9.507 1.00 1.47 H new ATOM 0 HD2 LYS A 97 9.513 -1.681 -11.203 1.00 1.89 H new ATOM 0 HD3 LYS A 97 8.875 -1.036 -9.704 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.235 0.674 -10.743 1.00 2.34 H new ATOM 0 HE3 LYS A 97 11.060 0.123 -9.298 1.00 2.34 H new ATOM 0 HZ1 LYS A 97 12.476 0.363 -11.325 1.00 2.72 H new ATOM 0 HZ2 LYS A 97 12.562 -1.159 -10.577 1.00 2.72 H new ATOM 0 HZ3 LYS A 97 11.655 -0.962 -11.999 1.00 2.72 H new ATOM 1346 N PHE A 98 10.040 -4.950 -5.818 1.00 0.89 N ATOM 1347 CA PHE A 98 9.283 -6.168 -5.567 1.00 0.92 C ATOM 1348 C PHE A 98 8.026 -6.200 -6.420 1.00 1.11 C ATOM 1349 O PHE A 98 7.185 -5.316 -6.335 1.00 2.12 O ATOM 1350 CB PHE A 98 8.980 -6.293 -4.058 1.00 1.15 C ATOM 1351 CG PHE A 98 7.527 -6.437 -3.686 1.00 0.75 C ATOM 1352 CD1 PHE A 98 6.903 -7.673 -3.723 1.00 1.02 C ATOM 1353 CD2 PHE A 98 6.788 -5.335 -3.290 1.00 0.96 C ATOM 1354 CE1 PHE A 98 5.571 -7.803 -3.375 1.00 0.94 C ATOM 1355 CE2 PHE A 98 5.456 -5.463 -2.941 1.00 0.87 C ATOM 1356 CZ PHE A 98 4.850 -6.700 -2.985 1.00 0.45 C ATOM 0 H PHE A 98 10.363 -4.481 -4.972 1.00 0.89 H new ATOM 0 HA PHE A 98 9.877 -7.035 -5.854 1.00 0.92 H new ATOM 0 HB2 PHE A 98 9.521 -7.155 -3.669 1.00 1.15 H new ATOM 0 HB3 PHE A 98 9.378 -5.413 -3.553 1.00 1.15 H new ATOM 0 HD1 PHE A 98 7.463 -8.545 -4.027 1.00 1.02 H new ATOM 0 HD2 PHE A 98 7.258 -4.363 -3.253 1.00 0.96 H new ATOM 0 HE1 PHE A 98 5.097 -8.773 -3.410 1.00 0.94 H new ATOM 0 HE2 PHE A 98 4.891 -4.595 -2.634 1.00 0.87 H new ATOM 0 HZ PHE A 98 3.810 -6.802 -2.713 1.00 0.45 H new ATOM 1366 N LYS A 99 7.954 -7.183 -7.299 1.00 0.80 N ATOM 1367 CA LYS A 99 6.796 -7.353 -8.156 1.00 0.78 C ATOM 1368 C LYS A 99 6.010 -8.583 -7.717 1.00 0.79 C ATOM 1369 O LYS A 99 6.589 -9.561 -7.244 1.00 1.43 O ATOM 1370 CB LYS A 99 7.235 -7.472 -9.614 1.00 1.02 C ATOM 1371 CG LYS A 99 6.100 -7.299 -10.608 1.00 1.34 C ATOM 1372 CD LYS A 99 6.619 -7.203 -12.034 1.00 1.63 C ATOM 1373 CE LYS A 99 7.590 -6.042 -12.202 1.00 2.05 C ATOM 1374 NZ LYS A 99 8.056 -5.906 -13.606 1.00 2.69 N ATOM 0 H LYS A 99 8.687 -7.878 -7.438 1.00 0.80 H new ATOM 0 HA LYS A 99 6.148 -6.481 -8.070 1.00 0.78 H new ATOM 0 HB2 LYS A 99 8.001 -6.723 -9.816 1.00 1.02 H new ATOM 0 HB3 LYS A 99 7.695 -8.448 -9.767 1.00 1.02 H new ATOM 0 HG2 LYS A 99 5.412 -8.140 -10.526 1.00 1.34 H new ATOM 0 HG3 LYS A 99 5.535 -6.399 -10.364 1.00 1.34 H new ATOM 0 HD2 LYS A 99 7.116 -8.135 -12.304 1.00 1.63 H new ATOM 0 HD3 LYS A 99 5.780 -7.078 -12.719 1.00 1.63 H new ATOM 0 HE2 LYS A 99 7.106 -5.117 -11.889 1.00 2.05 H new ATOM 0 HE3 LYS A 99 8.449 -6.190 -11.547 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 8.715 -5.104 -13.677 1.00 2.69 H new ATOM 0 HZ2 LYS A 99 8.540 -6.779 -13.897 1.00 2.69 H new ATOM 0 HZ3 LYS A 99 7.240 -5.739 -14.228 1.00 2.69 H new ATOM 1388 N ALA A 100 4.696 -8.533 -7.862 1.00 0.51 N ATOM 1389 CA ALA A 100 3.833 -9.577 -7.334 1.00 0.43 C ATOM 1390 C ALA A 100 2.615 -9.771 -8.197 1.00 0.40 C ATOM 1391 O ALA A 100 2.543 -9.265 -9.315 1.00 0.55 O ATOM 1392 CB ALA A 100 3.371 -9.212 -5.942 1.00 0.43 C ATOM 0 H ALA A 100 4.203 -7.780 -8.342 1.00 0.51 H new ATOM 0 HA ALA A 100 4.412 -10.500 -7.317 1.00 0.43 H new ATOM 0 HB1 ALA A 100 2.725 -10.000 -5.555 1.00 0.43 H new ATOM 0 HB2 ALA A 100 4.237 -9.099 -5.289 1.00 0.43 H new ATOM 0 HB3 ALA A 100 2.818 -8.274 -5.977 1.00 0.43 H new ATOM 1398 N GLU A 101 1.637 -10.476 -7.650 1.00 0.34 N ATOM 1399 CA GLU A 101 0.388 -10.673 -8.342 1.00 0.40 C ATOM 1400 C GLU A 101 -0.608 -9.579 -7.966 1.00 0.43 C ATOM 1401 O GLU A 101 -1.819 -9.789 -8.010 1.00 0.67 O ATOM 1402 CB GLU A 101 -0.198 -12.056 -8.054 1.00 0.50 C ATOM 1403 CG GLU A 101 0.762 -13.194 -8.353 1.00 0.67 C ATOM 1404 CD GLU A 101 0.077 -14.542 -8.404 1.00 1.24 C ATOM 1405 OE1 GLU A 101 -0.270 -15.088 -7.336 1.00 1.99 O ATOM 1406 OE2 GLU A 101 -0.112 -15.070 -9.520 1.00 1.57 O ATOM 0 H GLU A 101 1.690 -10.917 -6.732 1.00 0.34 H new ATOM 0 HA GLU A 101 0.586 -10.613 -9.412 1.00 0.40 H new ATOM 0 HB2 GLU A 101 -0.493 -12.106 -7.006 1.00 0.50 H new ATOM 0 HB3 GLU A 101 -1.103 -12.189 -8.647 1.00 0.50 H new ATOM 0 HG2 GLU A 101 1.255 -13.006 -9.307 1.00 0.67 H new ATOM 0 HG3 GLU A 101 1.541 -13.216 -7.591 1.00 0.67 H new ATOM 1413 N PHE A 102 -0.081 -8.420 -7.581 1.00 0.38 N ATOM 1414 CA PHE A 102 -0.878 -7.258 -7.278 1.00 0.40 C ATOM 1415 C PHE A 102 -0.096 -6.009 -7.680 1.00 0.45 C ATOM 1416 O PHE A 102 1.130 -6.049 -7.773 1.00 0.80 O ATOM 1417 CB PHE A 102 -1.289 -7.232 -5.799 1.00 0.84 C ATOM 1418 CG PHE A 102 -0.184 -7.415 -4.823 1.00 0.45 C ATOM 1419 CD1 PHE A 102 0.233 -8.679 -4.478 1.00 0.52 C ATOM 1420 CD2 PHE A 102 0.412 -6.325 -4.235 1.00 0.62 C ATOM 1421 CE1 PHE A 102 1.238 -8.860 -3.556 1.00 0.59 C ATOM 1422 CE2 PHE A 102 1.424 -6.492 -3.312 1.00 0.58 C ATOM 1423 CZ PHE A 102 1.837 -7.769 -2.973 1.00 0.44 C ATOM 0 H PHE A 102 0.922 -8.270 -7.473 1.00 0.38 H new ATOM 0 HA PHE A 102 -1.806 -7.291 -7.848 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -1.778 -6.280 -5.593 1.00 0.84 H new ATOM 0 HB3 PHE A 102 -2.030 -8.014 -5.632 1.00 0.84 H new ATOM 0 HD1 PHE A 102 -0.233 -9.539 -4.936 1.00 0.52 H new ATOM 0 HD2 PHE A 102 0.086 -5.330 -4.498 1.00 0.62 H new ATOM 0 HE1 PHE A 102 1.556 -9.858 -3.291 1.00 0.59 H new ATOM 0 HE2 PHE A 102 1.891 -5.631 -2.857 1.00 0.58 H new ATOM 0 HZ PHE A 102 2.629 -7.908 -2.252 1.00 0.44 H new ATOM 1433 N PRO A 103 -0.810 -4.909 -7.948 1.00 0.33 N ATOM 1434 CA PRO A 103 -0.255 -3.668 -8.521 1.00 0.39 C ATOM 1435 C PRO A 103 0.820 -3.022 -7.674 1.00 0.41 C ATOM 1436 O PRO A 103 0.548 -2.156 -6.855 1.00 0.62 O ATOM 1437 CB PRO A 103 -1.472 -2.749 -8.625 1.00 0.42 C ATOM 1438 CG PRO A 103 -2.419 -3.305 -7.636 1.00 0.58 C ATOM 1439 CD PRO A 103 -2.242 -4.780 -7.707 1.00 0.27 C ATOM 0 HA PRO A 103 0.243 -3.869 -9.469 1.00 0.39 H new ATOM 0 HB2 PRO A 103 -1.214 -1.715 -8.394 1.00 0.42 H new ATOM 0 HB3 PRO A 103 -1.894 -2.756 -9.630 1.00 0.42 H new ATOM 0 HG2 PRO A 103 -2.206 -2.931 -6.634 1.00 0.58 H new ATOM 0 HG3 PRO A 103 -3.445 -3.020 -7.871 1.00 0.58 H new ATOM 0 HD2 PRO A 103 -2.545 -5.271 -6.782 1.00 0.27 H new ATOM 0 HD3 PRO A 103 -2.831 -5.222 -8.510 1.00 0.27 H new ATOM 1447 N ILE A 104 2.049 -3.422 -7.904 1.00 0.35 N ATOM 1448 CA ILE A 104 3.170 -2.807 -7.244 1.00 0.35 C ATOM 1449 C ILE A 104 3.790 -1.851 -8.204 1.00 0.33 C ATOM 1450 O ILE A 104 4.118 -2.206 -9.336 1.00 0.44 O ATOM 1451 CB ILE A 104 4.206 -3.805 -6.798 1.00 0.41 C ATOM 1452 CG1 ILE A 104 3.512 -4.935 -6.059 1.00 0.52 C ATOM 1453 CG2 ILE A 104 5.235 -3.113 -5.906 1.00 0.45 C ATOM 1454 CD1 ILE A 104 4.366 -6.143 -5.978 1.00 1.34 C ATOM 0 H ILE A 104 2.295 -4.175 -8.547 1.00 0.35 H new ATOM 0 HA ILE A 104 2.808 -2.308 -6.345 1.00 0.35 H new ATOM 0 HB ILE A 104 4.730 -4.218 -7.660 1.00 0.41 H new ATOM 0 HG12 ILE A 104 3.251 -4.606 -5.053 1.00 0.52 H new ATOM 0 HG13 ILE A 104 2.579 -5.182 -6.566 1.00 0.52 H new ATOM 0 HG21 ILE A 104 5.984 -3.837 -5.585 1.00 0.45 H new ATOM 0 HG22 ILE A 104 5.721 -2.313 -6.464 1.00 0.45 H new ATOM 0 HG23 ILE A 104 4.736 -2.695 -5.032 1.00 0.45 H new ATOM 0 HD11 ILE A 104 3.834 -6.929 -5.442 1.00 1.34 H new ATOM 0 HD12 ILE A 104 4.605 -6.488 -6.984 1.00 1.34 H new ATOM 0 HD13 ILE A 104 5.288 -5.902 -5.448 1.00 1.34 H new ATOM 1466 N MET A 105 3.939 -0.646 -7.762 1.00 0.29 N ATOM 1467 CA MET A 105 4.080 0.432 -8.678 1.00 0.30 C ATOM 1468 C MET A 105 5.505 0.914 -8.814 1.00 0.27 C ATOM 1469 O MET A 105 6.452 0.204 -8.486 1.00 0.35 O ATOM 1470 CB MET A 105 3.149 1.542 -8.242 1.00 0.43 C ATOM 1471 CG MET A 105 1.707 1.097 -8.165 1.00 1.50 C ATOM 1472 SD MET A 105 0.910 0.903 -9.780 1.00 2.49 S ATOM 1473 CE MET A 105 1.525 -0.683 -10.340 1.00 3.03 C ATOM 0 H MET A 105 3.966 -0.386 -6.776 1.00 0.29 H new ATOM 0 HA MET A 105 3.809 0.084 -9.675 1.00 0.30 H new ATOM 0 HB2 MET A 105 3.463 1.912 -7.266 1.00 0.43 H new ATOM 0 HB3 MET A 105 3.231 2.375 -8.940 1.00 0.43 H new ATOM 0 HG2 MET A 105 1.658 0.148 -7.631 1.00 1.50 H new ATOM 0 HG3 MET A 105 1.144 1.823 -7.578 1.00 1.50 H new ATOM 0 HE1 MET A 105 0.820 -1.117 -11.049 1.00 3.03 H new ATOM 0 HE2 MET A 105 2.491 -0.548 -10.826 1.00 3.03 H new ATOM 0 HE3 MET A 105 1.639 -1.351 -9.486 1.00 3.03 H new ATOM 1483 N ALA A 106 5.639 2.134 -9.301 1.00 0.33 N ATOM 1484 CA ALA A 106 6.931 2.695 -9.657 1.00 0.52 C ATOM 1485 C ALA A 106 7.833 2.892 -8.455 1.00 0.66 C ATOM 1486 O ALA A 106 8.992 3.256 -8.612 1.00 1.46 O ATOM 1487 CB ALA A 106 6.718 4.016 -10.362 1.00 0.70 C ATOM 0 H ALA A 106 4.854 2.765 -9.461 1.00 0.33 H new ATOM 0 HA ALA A 106 7.432 1.985 -10.315 1.00 0.52 H new ATOM 0 HB1 ALA A 106 7.683 4.444 -10.633 1.00 0.70 H new ATOM 0 HB2 ALA A 106 6.126 3.856 -11.263 1.00 0.70 H new ATOM 0 HB3 ALA A 106 6.191 4.702 -9.699 1.00 0.70 H new ATOM 1493 N LYS A 107 7.283 2.597 -7.275 1.00 0.40 N ATOM 1494 CA LYS A 107 7.871 2.933 -5.981 1.00 0.36 C ATOM 1495 C LYS A 107 8.071 4.409 -5.868 1.00 0.38 C ATOM 1496 O LYS A 107 8.627 5.075 -6.737 1.00 0.59 O ATOM 1497 CB LYS A 107 9.196 2.219 -5.676 1.00 0.49 C ATOM 1498 CG LYS A 107 10.454 2.832 -6.275 1.00 0.84 C ATOM 1499 CD LYS A 107 11.709 2.230 -5.664 1.00 0.83 C ATOM 1500 CE LYS A 107 11.794 0.732 -5.901 1.00 0.95 C ATOM 1501 NZ LYS A 107 12.813 0.094 -5.026 1.00 1.76 N ATOM 0 H LYS A 107 6.393 2.105 -7.193 1.00 0.40 H new ATOM 0 HA LYS A 107 7.153 2.579 -5.242 1.00 0.36 H new ATOM 0 HB2 LYS A 107 9.319 2.177 -4.594 1.00 0.49 H new ATOM 0 HB3 LYS A 107 9.118 1.190 -6.028 1.00 0.49 H new ATOM 0 HG2 LYS A 107 10.460 2.673 -7.353 1.00 0.84 H new ATOM 0 HG3 LYS A 107 10.449 3.910 -6.112 1.00 0.84 H new ATOM 0 HD2 LYS A 107 12.588 2.715 -6.089 1.00 0.83 H new ATOM 0 HD3 LYS A 107 11.722 2.429 -4.592 1.00 0.83 H new ATOM 0 HE2 LYS A 107 10.820 0.278 -5.716 1.00 0.95 H new ATOM 0 HE3 LYS A 107 12.041 0.542 -6.946 1.00 0.95 H new ATOM 0 HZ1 LYS A 107 13.307 -0.652 -5.556 1.00 1.76 H new ATOM 0 HZ2 LYS A 107 13.500 0.810 -4.714 1.00 1.76 H new ATOM 0 HZ3 LYS A 107 12.346 -0.323 -4.196 1.00 1.76 H new ATOM 1515 N ILE A 108 7.588 4.922 -4.794 1.00 0.31 N ATOM 1516 CA ILE A 108 7.811 6.275 -4.484 1.00 0.35 C ATOM 1517 C ILE A 108 8.116 6.381 -3.015 1.00 0.36 C ATOM 1518 O ILE A 108 7.990 5.403 -2.276 1.00 0.42 O ATOM 1519 CB ILE A 108 6.618 7.173 -4.908 1.00 0.48 C ATOM 1520 CG1 ILE A 108 5.267 6.537 -4.550 1.00 0.82 C ATOM 1521 CG2 ILE A 108 6.673 7.413 -6.417 1.00 0.68 C ATOM 1522 CD1 ILE A 108 5.050 6.279 -3.077 1.00 0.64 C ATOM 0 H ILE A 108 7.029 4.411 -4.111 1.00 0.31 H new ATOM 0 HA ILE A 108 8.664 6.644 -5.053 1.00 0.35 H new ATOM 0 HB ILE A 108 6.703 8.115 -4.366 1.00 0.48 H new ATOM 0 HG12 ILE A 108 4.470 7.187 -4.910 1.00 0.82 H new ATOM 0 HG13 ILE A 108 5.174 5.592 -5.086 1.00 0.82 H new ATOM 0 HG21 ILE A 108 5.836 8.044 -6.716 1.00 0.68 H new ATOM 0 HG22 ILE A 108 7.610 7.908 -6.673 1.00 0.68 H new ATOM 0 HG23 ILE A 108 6.613 6.458 -6.940 1.00 0.68 H new ATOM 0 HD11 ILE A 108 4.069 5.829 -2.927 1.00 0.64 H new ATOM 0 HD12 ILE A 108 5.820 5.601 -2.709 1.00 0.64 H new ATOM 0 HD13 ILE A 108 5.105 7.221 -2.531 1.00 0.64 H new ATOM 1534 N ASN A 109 8.581 7.530 -2.636 1.00 0.38 N ATOM 1535 CA ASN A 109 8.766 7.883 -1.244 1.00 0.44 C ATOM 1536 C ASN A 109 7.538 7.503 -0.446 1.00 0.47 C ATOM 1537 O ASN A 109 6.465 8.057 -0.646 1.00 0.76 O ATOM 1538 CB ASN A 109 8.995 9.379 -1.194 1.00 0.53 C ATOM 1539 CG ASN A 109 9.600 9.890 0.109 1.00 0.98 C ATOM 1540 OD1 ASN A 109 10.244 10.937 0.134 1.00 1.73 O ATOM 1541 ND2 ASN A 109 9.414 9.168 1.197 1.00 1.16 N ATOM 0 H ASN A 109 8.850 8.268 -3.287 1.00 0.38 H new ATOM 0 HA ASN A 109 9.615 7.352 -0.812 1.00 0.44 H new ATOM 0 HB2 ASN A 109 9.651 9.660 -2.018 1.00 0.53 H new ATOM 0 HB3 ASN A 109 8.043 9.884 -1.359 1.00 0.53 H new ATOM 0 HD21 ASN A 109 9.809 9.475 2.086 1.00 1.16 H new ATOM 0 HD22 ASN A 109 8.876 8.303 1.149 1.00 1.16 H new ATOM 1548 N VAL A 110 7.665 6.512 0.403 1.00 0.41 N ATOM 1549 CA VAL A 110 6.670 6.326 1.422 1.00 0.42 C ATOM 1550 C VAL A 110 7.356 6.491 2.752 1.00 0.44 C ATOM 1551 O VAL A 110 7.845 5.545 3.356 1.00 0.48 O ATOM 1552 CB VAL A 110 5.997 4.941 1.315 1.00 0.43 C ATOM 1553 CG1 VAL A 110 5.029 4.913 0.148 1.00 0.60 C ATOM 1554 CG2 VAL A 110 7.033 3.839 1.150 1.00 0.77 C ATOM 0 H VAL A 110 8.430 5.838 0.408 1.00 0.41 H new ATOM 0 HA VAL A 110 5.874 7.061 1.305 1.00 0.42 H new ATOM 0 HB VAL A 110 5.449 4.764 2.241 1.00 0.43 H new ATOM 0 HG11 VAL A 110 4.563 3.930 0.086 1.00 0.60 H new ATOM 0 HG12 VAL A 110 4.260 5.671 0.295 1.00 0.60 H new ATOM 0 HG13 VAL A 110 5.568 5.118 -0.777 1.00 0.60 H new ATOM 0 HG21 VAL A 110 6.530 2.875 1.077 1.00 0.77 H new ATOM 0 HG22 VAL A 110 7.611 4.016 0.243 1.00 0.77 H new ATOM 0 HG23 VAL A 110 7.701 3.836 2.011 1.00 0.77 H new ATOM 1564 N ASN A 111 7.334 7.717 3.220 1.00 0.48 N ATOM 1565 CA ASN A 111 8.039 8.080 4.421 1.00 0.56 C ATOM 1566 C ASN A 111 7.882 9.564 4.661 1.00 0.62 C ATOM 1567 O ASN A 111 7.230 10.262 3.889 1.00 0.67 O ATOM 1568 CB ASN A 111 9.515 7.694 4.367 1.00 0.65 C ATOM 1569 CG ASN A 111 10.045 7.429 5.766 1.00 1.20 C ATOM 1570 OD1 ASN A 111 9.876 6.340 6.308 1.00 1.90 O ATOM 1571 ND2 ASN A 111 10.700 8.419 6.361 1.00 1.72 N ATOM 0 H ASN A 111 6.829 8.486 2.779 1.00 0.48 H new ATOM 0 HA ASN A 111 7.604 7.524 5.251 1.00 0.56 H new ATOM 0 HB2 ASN A 111 9.643 6.806 3.749 1.00 0.65 H new ATOM 0 HB3 ASN A 111 10.090 8.493 3.899 1.00 0.65 H new ATOM 0 HD21 ASN A 111 11.081 8.288 7.298 1.00 1.72 H new ATOM 0 HD22 ASN A 111 10.822 9.311 5.881 1.00 1.72 H new ATOM 1578 N GLY A 112 8.514 10.029 5.711 1.00 0.73 N ATOM 1579 CA GLY A 112 8.201 11.308 6.269 1.00 0.85 C ATOM 1580 C GLY A 112 8.725 12.544 5.567 1.00 0.93 C ATOM 1581 O GLY A 112 8.501 13.637 6.081 1.00 1.47 O ATOM 0 H GLY A 112 9.257 9.527 6.197 1.00 0.73 H new ATOM 0 HA2 GLY A 112 7.115 11.391 6.323 1.00 0.85 H new ATOM 0 HA3 GLY A 112 8.573 11.324 7.293 1.00 0.85 H new ATOM 1585 N GLU A 113 9.403 12.454 4.427 1.00 0.88 N ATOM 1586 CA GLU A 113 9.944 13.698 3.884 1.00 1.23 C ATOM 1587 C GLU A 113 9.174 14.213 2.672 1.00 1.10 C ATOM 1588 O GLU A 113 8.882 15.403 2.593 1.00 1.39 O ATOM 1589 CB GLU A 113 11.436 13.603 3.596 1.00 1.61 C ATOM 1590 CG GLU A 113 11.836 12.453 2.713 1.00 1.83 C ATOM 1591 CD GLU A 113 13.278 12.579 2.284 1.00 2.29 C ATOM 1592 OE1 GLU A 113 14.178 12.242 3.079 1.00 2.81 O ATOM 1593 OE2 GLU A 113 13.518 12.993 1.133 1.00 2.65 O ATOM 0 H GLU A 113 9.583 11.603 3.894 1.00 0.88 H new ATOM 0 HA GLU A 113 9.809 14.439 4.672 1.00 1.23 H new ATOM 0 HB2 GLU A 113 11.761 14.532 3.128 1.00 1.61 H new ATOM 0 HB3 GLU A 113 11.970 13.519 4.543 1.00 1.61 H new ATOM 0 HG2 GLU A 113 11.692 11.513 3.246 1.00 1.83 H new ATOM 0 HG3 GLU A 113 11.192 12.423 1.834 1.00 1.83 H new ATOM 1600 N ASN A 114 8.822 13.345 1.736 1.00 0.79 N ATOM 1601 CA ASN A 114 8.043 13.787 0.592 1.00 0.79 C ATOM 1602 C ASN A 114 6.839 12.905 0.446 1.00 0.79 C ATOM 1603 O ASN A 114 5.763 13.361 0.053 1.00 1.22 O ATOM 1604 CB ASN A 114 8.844 13.730 -0.718 1.00 0.87 C ATOM 1605 CG ASN A 114 10.203 14.398 -0.619 1.00 1.45 C ATOM 1606 OD1 ASN A 114 10.329 15.608 -0.803 1.00 2.06 O ATOM 1607 ND2 ASN A 114 11.230 13.605 -0.356 1.00 2.16 N ATOM 0 H ASN A 114 9.057 12.353 1.744 1.00 0.79 H new ATOM 0 HA ASN A 114 7.759 14.824 0.773 1.00 0.79 H new ATOM 0 HB2 ASN A 114 8.979 12.688 -1.008 1.00 0.87 H new ATOM 0 HB3 ASN A 114 8.268 14.209 -1.509 1.00 0.87 H new ATOM 0 HD21 ASN A 114 12.172 13.992 -0.299 1.00 2.16 H new ATOM 0 HD22 ASN A 114 11.079 12.607 -0.210 1.00 2.16 H new ATOM 1614 N ALA A 115 7.034 11.641 0.819 1.00 0.59 N ATOM 1615 CA ALA A 115 6.093 10.591 0.508 1.00 0.61 C ATOM 1616 C ALA A 115 5.626 10.757 -0.929 1.00 0.68 C ATOM 1617 O ALA A 115 6.400 11.141 -1.805 1.00 1.26 O ATOM 1618 CB ALA A 115 4.929 10.596 1.487 1.00 0.86 C ATOM 0 H ALA A 115 7.850 11.327 1.344 1.00 0.59 H new ATOM 0 HA ALA A 115 6.579 9.621 0.608 1.00 0.61 H new ATOM 0 HB1 ALA A 115 4.235 9.796 1.231 1.00 0.86 H new ATOM 0 HB2 ALA A 115 5.304 10.441 2.499 1.00 0.86 H new ATOM 0 HB3 ALA A 115 4.413 11.555 1.434 1.00 0.86 H new ATOM 1624 N HIS A 116 4.389 10.441 -1.179 1.00 0.42 N ATOM 1625 CA HIS A 116 3.778 10.750 -2.428 1.00 0.35 C ATOM 1626 C HIS A 116 2.412 11.272 -2.115 1.00 0.29 C ATOM 1627 O HIS A 116 1.780 10.744 -1.225 1.00 0.29 O ATOM 1628 CB HIS A 116 3.749 9.491 -3.315 1.00 0.35 C ATOM 1629 CG HIS A 116 2.785 9.564 -4.451 1.00 0.31 C ATOM 1630 ND1 HIS A 116 1.455 9.526 -4.221 1.00 0.33 N ATOM 1631 CD2 HIS A 116 2.931 9.743 -5.791 1.00 0.31 C ATOM 1632 CE1 HIS A 116 0.802 9.702 -5.331 1.00 0.32 C ATOM 1633 NE2 HIS A 116 1.663 9.833 -6.317 1.00 0.32 N ATOM 0 H HIS A 116 3.778 9.961 -0.518 1.00 0.42 H new ATOM 0 HA HIS A 116 4.331 11.503 -2.989 1.00 0.35 H new ATOM 0 HB2 HIS A 116 4.749 9.318 -3.713 1.00 0.35 H new ATOM 0 HB3 HIS A 116 3.498 8.630 -2.696 1.00 0.35 H new ATOM 0 HD2 HIS A 116 3.861 9.803 -6.336 1.00 0.31 H new ATOM 0 HE1 HIS A 116 -0.273 9.735 -5.428 1.00 0.32 H new ATOM 0 HE2 HIS A 116 1.431 9.976 -7.300 1.00 0.32 H new ATOM 1642 N PRO A 117 1.967 12.330 -2.809 1.00 0.31 N ATOM 1643 CA PRO A 117 0.650 12.936 -2.637 1.00 0.31 C ATOM 1644 C PRO A 117 -0.410 11.959 -2.118 1.00 0.26 C ATOM 1645 O PRO A 117 -1.111 12.248 -1.161 1.00 0.27 O ATOM 1646 CB PRO A 117 0.337 13.383 -4.061 1.00 0.37 C ATOM 1647 CG PRO A 117 1.661 13.688 -4.693 1.00 0.40 C ATOM 1648 CD PRO A 117 2.730 13.064 -3.827 1.00 0.38 C ATOM 0 HA PRO A 117 0.645 13.731 -1.891 1.00 0.31 H new ATOM 0 HB2 PRO A 117 -0.188 12.601 -4.610 1.00 0.37 H new ATOM 0 HB3 PRO A 117 -0.309 14.261 -4.062 1.00 0.37 H new ATOM 0 HG2 PRO A 117 1.705 13.286 -5.705 1.00 0.40 H new ATOM 0 HG3 PRO A 117 1.810 14.765 -4.771 1.00 0.40 H new ATOM 0 HD2 PRO A 117 3.374 12.399 -4.402 1.00 0.38 H new ATOM 0 HD3 PRO A 117 3.374 13.820 -3.377 1.00 0.38 H new ATOM 1656 N LEU A 118 -0.479 10.786 -2.742 1.00 0.24 N ATOM 1657 CA LEU A 118 -1.392 9.715 -2.343 1.00 0.23 C ATOM 1658 C LEU A 118 -1.141 9.242 -0.906 1.00 0.27 C ATOM 1659 O LEU A 118 -2.052 9.202 -0.089 1.00 0.28 O ATOM 1660 CB LEU A 118 -1.224 8.556 -3.307 1.00 0.24 C ATOM 1661 CG LEU A 118 -2.024 7.306 -3.001 1.00 0.25 C ATOM 1662 CD1 LEU A 118 -3.498 7.575 -3.207 1.00 0.39 C ATOM 1663 CD2 LEU A 118 -1.559 6.145 -3.867 1.00 0.27 C ATOM 0 H LEU A 118 0.102 10.549 -3.546 1.00 0.24 H new ATOM 0 HA LEU A 118 -2.411 10.101 -2.376 1.00 0.23 H new ATOM 0 HB2 LEU A 118 -1.495 8.900 -4.305 1.00 0.24 H new ATOM 0 HB3 LEU A 118 -0.168 8.287 -3.338 1.00 0.24 H new ATOM 0 HG LEU A 118 -1.862 7.031 -1.959 1.00 0.25 H new ATOM 0 HD11 LEU A 118 -4.067 6.672 -2.985 1.00 0.39 H new ATOM 0 HD12 LEU A 118 -3.818 8.378 -2.543 1.00 0.39 H new ATOM 0 HD13 LEU A 118 -3.673 7.869 -4.242 1.00 0.39 H new ATOM 0 HD21 LEU A 118 -2.146 5.257 -3.631 1.00 0.27 H new ATOM 0 HD22 LEU A 118 -1.692 6.399 -4.919 1.00 0.27 H new ATOM 0 HD23 LEU A 118 -0.505 5.945 -3.672 1.00 0.27 H new ATOM 1675 N TYR A 119 0.101 8.894 -0.603 1.00 0.32 N ATOM 1676 CA TYR A 119 0.460 8.399 0.721 1.00 0.42 C ATOM 1677 C TYR A 119 0.561 9.517 1.718 1.00 0.40 C ATOM 1678 O TYR A 119 0.233 9.336 2.882 1.00 0.41 O ATOM 1679 CB TYR A 119 1.763 7.643 0.682 1.00 0.57 C ATOM 1680 CG TYR A 119 1.640 6.331 -0.016 1.00 0.54 C ATOM 1681 CD1 TYR A 119 1.009 5.260 0.593 1.00 1.09 C ATOM 1682 CD2 TYR A 119 2.157 6.157 -1.277 1.00 0.92 C ATOM 1683 CE1 TYR A 119 0.906 4.043 -0.042 1.00 1.88 C ATOM 1684 CE2 TYR A 119 2.063 4.949 -1.913 1.00 1.74 C ATOM 1685 CZ TYR A 119 1.439 3.891 -1.296 1.00 2.20 C ATOM 1686 OH TYR A 119 1.371 2.675 -1.927 1.00 3.04 O ATOM 0 H TYR A 119 0.881 8.945 -1.258 1.00 0.32 H new ATOM 0 HA TYR A 119 -0.336 7.723 1.034 1.00 0.42 H new ATOM 0 HB2 TYR A 119 2.516 8.249 0.179 1.00 0.57 H new ATOM 0 HB3 TYR A 119 2.114 7.478 1.700 1.00 0.57 H new ATOM 0 HD1 TYR A 119 0.591 5.381 1.581 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.644 6.984 -1.773 1.00 0.92 H new ATOM 0 HE1 TYR A 119 0.410 3.215 0.443 1.00 1.88 H new ATOM 0 HE2 TYR A 119 2.480 4.827 -2.902 1.00 1.74 H new ATOM 0 HH TYR A 119 1.528 2.795 -2.887 1.00 3.04 H new ATOM 1696 N GLU A 120 1.029 10.667 1.269 1.00 0.40 N ATOM 1697 CA GLU A 120 0.965 11.853 2.084 1.00 0.42 C ATOM 1698 C GLU A 120 -0.462 12.076 2.453 1.00 0.37 C ATOM 1699 O GLU A 120 -0.766 12.465 3.573 1.00 0.43 O ATOM 1700 CB GLU A 120 1.512 13.064 1.348 1.00 0.50 C ATOM 1701 CG GLU A 120 2.994 13.246 1.541 1.00 0.76 C ATOM 1702 CD GLU A 120 3.357 13.564 2.977 1.00 1.58 C ATOM 1703 OE1 GLU A 120 3.565 12.618 3.766 1.00 2.44 O ATOM 1704 OE2 GLU A 120 3.421 14.763 3.323 1.00 1.93 O ATOM 0 H GLU A 120 1.453 10.799 0.351 1.00 0.40 H new ATOM 0 HA GLU A 120 1.578 11.716 2.975 1.00 0.42 H new ATOM 0 HB2 GLU A 120 1.299 12.963 0.284 1.00 0.50 H new ATOM 0 HB3 GLU A 120 0.993 13.958 1.694 1.00 0.50 H new ATOM 0 HG2 GLU A 120 3.512 12.338 1.231 1.00 0.76 H new ATOM 0 HG3 GLU A 120 3.345 14.050 0.894 1.00 0.76 H new ATOM 1711 N TYR A 121 -1.348 11.765 1.519 1.00 0.29 N ATOM 1712 CA TYR A 121 -2.759 11.840 1.830 1.00 0.28 C ATOM 1713 C TYR A 121 -3.148 10.734 2.808 1.00 0.27 C ATOM 1714 O TYR A 121 -4.017 10.918 3.651 1.00 0.29 O ATOM 1715 CB TYR A 121 -3.624 11.768 0.567 1.00 0.28 C ATOM 1716 CG TYR A 121 -5.086 11.594 0.866 1.00 0.30 C ATOM 1717 CD1 TYR A 121 -5.878 12.688 1.155 1.00 0.39 C ATOM 1718 CD2 TYR A 121 -5.677 10.341 0.832 1.00 0.33 C ATOM 1719 CE1 TYR A 121 -7.220 12.544 1.407 1.00 0.46 C ATOM 1720 CE2 TYR A 121 -7.024 10.188 1.077 1.00 0.41 C ATOM 1721 CZ TYR A 121 -7.766 11.251 1.472 1.00 0.46 C ATOM 1722 OH TYR A 121 -9.137 11.153 1.602 1.00 0.56 O ATOM 0 H TYR A 121 -1.122 11.468 0.570 1.00 0.29 H new ATOM 0 HA TYR A 121 -2.942 12.807 2.298 1.00 0.28 H new ATOM 0 HB2 TYR A 121 -3.484 12.679 -0.015 1.00 0.28 H new ATOM 0 HB3 TYR A 121 -3.284 10.938 -0.053 1.00 0.28 H new ATOM 0 HD1 TYR A 121 -5.435 13.672 1.183 1.00 0.39 H new ATOM 0 HD2 TYR A 121 -5.074 9.473 0.611 1.00 0.33 H new ATOM 0 HE1 TYR A 121 -7.846 13.412 1.553 1.00 0.46 H new ATOM 0 HE2 TYR A 121 -7.489 9.221 0.954 1.00 0.41 H new ATOM 0 HH TYR A 121 -9.396 10.208 1.635 1.00 0.56 H new ATOM 1732 N MET A 122 -2.476 9.602 2.716 1.00 0.27 N ATOM 1733 CA MET A 122 -2.886 8.417 3.456 1.00 0.29 C ATOM 1734 C MET A 122 -2.499 8.521 4.917 1.00 0.33 C ATOM 1735 O MET A 122 -3.347 8.396 5.801 1.00 0.35 O ATOM 1736 CB MET A 122 -2.312 7.144 2.847 1.00 0.33 C ATOM 1737 CG MET A 122 -3.389 6.126 2.555 1.00 0.71 C ATOM 1738 SD MET A 122 -2.973 5.055 1.179 1.00 0.56 S ATOM 1739 CE MET A 122 -3.134 6.244 -0.136 1.00 0.55 C ATOM 0 H MET A 122 -1.645 9.475 2.138 1.00 0.27 H new ATOM 0 HA MET A 122 -3.973 8.361 3.389 1.00 0.29 H new ATOM 0 HB2 MET A 122 -1.784 7.388 1.926 1.00 0.33 H new ATOM 0 HB3 MET A 122 -1.580 6.713 3.530 1.00 0.33 H new ATOM 0 HG2 MET A 122 -3.560 5.519 3.444 1.00 0.71 H new ATOM 0 HG3 MET A 122 -4.323 6.644 2.338 1.00 0.71 H new ATOM 0 HE1 MET A 122 -3.910 5.918 -0.828 1.00 0.55 H new ATOM 0 HE2 MET A 122 -3.404 7.214 0.282 1.00 0.55 H new ATOM 0 HE3 MET A 122 -2.186 6.329 -0.668 1.00 0.55 H new ATOM 1749 N LYS A 123 -1.215 8.755 5.172 1.00 0.37 N ATOM 1750 CA LYS A 123 -0.742 8.896 6.538 1.00 0.45 C ATOM 1751 C LYS A 123 -1.263 10.182 7.152 1.00 0.47 C ATOM 1752 O LYS A 123 -1.360 10.286 8.374 1.00 0.54 O ATOM 1753 CB LYS A 123 0.789 8.803 6.674 1.00 0.53 C ATOM 1754 CG LYS A 123 1.573 9.146 5.426 1.00 0.48 C ATOM 1755 CD LYS A 123 3.023 9.486 5.740 1.00 1.00 C ATOM 1756 CE LYS A 123 3.143 10.689 6.668 1.00 1.05 C ATOM 1757 NZ LYS A 123 2.608 11.937 6.058 1.00 1.46 N ATOM 0 H LYS A 123 -0.494 8.850 4.457 1.00 0.37 H new ATOM 0 HA LYS A 123 -1.143 8.046 7.090 1.00 0.45 H new ATOM 0 HB2 LYS A 123 1.107 9.469 7.477 1.00 0.53 H new ATOM 0 HB3 LYS A 123 1.049 7.789 6.979 1.00 0.53 H new ATOM 0 HG2 LYS A 123 1.539 8.305 4.734 1.00 0.48 H new ATOM 0 HG3 LYS A 123 1.103 9.991 4.923 1.00 0.48 H new ATOM 0 HD2 LYS A 123 3.505 8.624 6.201 1.00 1.00 H new ATOM 0 HD3 LYS A 123 3.556 9.691 4.811 1.00 1.00 H new ATOM 0 HE2 LYS A 123 2.607 10.483 7.595 1.00 1.05 H new ATOM 0 HE3 LYS A 123 4.190 10.837 6.931 1.00 1.05 H new ATOM 0 HZ1 LYS A 123 3.002 12.762 6.553 1.00 1.46 H new ATOM 0 HZ2 LYS A 123 2.876 11.975 5.054 1.00 1.46 H new ATOM 0 HZ3 LYS A 123 1.571 11.947 6.140 1.00 1.46 H new ATOM 1771 N LYS A 124 -1.586 11.177 6.322 1.00 0.43 N ATOM 1772 CA LYS A 124 -2.188 12.385 6.858 1.00 0.50 C ATOM 1773 C LYS A 124 -3.625 12.100 7.278 1.00 0.49 C ATOM 1774 O LYS A 124 -4.156 12.733 8.190 1.00 0.57 O ATOM 1775 CB LYS A 124 -2.141 13.570 5.887 1.00 0.56 C ATOM 1776 CG LYS A 124 -3.320 13.645 4.940 1.00 0.59 C ATOM 1777 CD LYS A 124 -3.361 14.968 4.203 1.00 0.97 C ATOM 1778 CE LYS A 124 -4.595 15.064 3.330 1.00 1.41 C ATOM 1779 NZ LYS A 124 -5.848 14.924 4.122 1.00 1.99 N ATOM 0 H LYS A 124 -1.445 11.168 5.312 1.00 0.43 H new ATOM 0 HA LYS A 124 -1.595 12.678 7.724 1.00 0.50 H new ATOM 0 HB2 LYS A 124 -2.092 14.495 6.462 1.00 0.56 H new ATOM 0 HB3 LYS A 124 -1.223 13.510 5.302 1.00 0.56 H new ATOM 0 HG2 LYS A 124 -3.261 12.829 4.220 1.00 0.59 H new ATOM 0 HG3 LYS A 124 -4.246 13.511 5.500 1.00 0.59 H new ATOM 0 HD2 LYS A 124 -3.354 15.789 4.920 1.00 0.97 H new ATOM 0 HD3 LYS A 124 -2.467 15.074 3.588 1.00 0.97 H new ATOM 0 HE2 LYS A 124 -4.599 16.023 2.811 1.00 1.41 H new ATOM 0 HE3 LYS A 124 -4.560 14.288 2.566 1.00 1.41 H new ATOM 0 HZ1 LYS A 124 -6.647 15.306 3.577 1.00 1.99 H new ATOM 0 HZ2 LYS A 124 -6.018 13.919 4.328 1.00 1.99 H new ATOM 0 HZ3 LYS A 124 -5.755 15.450 5.015 1.00 1.99 H new ATOM 1793 N THR A 125 -4.248 11.136 6.606 1.00 0.42 N ATOM 1794 CA THR A 125 -5.611 10.743 6.938 1.00 0.44 C ATOM 1795 C THR A 125 -5.642 9.882 8.199 1.00 0.44 C ATOM 1796 O THR A 125 -6.306 10.230 9.180 1.00 0.56 O ATOM 1797 CB THR A 125 -6.304 9.993 5.783 1.00 0.49 C ATOM 1798 OG1 THR A 125 -6.375 10.839 4.629 1.00 0.57 O ATOM 1799 CG2 THR A 125 -7.710 9.564 6.178 1.00 0.59 C ATOM 0 H THR A 125 -3.832 10.616 5.833 1.00 0.42 H new ATOM 0 HA THR A 125 -6.162 11.666 7.117 1.00 0.44 H new ATOM 0 HB THR A 125 -5.718 9.103 5.556 1.00 0.49 H new ATOM 0 HG1 THR A 125 -5.477 11.162 4.405 1.00 0.57 H new ATOM 0 HG21 THR A 125 -8.177 9.037 5.346 1.00 0.59 H new ATOM 0 HG22 THR A 125 -7.659 8.903 7.043 1.00 0.59 H new ATOM 0 HG23 THR A 125 -8.302 10.444 6.428 1.00 0.59 H new ATOM 1807 N LYS A 126 -4.913 8.769 8.189 1.00 0.44 N ATOM 1808 CA LYS A 126 -4.919 7.870 9.330 1.00 0.54 C ATOM 1809 C LYS A 126 -3.547 7.257 9.581 1.00 0.57 C ATOM 1810 O LYS A 126 -2.919 6.700 8.677 1.00 0.68 O ATOM 1811 CB LYS A 126 -5.960 6.761 9.147 1.00 0.78 C ATOM 1812 CG LYS A 126 -6.325 6.082 10.458 1.00 1.26 C ATOM 1813 CD LYS A 126 -7.344 4.969 10.282 1.00 0.92 C ATOM 1814 CE LYS A 126 -7.939 4.590 11.627 1.00 1.27 C ATOM 1815 NZ LYS A 126 -8.863 3.430 11.567 1.00 1.85 N ATOM 0 H LYS A 126 -4.320 8.474 7.413 1.00 0.44 H new ATOM 0 HA LYS A 126 -5.184 8.468 10.202 1.00 0.54 H new ATOM 0 HB2 LYS A 126 -6.859 7.182 8.697 1.00 0.78 H new ATOM 0 HB3 LYS A 126 -5.574 6.016 8.451 1.00 0.78 H new ATOM 0 HG2 LYS A 126 -5.423 5.674 10.914 1.00 1.26 H new ATOM 0 HG3 LYS A 126 -6.722 6.826 11.149 1.00 1.26 H new ATOM 0 HD2 LYS A 126 -8.134 5.292 9.604 1.00 0.92 H new ATOM 0 HD3 LYS A 126 -6.870 4.099 9.827 1.00 0.92 H new ATOM 0 HE2 LYS A 126 -7.130 4.363 12.321 1.00 1.27 H new ATOM 0 HE3 LYS A 126 -8.474 5.449 12.032 1.00 1.27 H new ATOM 0 HZ1 LYS A 126 -9.615 3.548 12.275 1.00 1.85 H new ATOM 0 HZ2 LYS A 126 -9.286 3.372 10.619 1.00 1.85 H new ATOM 0 HZ3 LYS A 126 -8.336 2.556 11.765 1.00 1.85 H new ATOM 1829 N PRO A 127 -3.067 7.356 10.831 1.00 0.77 N ATOM 1830 CA PRO A 127 -1.843 6.694 11.273 1.00 1.04 C ATOM 1831 C PRO A 127 -2.062 5.201 11.520 1.00 1.27 C ATOM 1832 O PRO A 127 -1.201 4.514 12.068 1.00 1.69 O ATOM 1833 CB PRO A 127 -1.482 7.409 12.584 1.00 1.28 C ATOM 1834 CG PRO A 127 -2.456 8.536 12.719 1.00 1.22 C ATOM 1835 CD PRO A 127 -3.658 8.150 11.912 1.00 0.95 C ATOM 0 HA PRO A 127 -1.056 6.755 10.522 1.00 1.04 H new ATOM 0 HB2 PRO A 127 -1.553 6.728 13.432 1.00 1.28 H new ATOM 0 HB3 PRO A 127 -0.457 7.780 12.557 1.00 1.28 H new ATOM 0 HG2 PRO A 127 -2.724 8.696 13.763 1.00 1.22 H new ATOM 0 HG3 PRO A 127 -2.025 9.468 12.354 1.00 1.22 H new ATOM 0 HD2 PRO A 127 -4.372 7.571 12.498 1.00 0.95 H new ATOM 0 HD3 PRO A 127 -4.190 9.022 11.532 1.00 0.95 H new ATOM 1843 N GLY A 128 -3.216 4.702 11.100 1.00 1.55 N ATOM 1844 CA GLY A 128 -3.513 3.297 11.247 1.00 1.96 C ATOM 1845 C GLY A 128 -4.070 2.972 12.612 1.00 2.13 C ATOM 1846 O GLY A 128 -4.955 3.667 13.107 1.00 2.59 O ATOM 0 H GLY A 128 -3.954 5.251 10.658 1.00 1.55 H new ATOM 0 HA2 GLY A 128 -4.230 2.997 10.483 1.00 1.96 H new ATOM 0 HA3 GLY A 128 -2.606 2.716 11.079 1.00 1.96 H new ATOM 1850 N ILE A 129 -3.542 1.922 13.218 1.00 2.17 N ATOM 1851 CA ILE A 129 -3.989 1.490 14.534 1.00 2.46 C ATOM 1852 C ILE A 129 -3.146 2.128 15.634 1.00 2.36 C ATOM 1853 O ILE A 129 -3.473 2.034 16.818 1.00 2.70 O ATOM 1854 CB ILE A 129 -3.925 -0.044 14.669 1.00 2.91 C ATOM 1855 CG1 ILE A 129 -2.513 -0.550 14.345 1.00 3.06 C ATOM 1856 CG2 ILE A 129 -4.960 -0.698 13.761 1.00 3.44 C ATOM 1857 CD1 ILE A 129 -2.365 -2.051 14.449 1.00 3.58 C ATOM 0 H ILE A 129 -2.799 1.349 12.818 1.00 2.17 H new ATOM 0 HA ILE A 129 -5.025 1.812 14.644 1.00 2.46 H new ATOM 0 HB ILE A 129 -4.155 -0.316 15.699 1.00 2.91 H new ATOM 0 HG12 ILE A 129 -2.248 -0.237 13.335 1.00 3.06 H new ATOM 0 HG13 ILE A 129 -1.803 -0.076 15.023 1.00 3.06 H new ATOM 0 HG21 ILE A 129 -4.904 -1.781 13.866 1.00 3.44 H new ATOM 0 HG22 ILE A 129 -5.957 -0.357 14.041 1.00 3.44 H new ATOM 0 HG23 ILE A 129 -4.761 -0.423 12.725 1.00 3.44 H new ATOM 0 HD11 ILE A 129 -1.341 -2.333 14.206 1.00 3.58 H new ATOM 0 HD12 ILE A 129 -2.598 -2.370 15.465 1.00 3.58 H new ATOM 0 HD13 ILE A 129 -3.050 -2.533 13.751 1.00 3.58 H new ATOM 1869 N LEU A 130 -2.061 2.776 15.230 1.00 2.12 N ATOM 1870 CA LEU A 130 -1.172 3.442 16.166 1.00 2.29 C ATOM 1871 C LEU A 130 -0.863 4.849 15.670 1.00 2.20 C ATOM 1872 O LEU A 130 -0.214 5.025 14.638 1.00 2.44 O ATOM 1873 CB LEU A 130 0.120 2.639 16.338 1.00 2.58 C ATOM 1874 CG LEU A 130 1.122 3.211 17.346 1.00 2.89 C ATOM 1875 CD1 LEU A 130 0.492 3.350 18.724 1.00 3.36 C ATOM 1876 CD2 LEU A 130 2.355 2.327 17.413 1.00 3.47 C ATOM 0 H LEU A 130 -1.776 2.853 14.254 1.00 2.12 H new ATOM 0 HA LEU A 130 -1.664 3.509 17.136 1.00 2.29 H new ATOM 0 HB2 LEU A 130 -0.140 1.626 16.645 1.00 2.58 H new ATOM 0 HB3 LEU A 130 0.611 2.561 15.368 1.00 2.58 H new ATOM 0 HG LEU A 130 1.417 4.205 17.010 1.00 2.89 H new ATOM 0 HD11 LEU A 130 1.225 3.758 19.420 1.00 3.36 H new ATOM 0 HD12 LEU A 130 -0.366 4.020 18.666 1.00 3.36 H new ATOM 0 HD13 LEU A 130 0.165 2.371 19.075 1.00 3.36 H new ATOM 0 HD21 LEU A 130 3.061 2.742 18.132 1.00 3.47 H new ATOM 0 HD22 LEU A 130 2.067 1.323 17.725 1.00 3.47 H new ATOM 0 HD23 LEU A 130 2.823 2.281 16.430 1.00 3.47 H new ATOM 1888 N ALA A 131 -1.330 5.841 16.412 1.00 2.45 N ATOM 1889 CA ALA A 131 -1.211 7.233 16.003 1.00 2.67 C ATOM 1890 C ALA A 131 0.200 7.756 16.220 1.00 2.55 C ATOM 1891 O ALA A 131 0.444 8.590 17.093 1.00 3.21 O ATOM 1892 CB ALA A 131 -2.218 8.093 16.748 1.00 3.28 C ATOM 0 H ALA A 131 -1.799 5.707 17.308 1.00 2.45 H new ATOM 0 HA ALA A 131 -1.425 7.287 14.936 1.00 2.67 H new ATOM 0 HB1 ALA A 131 -2.116 9.131 16.431 1.00 3.28 H new ATOM 0 HB2 ALA A 131 -3.227 7.744 16.529 1.00 3.28 H new ATOM 0 HB3 ALA A 131 -2.035 8.022 17.820 1.00 3.28 H new ATOM 1898 N THR A 132 1.127 7.252 15.424 1.00 2.02 N ATOM 1899 CA THR A 132 2.510 7.670 15.504 1.00 2.10 C ATOM 1900 C THR A 132 2.860 8.648 14.382 1.00 1.56 C ATOM 1901 O THR A 132 2.994 9.847 14.623 1.00 2.12 O ATOM 1902 CB THR A 132 3.452 6.459 15.451 1.00 2.73 C ATOM 1903 OG1 THR A 132 3.058 5.503 16.442 1.00 3.34 O ATOM 1904 CG2 THR A 132 4.887 6.883 15.701 1.00 3.56 C ATOM 0 H THR A 132 0.942 6.547 14.710 1.00 2.02 H new ATOM 0 HA THR A 132 2.641 8.178 16.459 1.00 2.10 H new ATOM 0 HB THR A 132 3.388 6.013 14.459 1.00 2.73 H new ATOM 0 HG1 THR A 132 3.286 4.601 16.135 1.00 3.34 H new ATOM 0 HG21 THR A 132 5.537 6.009 15.659 1.00 3.56 H new ATOM 0 HG22 THR A 132 5.193 7.600 14.939 1.00 3.56 H new ATOM 0 HG23 THR A 132 4.964 7.345 16.685 1.00 3.56 H new ATOM 1912 N LYS A 133 3.001 8.142 13.158 1.00 1.29 N ATOM 1913 CA LYS A 133 3.373 8.990 12.030 1.00 1.47 C ATOM 1914 C LYS A 133 3.104 8.282 10.702 1.00 1.14 C ATOM 1915 O LYS A 133 1.966 8.223 10.234 1.00 1.58 O ATOM 1916 CB LYS A 133 4.853 9.381 12.128 1.00 2.24 C ATOM 1917 CG LYS A 133 5.258 10.539 11.231 1.00 3.04 C ATOM 1918 CD LYS A 133 4.523 11.817 11.602 1.00 3.81 C ATOM 1919 CE LYS A 133 5.167 13.034 10.959 1.00 4.63 C ATOM 1920 NZ LYS A 133 6.549 13.256 11.463 1.00 5.17 N ATOM 0 H LYS A 133 2.865 7.159 12.924 1.00 1.29 H new ATOM 0 HA LYS A 133 2.763 9.892 12.066 1.00 1.47 H new ATOM 0 HB2 LYS A 133 5.079 9.642 13.162 1.00 2.24 H new ATOM 0 HB3 LYS A 133 5.463 8.513 11.877 1.00 2.24 H new ATOM 0 HG2 LYS A 133 6.333 10.701 11.308 1.00 3.04 H new ATOM 0 HG3 LYS A 133 5.048 10.286 10.192 1.00 3.04 H new ATOM 0 HD2 LYS A 133 3.482 11.745 11.286 1.00 3.81 H new ATOM 0 HD3 LYS A 133 4.520 11.935 12.686 1.00 3.81 H new ATOM 0 HE2 LYS A 133 5.191 12.904 9.877 1.00 4.63 H new ATOM 0 HE3 LYS A 133 4.560 13.916 11.161 1.00 4.63 H new ATOM 0 HZ1 LYS A 133 6.641 14.234 11.806 1.00 5.17 H new ATOM 0 HZ2 LYS A 133 6.745 12.596 12.242 1.00 5.17 H new ATOM 0 HZ3 LYS A 133 7.229 13.094 10.693 1.00 5.17 H new ATOM 1934 N ALA A 134 4.148 7.708 10.119 1.00 0.92 N ATOM 1935 CA ALA A 134 4.040 7.075 8.817 1.00 0.77 C ATOM 1936 C ALA A 134 3.932 5.567 8.962 1.00 0.81 C ATOM 1937 O ALA A 134 3.976 5.058 10.081 1.00 1.59 O ATOM 1938 CB ALA A 134 5.233 7.448 7.949 1.00 1.02 C ATOM 0 H ALA A 134 5.080 7.669 10.531 1.00 0.92 H new ATOM 0 HA ALA A 134 3.133 7.434 8.331 1.00 0.77 H new ATOM 0 HB1 ALA A 134 5.139 6.967 6.976 1.00 1.02 H new ATOM 0 HB2 ALA A 134 5.263 8.530 7.818 1.00 1.02 H new ATOM 0 HB3 ALA A 134 6.152 7.115 8.431 1.00 1.02 H new ATOM 1944 N ILE A 135 3.769 4.873 7.833 1.00 0.69 N ATOM 1945 CA ILE A 135 3.679 3.409 7.796 1.00 0.74 C ATOM 1946 C ILE A 135 4.722 2.754 8.725 1.00 1.09 C ATOM 1947 O ILE A 135 4.408 1.805 9.436 1.00 2.00 O ATOM 1948 CB ILE A 135 3.819 2.849 6.358 1.00 0.86 C ATOM 1949 CG1 ILE A 135 4.954 3.496 5.536 1.00 0.88 C ATOM 1950 CG2 ILE A 135 2.496 2.996 5.638 1.00 1.54 C ATOM 1951 CD1 ILE A 135 4.727 4.945 5.130 1.00 0.89 C ATOM 0 H ILE A 135 3.695 5.311 6.915 1.00 0.69 H new ATOM 0 HA ILE A 135 2.683 3.154 8.158 1.00 0.74 H new ATOM 0 HB ILE A 135 4.093 1.798 6.454 1.00 0.86 H new ATOM 0 HG12 ILE A 135 5.876 3.440 6.115 1.00 0.88 H new ATOM 0 HG13 ILE A 135 5.108 2.904 4.634 1.00 0.88 H new ATOM 0 HG21 ILE A 135 2.587 2.604 4.625 1.00 1.54 H new ATOM 0 HG22 ILE A 135 1.726 2.441 6.174 1.00 1.54 H new ATOM 0 HG23 ILE A 135 2.220 4.050 5.596 1.00 1.54 H new ATOM 0 HD11 ILE A 135 5.584 5.301 4.558 1.00 0.89 H new ATOM 0 HD12 ILE A 135 3.827 5.015 4.518 1.00 0.89 H new ATOM 0 HD13 ILE A 135 4.607 5.559 6.023 1.00 0.89 H new ATOM 1963 N LYS A 136 5.957 3.293 8.703 1.00 0.85 N ATOM 1964 CA LYS A 136 7.020 2.965 9.681 1.00 1.14 C ATOM 1965 C LYS A 136 7.626 1.573 9.459 1.00 0.75 C ATOM 1966 O LYS A 136 8.641 1.223 10.067 1.00 0.78 O ATOM 1967 CB LYS A 136 6.489 3.074 11.118 1.00 1.71 C ATOM 1968 CG LYS A 136 7.574 3.212 12.178 1.00 2.72 C ATOM 1969 CD LYS A 136 6.978 3.245 13.578 1.00 3.21 C ATOM 1970 CE LYS A 136 8.052 3.306 14.649 1.00 4.09 C ATOM 1971 NZ LYS A 136 7.477 3.226 16.021 1.00 4.81 N ATOM 0 H LYS A 136 6.250 3.974 8.002 1.00 0.85 H new ATOM 0 HA LYS A 136 7.814 3.695 9.526 1.00 1.14 H new ATOM 0 HB2 LYS A 136 5.823 3.934 11.182 1.00 1.71 H new ATOM 0 HB3 LYS A 136 5.891 2.190 11.340 1.00 1.71 H new ATOM 0 HG2 LYS A 136 8.272 2.379 12.097 1.00 2.72 H new ATOM 0 HG3 LYS A 136 8.144 4.124 12.001 1.00 2.72 H new ATOM 0 HD2 LYS A 136 6.321 4.110 13.673 1.00 3.21 H new ATOM 0 HD3 LYS A 136 6.362 2.359 13.731 1.00 3.21 H new ATOM 0 HE2 LYS A 136 8.757 2.487 14.503 1.00 4.09 H new ATOM 0 HE3 LYS A 136 8.615 4.234 14.545 1.00 4.09 H new ATOM 0 HZ1 LYS A 136 8.244 3.271 16.722 1.00 4.81 H new ATOM 0 HZ2 LYS A 136 6.824 4.021 16.171 1.00 4.81 H new ATOM 0 HZ3 LYS A 136 6.961 2.329 16.129 1.00 4.81 H new ATOM 1985 N TRP A 137 7.019 0.796 8.585 1.00 0.69 N ATOM 1986 CA TRP A 137 7.438 -0.576 8.348 1.00 0.45 C ATOM 1987 C TRP A 137 7.531 -0.880 6.860 1.00 0.43 C ATOM 1988 O TRP A 137 7.283 -0.018 6.023 1.00 0.55 O ATOM 1989 CB TRP A 137 6.463 -1.577 8.990 1.00 0.42 C ATOM 1990 CG TRP A 137 6.696 -1.856 10.436 1.00 0.62 C ATOM 1991 CD1 TRP A 137 7.396 -2.900 10.963 1.00 0.93 C ATOM 1992 CD2 TRP A 137 6.185 -1.112 11.541 1.00 1.00 C ATOM 1993 NE1 TRP A 137 7.399 -2.812 12.331 1.00 1.11 N ATOM 1994 CE2 TRP A 137 6.655 -1.730 12.709 1.00 1.16 C ATOM 1995 CE3 TRP A 137 5.393 0.025 11.656 1.00 1.47 C ATOM 1996 CZ2 TRP A 137 6.353 -1.249 13.974 1.00 1.59 C ATOM 1997 CZ3 TRP A 137 5.091 0.503 12.910 1.00 1.97 C ATOM 1998 CH2 TRP A 137 5.572 -0.133 14.058 1.00 1.97 C ATOM 0 H TRP A 137 6.224 1.094 8.019 1.00 0.69 H new ATOM 0 HA TRP A 137 8.423 -0.682 8.803 1.00 0.45 H new ATOM 0 HB2 TRP A 137 5.448 -1.199 8.869 1.00 0.42 H new ATOM 0 HB3 TRP A 137 6.520 -2.517 8.442 1.00 0.42 H new ATOM 0 HD1 TRP A 137 7.876 -3.679 10.389 1.00 0.93 H new ATOM 0 HE1 TRP A 137 7.879 -3.451 12.965 1.00 1.11 H new ATOM 0 HE3 TRP A 137 5.021 0.525 10.774 1.00 1.47 H new ATOM 0 HZ2 TRP A 137 6.723 -1.740 14.862 1.00 1.59 H new ATOM 0 HZ3 TRP A 137 4.473 1.383 13.009 1.00 1.97 H new ATOM 0 HH2 TRP A 137 5.321 0.266 15.030 1.00 1.97 H new ATOM 2009 N ASN A 138 8.006 -2.088 6.586 1.00 0.37 N ATOM 2010 CA ASN A 138 7.786 -2.837 5.333 1.00 0.38 C ATOM 2011 C ASN A 138 6.336 -2.651 4.803 1.00 0.31 C ATOM 2012 O ASN A 138 5.709 -1.641 5.047 1.00 0.30 O ATOM 2013 CB ASN A 138 8.092 -4.317 5.604 1.00 0.41 C ATOM 2014 CG ASN A 138 8.432 -5.109 4.354 1.00 1.06 C ATOM 2015 OD1 ASN A 138 7.558 -5.703 3.732 1.00 2.04 O ATOM 2016 ND2 ASN A 138 9.705 -5.136 3.991 1.00 1.40 N ATOM 0 H ASN A 138 8.581 -2.604 7.252 1.00 0.37 H new ATOM 0 HA ASN A 138 8.449 -2.455 4.557 1.00 0.38 H new ATOM 0 HB2 ASN A 138 8.925 -4.384 6.304 1.00 0.41 H new ATOM 0 HB3 ASN A 138 7.230 -4.774 6.090 1.00 0.41 H new ATOM 0 HD21 ASN A 138 9.989 -5.665 3.166 1.00 1.40 H new ATOM 0 HD22 ASN A 138 10.402 -4.628 4.536 1.00 1.40 H new ATOM 2023 N PHE A 139 5.828 -3.633 4.054 1.00 0.34 N ATOM 2024 CA PHE A 139 4.562 -3.539 3.289 1.00 0.36 C ATOM 2025 C PHE A 139 3.529 -2.523 3.834 1.00 0.32 C ATOM 2026 O PHE A 139 3.067 -1.714 3.052 1.00 0.57 O ATOM 2027 CB PHE A 139 3.918 -4.922 3.332 1.00 0.55 C ATOM 2028 CG PHE A 139 4.137 -5.777 2.122 1.00 0.55 C ATOM 2029 CD1 PHE A 139 5.426 -6.053 1.720 1.00 0.61 C ATOM 2030 CD2 PHE A 139 3.080 -6.250 1.357 1.00 1.23 C ATOM 2031 CE1 PHE A 139 5.669 -6.795 0.588 1.00 1.22 C ATOM 2032 CE2 PHE A 139 3.319 -6.984 0.214 1.00 1.93 C ATOM 2033 CZ PHE A 139 4.469 -7.453 -0.057 1.00 1.89 C ATOM 0 H PHE A 139 6.288 -4.538 3.954 1.00 0.34 H new ATOM 0 HA PHE A 139 4.824 -3.190 2.290 1.00 0.36 H new ATOM 0 HB2 PHE A 139 4.299 -5.453 4.204 1.00 0.55 H new ATOM 0 HB3 PHE A 139 2.845 -4.799 3.478 1.00 0.55 H new ATOM 0 HD1 PHE A 139 6.257 -5.682 2.302 1.00 0.61 H new ATOM 0 HD2 PHE A 139 2.064 -6.042 1.659 1.00 1.23 H new ATOM 0 HE1 PHE A 139 6.664 -6.902 0.181 1.00 1.22 H new ATOM 0 HE2 PHE A 139 2.504 -7.166 -0.471 1.00 1.93 H new ATOM 0 HZ PHE A 139 4.586 -8.293 -0.725 1.00 1.89 H new ATOM 2043 N THR A 140 3.170 -2.579 5.133 1.00 0.25 N ATOM 2044 CA THR A 140 2.278 -1.604 5.792 1.00 0.25 C ATOM 2045 C THR A 140 1.197 -1.022 4.883 1.00 0.22 C ATOM 2046 O THR A 140 1.428 -0.127 4.064 1.00 0.29 O ATOM 2047 CB THR A 140 3.060 -0.462 6.454 1.00 0.37 C ATOM 2048 OG1 THR A 140 4.266 -0.968 7.021 1.00 0.48 O ATOM 2049 CG2 THR A 140 2.228 0.174 7.553 1.00 0.60 C ATOM 0 H THR A 140 3.496 -3.313 5.762 1.00 0.25 H new ATOM 0 HA THR A 140 1.768 -2.188 6.558 1.00 0.25 H new ATOM 0 HB THR A 140 3.293 0.286 5.696 1.00 0.37 H new ATOM 0 HG1 THR A 140 4.951 -1.040 6.323 1.00 0.48 H new ATOM 0 HG21 THR A 140 2.793 0.983 8.015 1.00 0.60 H new ATOM 0 HG22 THR A 140 1.307 0.572 7.128 1.00 0.60 H new ATOM 0 HG23 THR A 140 1.986 -0.576 8.306 1.00 0.60 H new ATOM 2057 N SER A 141 0.000 -1.487 5.114 1.00 0.19 N ATOM 2058 CA SER A 141 -1.118 -1.232 4.228 1.00 0.20 C ATOM 2059 C SER A 141 -1.894 -0.004 4.657 1.00 0.22 C ATOM 2060 O SER A 141 -1.613 0.561 5.686 1.00 0.39 O ATOM 2061 CB SER A 141 -2.037 -2.421 4.277 1.00 0.26 C ATOM 2062 OG SER A 141 -1.304 -3.628 4.273 1.00 0.62 O ATOM 0 H SER A 141 -0.236 -2.058 5.926 1.00 0.19 H new ATOM 0 HA SER A 141 -0.736 -1.063 3.221 1.00 0.20 H new ATOM 0 HB2 SER A 141 -2.656 -2.370 5.173 1.00 0.26 H new ATOM 0 HB3 SER A 141 -2.712 -2.399 3.422 1.00 0.26 H new ATOM 0 HG SER A 141 -1.310 -4.011 3.371 1.00 0.62 H new ATOM 2068 N PHE A 142 -2.864 0.400 3.857 1.00 0.19 N ATOM 2069 CA PHE A 142 -3.878 1.344 4.277 1.00 0.18 C ATOM 2070 C PHE A 142 -5.168 0.837 3.720 1.00 0.18 C ATOM 2071 O PHE A 142 -5.281 0.629 2.525 1.00 0.21 O ATOM 2072 CB PHE A 142 -3.621 2.748 3.727 1.00 0.22 C ATOM 2073 CG PHE A 142 -2.549 3.542 4.423 1.00 0.26 C ATOM 2074 CD1 PHE A 142 -2.872 4.356 5.498 1.00 0.35 C ATOM 2075 CD2 PHE A 142 -1.236 3.519 3.979 1.00 0.42 C ATOM 2076 CE1 PHE A 142 -1.911 5.131 6.111 1.00 0.50 C ATOM 2077 CE2 PHE A 142 -0.271 4.286 4.596 1.00 0.55 C ATOM 2078 CZ PHE A 142 -0.608 5.093 5.661 1.00 0.57 C ATOM 0 H PHE A 142 -2.969 0.080 2.894 1.00 0.19 H new ATOM 0 HA PHE A 142 -3.883 1.422 5.364 1.00 0.18 H new ATOM 0 HB2 PHE A 142 -3.355 2.661 2.673 1.00 0.22 H new ATOM 0 HB3 PHE A 142 -4.553 3.312 3.775 1.00 0.22 H new ATOM 0 HD1 PHE A 142 -3.889 4.383 5.860 1.00 0.35 H new ATOM 0 HD2 PHE A 142 -0.966 2.894 3.141 1.00 0.42 H new ATOM 0 HE1 PHE A 142 -2.178 5.767 6.942 1.00 0.50 H new ATOM 0 HE2 PHE A 142 0.750 4.254 4.245 1.00 0.55 H new ATOM 0 HZ PHE A 142 0.148 5.695 6.143 1.00 0.57 H new ATOM 2088 N LEU A 143 -6.134 0.605 4.552 1.00 0.17 N ATOM 2089 CA LEU A 143 -7.365 0.102 4.037 1.00 0.16 C ATOM 2090 C LEU A 143 -8.136 1.240 3.460 1.00 0.15 C ATOM 2091 O LEU A 143 -8.699 2.065 4.162 1.00 0.18 O ATOM 2092 CB LEU A 143 -8.157 -0.609 5.103 1.00 0.21 C ATOM 2093 CG LEU A 143 -9.658 -0.666 4.849 1.00 0.23 C ATOM 2094 CD1 LEU A 143 -10.020 -1.812 3.921 1.00 0.41 C ATOM 2095 CD2 LEU A 143 -10.420 -0.757 6.157 1.00 0.43 C ATOM 0 H LEU A 143 -6.098 0.751 5.561 1.00 0.17 H new ATOM 0 HA LEU A 143 -7.160 -0.633 3.259 1.00 0.16 H new ATOM 0 HB2 LEU A 143 -7.780 -1.627 5.199 1.00 0.21 H new ATOM 0 HB3 LEU A 143 -7.982 -0.113 6.058 1.00 0.21 H new ATOM 0 HG LEU A 143 -9.949 0.259 4.351 1.00 0.23 H new ATOM 0 HD11 LEU A 143 -11.098 -1.824 3.761 1.00 0.41 H new ATOM 0 HD12 LEU A 143 -9.513 -1.680 2.965 1.00 0.41 H new ATOM 0 HD13 LEU A 143 -9.709 -2.756 4.370 1.00 0.41 H new ATOM 0 HD21 LEU A 143 -11.490 -0.797 5.953 1.00 0.43 H new ATOM 0 HD22 LEU A 143 -10.119 -1.658 6.692 1.00 0.43 H new ATOM 0 HD23 LEU A 143 -10.199 0.118 6.768 1.00 0.43 H new ATOM 2107 N ILE A 144 -8.117 1.277 2.168 1.00 0.14 N ATOM 2108 CA ILE A 144 -8.758 2.306 1.429 1.00 0.14 C ATOM 2109 C ILE A 144 -10.162 1.845 1.114 1.00 0.15 C ATOM 2110 O ILE A 144 -10.370 0.674 0.817 1.00 0.19 O ATOM 2111 CB ILE A 144 -7.978 2.564 0.140 1.00 0.15 C ATOM 2112 CG1 ILE A 144 -6.510 2.854 0.434 1.00 0.17 C ATOM 2113 CG2 ILE A 144 -8.606 3.690 -0.629 1.00 0.17 C ATOM 2114 CD1 ILE A 144 -6.285 3.978 1.398 1.00 0.19 C ATOM 0 H ILE A 144 -7.647 0.580 1.590 1.00 0.14 H new ATOM 0 HA ILE A 144 -8.793 3.233 2.001 1.00 0.14 H new ATOM 0 HB ILE A 144 -8.018 1.663 -0.472 1.00 0.15 H new ATOM 0 HG12 ILE A 144 -6.046 1.951 0.832 1.00 0.17 H new ATOM 0 HG13 ILE A 144 -6.003 3.087 -0.502 1.00 0.17 H new ATOM 0 HG21 ILE A 144 -8.042 3.864 -1.545 1.00 0.17 H new ATOM 0 HG22 ILE A 144 -9.634 3.430 -0.880 1.00 0.17 H new ATOM 0 HG23 ILE A 144 -8.599 4.594 -0.021 1.00 0.17 H new ATOM 0 HD11 ILE A 144 -5.215 4.117 1.551 1.00 0.19 H new ATOM 0 HD12 ILE A 144 -6.716 4.894 0.995 1.00 0.19 H new ATOM 0 HD13 ILE A 144 -6.760 3.741 2.350 1.00 0.19 H new ATOM 2126 N ASP A 145 -11.118 2.741 1.191 1.00 0.14 N ATOM 2127 CA ASP A 145 -12.520 2.325 1.125 1.00 0.15 C ATOM 2128 C ASP A 145 -13.066 2.421 -0.297 1.00 0.14 C ATOM 2129 O ASP A 145 -12.309 2.655 -1.236 1.00 0.15 O ATOM 2130 CB ASP A 145 -13.391 3.123 2.114 1.00 0.19 C ATOM 2131 CG ASP A 145 -14.152 4.272 1.474 1.00 0.58 C ATOM 2132 OD1 ASP A 145 -13.496 5.197 0.947 1.00 0.98 O ATOM 2133 OD2 ASP A 145 -15.389 4.278 1.533 1.00 0.75 O ATOM 0 H ASP A 145 -10.968 3.744 1.297 1.00 0.14 H new ATOM 0 HA ASP A 145 -12.562 1.277 1.421 1.00 0.15 H new ATOM 0 HB2 ASP A 145 -14.103 2.445 2.584 1.00 0.19 H new ATOM 0 HB3 ASP A 145 -12.755 3.518 2.907 1.00 0.19 H new ATOM 2138 N ARG A 146 -14.373 2.220 -0.448 1.00 0.17 N ATOM 2139 CA ARG A 146 -15.010 2.200 -1.759 1.00 0.17 C ATOM 2140 C ARG A 146 -14.731 3.487 -2.530 1.00 0.18 C ATOM 2141 O ARG A 146 -14.534 3.462 -3.741 1.00 0.22 O ATOM 2142 CB ARG A 146 -16.522 2.010 -1.623 1.00 0.19 C ATOM 2143 CG ARG A 146 -16.927 0.989 -0.577 1.00 0.24 C ATOM 2144 CD ARG A 146 -18.370 0.557 -0.770 1.00 0.29 C ATOM 2145 NE ARG A 146 -19.264 1.693 -0.983 1.00 1.00 N ATOM 2146 CZ ARG A 146 -20.448 1.601 -1.588 1.00 1.46 C ATOM 2147 NH1 ARG A 146 -20.938 0.412 -1.926 1.00 1.63 N ATOM 2148 NH2 ARG A 146 -21.150 2.699 -1.832 1.00 2.22 N ATOM 0 H ARG A 146 -15.015 2.068 0.330 1.00 0.17 H new ATOM 0 HA ARG A 146 -14.588 1.361 -2.312 1.00 0.17 H new ATOM 0 HB2 ARG A 146 -16.977 2.969 -1.374 1.00 0.19 H new ATOM 0 HB3 ARG A 146 -16.927 1.706 -2.588 1.00 0.19 H new ATOM 0 HG2 ARG A 146 -16.272 0.120 -0.639 1.00 0.24 H new ATOM 0 HG3 ARG A 146 -16.801 1.413 0.419 1.00 0.24 H new ATOM 0 HD2 ARG A 146 -18.434 -0.118 -1.623 1.00 0.29 H new ATOM 0 HD3 ARG A 146 -18.700 -0.003 0.105 1.00 0.29 H new ATOM 0 HE ARG A 146 -18.965 2.609 -0.649 1.00 1.00 H new ATOM 0 HH11 ARG A 146 -20.407 -0.435 -1.722 1.00 1.63 H new ATOM 0 HH12 ARG A 146 -21.845 0.347 -2.389 1.00 1.63 H new ATOM 0 HH21 ARG A 146 -20.784 3.610 -1.557 1.00 2.22 H new ATOM 0 HH22 ARG A 146 -22.056 2.632 -2.295 1.00 2.22 H new ATOM 2162 N ASP A 147 -14.691 4.609 -1.829 1.00 0.18 N ATOM 2163 CA ASP A 147 -14.467 5.889 -2.481 1.00 0.21 C ATOM 2164 C ASP A 147 -13.028 6.315 -2.269 1.00 0.18 C ATOM 2165 O ASP A 147 -12.692 7.484 -2.357 1.00 0.24 O ATOM 2166 CB ASP A 147 -15.431 6.959 -1.949 1.00 0.28 C ATOM 2167 CG ASP A 147 -15.374 8.257 -2.743 1.00 1.09 C ATOM 2168 OD1 ASP A 147 -15.737 8.250 -3.941 1.00 1.19 O ATOM 2169 OD2 ASP A 147 -14.974 9.291 -2.168 1.00 2.00 O ATOM 0 H ASP A 147 -14.810 4.660 -0.817 1.00 0.18 H new ATOM 0 HA ASP A 147 -14.658 5.778 -3.548 1.00 0.21 H new ATOM 0 HB2 ASP A 147 -16.448 6.569 -1.974 1.00 0.28 H new ATOM 0 HB3 ASP A 147 -15.195 7.167 -0.905 1.00 0.28 H new ATOM 2174 N GLY A 148 -12.170 5.344 -2.009 1.00 0.16 N ATOM 2175 CA GLY A 148 -10.769 5.624 -1.833 1.00 0.16 C ATOM 2176 C GLY A 148 -10.445 6.435 -0.591 1.00 0.15 C ATOM 2177 O GLY A 148 -9.577 7.295 -0.628 1.00 0.17 O ATOM 0 H GLY A 148 -12.424 4.361 -1.917 1.00 0.16 H new ATOM 0 HA2 GLY A 148 -10.225 4.681 -1.789 1.00 0.16 H new ATOM 0 HA3 GLY A 148 -10.405 6.161 -2.709 1.00 0.16 H new ATOM 2181 N VAL A 149 -11.116 6.180 0.509 1.00 0.17 N ATOM 2182 CA VAL A 149 -10.755 6.836 1.756 1.00 0.18 C ATOM 2183 C VAL A 149 -10.016 5.866 2.681 1.00 0.17 C ATOM 2184 O VAL A 149 -10.481 4.761 2.927 1.00 0.24 O ATOM 2185 CB VAL A 149 -11.996 7.414 2.477 1.00 0.28 C ATOM 2186 CG1 VAL A 149 -11.590 8.185 3.724 1.00 0.97 C ATOM 2187 CG2 VAL A 149 -12.790 8.306 1.534 1.00 1.12 C ATOM 0 H VAL A 149 -11.903 5.535 0.572 1.00 0.17 H new ATOM 0 HA VAL A 149 -10.093 7.666 1.508 1.00 0.18 H new ATOM 0 HB VAL A 149 -12.629 6.582 2.785 1.00 0.28 H new ATOM 0 HG11 VAL A 149 -12.480 8.581 4.213 1.00 0.97 H new ATOM 0 HG12 VAL A 149 -11.066 7.519 4.409 1.00 0.97 H new ATOM 0 HG13 VAL A 149 -10.933 9.008 3.445 1.00 0.97 H new ATOM 0 HG21 VAL A 149 -13.660 8.705 2.056 1.00 1.12 H new ATOM 0 HG22 VAL A 149 -12.161 9.129 1.196 1.00 1.12 H new ATOM 0 HG23 VAL A 149 -13.119 7.724 0.673 1.00 1.12 H new ATOM 2197 N PRO A 150 -8.841 6.268 3.191 1.00 0.21 N ATOM 2198 CA PRO A 150 -8.042 5.432 4.090 1.00 0.20 C ATOM 2199 C PRO A 150 -8.709 5.318 5.463 1.00 0.23 C ATOM 2200 O PRO A 150 -8.905 6.318 6.157 1.00 0.34 O ATOM 2201 CB PRO A 150 -6.705 6.173 4.225 1.00 0.26 C ATOM 2202 CG PRO A 150 -6.825 7.445 3.448 1.00 0.29 C ATOM 2203 CD PRO A 150 -8.241 7.582 2.963 1.00 0.41 C ATOM 0 HA PRO A 150 -7.928 4.418 3.706 1.00 0.20 H new ATOM 0 HB2 PRO A 150 -6.484 6.381 5.272 1.00 0.26 H new ATOM 0 HB3 PRO A 150 -5.887 5.563 3.842 1.00 0.26 H new ATOM 0 HG2 PRO A 150 -6.556 8.296 4.073 1.00 0.29 H new ATOM 0 HG3 PRO A 150 -6.135 7.439 2.604 1.00 0.29 H new ATOM 0 HD2 PRO A 150 -8.773 8.360 3.510 1.00 0.41 H new ATOM 0 HD3 PRO A 150 -8.274 7.854 1.908 1.00 0.41 H new ATOM 2211 N VAL A 151 -9.055 4.106 5.852 1.00 0.22 N ATOM 2212 CA VAL A 151 -9.786 3.867 7.084 1.00 0.29 C ATOM 2213 C VAL A 151 -8.968 2.978 8.004 1.00 0.32 C ATOM 2214 O VAL A 151 -9.330 2.759 9.149 1.00 0.61 O ATOM 2215 CB VAL A 151 -11.161 3.208 6.800 1.00 0.42 C ATOM 2216 CG1 VAL A 151 -12.036 3.197 8.044 1.00 1.45 C ATOM 2217 CG2 VAL A 151 -11.873 3.911 5.656 1.00 1.13 C ATOM 0 H VAL A 151 -8.838 3.260 5.325 1.00 0.22 H new ATOM 0 HA VAL A 151 -9.963 4.828 7.567 1.00 0.29 H new ATOM 0 HB VAL A 151 -10.976 2.174 6.508 1.00 0.42 H new ATOM 0 HG11 VAL A 151 -12.993 2.729 7.812 1.00 1.45 H new ATOM 0 HG12 VAL A 151 -11.539 2.634 8.834 1.00 1.45 H new ATOM 0 HG13 VAL A 151 -12.205 4.220 8.379 1.00 1.45 H new ATOM 0 HG21 VAL A 151 -12.835 3.431 5.476 1.00 1.13 H new ATOM 0 HG22 VAL A 151 -12.033 4.958 5.915 1.00 1.13 H new ATOM 0 HG23 VAL A 151 -11.263 3.850 4.755 1.00 1.13 H new ATOM 2227 N GLU A 152 -7.854 2.480 7.483 1.00 0.19 N ATOM 2228 CA GLU A 152 -6.909 1.672 8.267 1.00 0.20 C ATOM 2229 C GLU A 152 -5.528 1.744 7.685 1.00 0.20 C ATOM 2230 O GLU A 152 -5.318 2.267 6.599 1.00 0.19 O ATOM 2231 CB GLU A 152 -7.272 0.186 8.345 1.00 0.21 C ATOM 2232 CG GLU A 152 -8.510 -0.092 9.139 1.00 0.57 C ATOM 2233 CD GLU A 152 -8.256 -0.057 10.635 1.00 0.63 C ATOM 2234 OE1 GLU A 152 -7.926 1.029 11.161 1.00 1.17 O ATOM 2235 OE2 GLU A 152 -8.382 -1.112 11.288 1.00 1.17 O ATOM 0 H GLU A 152 -7.575 2.620 6.512 1.00 0.19 H new ATOM 0 HA GLU A 152 -6.956 2.100 9.268 1.00 0.20 H new ATOM 0 HB2 GLU A 152 -7.406 -0.199 7.334 1.00 0.21 H new ATOM 0 HB3 GLU A 152 -6.438 -0.360 8.787 1.00 0.21 H new ATOM 0 HG2 GLU A 152 -9.274 0.643 8.885 1.00 0.57 H new ATOM 0 HG3 GLU A 152 -8.904 -1.070 8.863 1.00 0.57 H new ATOM 2242 N ARG A 153 -4.600 1.254 8.464 1.00 0.23 N ATOM 2243 CA ARG A 153 -3.277 0.917 7.996 1.00 0.24 C ATOM 2244 C ARG A 153 -2.764 -0.260 8.796 1.00 0.25 C ATOM 2245 O ARG A 153 -2.861 -0.279 10.023 1.00 0.39 O ATOM 2246 CB ARG A 153 -2.344 2.115 8.064 1.00 0.36 C ATOM 2247 CG ARG A 153 -0.857 1.789 8.044 1.00 0.40 C ATOM 2248 CD ARG A 153 -0.119 2.608 9.075 1.00 0.47 C ATOM 2249 NE ARG A 153 -0.320 4.047 8.884 1.00 0.65 N ATOM 2250 CZ ARG A 153 0.456 4.973 9.437 1.00 1.51 C ATOM 2251 NH1 ARG A 153 1.373 4.611 10.323 1.00 2.16 N ATOM 2252 NH2 ARG A 153 0.278 6.259 9.148 1.00 1.85 N ATOM 0 H ARG A 153 -4.742 1.074 9.458 1.00 0.23 H new ATOM 0 HA ARG A 153 -3.319 0.632 6.945 1.00 0.24 H new ATOM 0 HB2 ARG A 153 -2.565 2.774 7.224 1.00 0.36 H new ATOM 0 HB3 ARG A 153 -2.564 2.673 8.974 1.00 0.36 H new ATOM 0 HG2 ARG A 153 -0.709 0.727 8.242 1.00 0.40 H new ATOM 0 HG3 ARG A 153 -0.449 1.989 7.053 1.00 0.40 H new ATOM 0 HD2 ARG A 153 -0.457 2.325 10.072 1.00 0.47 H new ATOM 0 HD3 ARG A 153 0.946 2.381 9.023 1.00 0.47 H new ATOM 0 HE ARG A 153 -1.095 4.353 8.296 1.00 0.65 H new ATOM 0 HH11 ARG A 153 1.479 3.628 10.575 1.00 2.16 H new ATOM 0 HH12 ARG A 153 1.973 5.315 10.753 1.00 2.16 H new ATOM 0 HH21 ARG A 153 -0.457 6.539 8.499 1.00 1.85 H new ATOM 0 HH22 ARG A 153 0.877 6.965 9.576 1.00 1.85 H new ATOM 2266 N PHE A 154 -2.226 -1.233 8.096 1.00 0.24 N ATOM 2267 CA PHE A 154 -1.928 -2.516 8.685 1.00 0.22 C ATOM 2268 C PHE A 154 -0.436 -2.725 8.697 1.00 0.24 C ATOM 2269 O PHE A 154 0.258 -2.265 7.796 1.00 0.32 O ATOM 2270 CB PHE A 154 -2.585 -3.638 7.880 1.00 0.22 C ATOM 2271 CG PHE A 154 -4.088 -3.645 7.919 1.00 0.20 C ATOM 2272 CD1 PHE A 154 -4.767 -4.321 8.918 1.00 0.21 C ATOM 2273 CD2 PHE A 154 -4.821 -2.948 6.969 1.00 0.22 C ATOM 2274 CE1 PHE A 154 -6.146 -4.300 8.974 1.00 0.22 C ATOM 2275 CE2 PHE A 154 -6.203 -2.931 7.018 1.00 0.24 C ATOM 2276 CZ PHE A 154 -6.865 -3.709 7.956 1.00 0.22 C ATOM 0 H PHE A 154 -1.984 -1.157 7.108 1.00 0.24 H new ATOM 0 HA PHE A 154 -2.317 -2.534 9.703 1.00 0.22 H new ATOM 0 HB2 PHE A 154 -2.263 -3.558 6.842 1.00 0.22 H new ATOM 0 HB3 PHE A 154 -2.221 -4.595 8.254 1.00 0.22 H new ATOM 0 HD1 PHE A 154 -4.211 -4.871 9.663 1.00 0.21 H new ATOM 0 HD2 PHE A 154 -4.307 -2.414 6.184 1.00 0.22 H new ATOM 0 HE1 PHE A 154 -6.661 -4.745 9.813 1.00 0.22 H new ATOM 0 HE2 PHE A 154 -6.763 -2.316 6.330 1.00 0.24 H new ATOM 0 HZ PHE A 154 -7.934 -3.851 7.890 1.00 0.22 H new ATOM 2286 N SER A 155 0.051 -3.409 9.706 1.00 0.22 N ATOM 2287 CA SER A 155 1.454 -3.757 9.770 1.00 0.25 C ATOM 2288 C SER A 155 1.782 -4.711 8.625 1.00 0.22 C ATOM 2289 O SER A 155 0.923 -5.458 8.171 1.00 0.26 O ATOM 2290 CB SER A 155 1.752 -4.420 11.115 1.00 0.35 C ATOM 2291 OG SER A 155 1.280 -3.625 12.186 1.00 1.11 O ATOM 0 H SER A 155 -0.504 -3.737 10.496 1.00 0.22 H new ATOM 0 HA SER A 155 2.067 -2.861 9.677 1.00 0.25 H new ATOM 0 HB2 SER A 155 1.282 -5.403 11.152 1.00 0.35 H new ATOM 0 HB3 SER A 155 2.826 -4.576 11.218 1.00 0.35 H new ATOM 0 HG SER A 155 1.480 -4.069 13.036 1.00 1.11 H new ATOM 2297 N PRO A 156 3.023 -4.685 8.121 1.00 0.25 N ATOM 2298 CA PRO A 156 3.465 -5.600 7.063 1.00 0.29 C ATOM 2299 C PRO A 156 3.497 -7.029 7.561 1.00 0.39 C ATOM 2300 O PRO A 156 3.601 -7.972 6.786 1.00 0.78 O ATOM 2301 CB PRO A 156 4.879 -5.127 6.746 1.00 0.34 C ATOM 2302 CG PRO A 156 5.321 -4.424 7.977 1.00 0.36 C ATOM 2303 CD PRO A 156 4.091 -3.773 8.538 1.00 0.33 C ATOM 0 HA PRO A 156 2.801 -5.590 6.199 1.00 0.29 H new ATOM 0 HB2 PRO A 156 5.535 -5.965 6.511 1.00 0.34 H new ATOM 0 HB3 PRO A 156 4.891 -4.461 5.883 1.00 0.34 H new ATOM 0 HG2 PRO A 156 5.755 -5.123 8.692 1.00 0.36 H new ATOM 0 HG3 PRO A 156 6.087 -3.683 7.751 1.00 0.36 H new ATOM 0 HD2 PRO A 156 4.142 -3.679 9.623 1.00 0.33 H new ATOM 0 HD3 PRO A 156 3.946 -2.770 8.137 1.00 0.33 H new ATOM 2311 N GLY A 157 3.466 -7.151 8.875 1.00 0.36 N ATOM 2312 CA GLY A 157 3.348 -8.431 9.521 1.00 0.46 C ATOM 2313 C GLY A 157 1.907 -8.853 9.725 1.00 0.41 C ATOM 2314 O GLY A 157 1.641 -9.914 10.291 1.00 0.50 O ATOM 0 H GLY A 157 3.522 -6.362 9.518 1.00 0.36 H new ATOM 0 HA2 GLY A 157 3.861 -9.184 8.923 1.00 0.46 H new ATOM 0 HA3 GLY A 157 3.851 -8.394 10.487 1.00 0.46 H new ATOM 2318 N ALA A 158 0.971 -8.030 9.255 1.00 0.34 N ATOM 2319 CA ALA A 158 -0.431 -8.401 9.273 1.00 0.31 C ATOM 2320 C ALA A 158 -0.701 -9.391 8.157 1.00 0.34 C ATOM 2321 O ALA A 158 0.000 -9.408 7.142 1.00 0.50 O ATOM 2322 CB ALA A 158 -1.329 -7.178 9.136 1.00 0.37 C ATOM 0 H ALA A 158 1.162 -7.109 8.861 1.00 0.34 H new ATOM 0 HA ALA A 158 -0.659 -8.865 10.233 1.00 0.31 H new ATOM 0 HB1 ALA A 158 -2.373 -7.490 9.153 1.00 0.37 H new ATOM 0 HB2 ALA A 158 -1.141 -6.494 9.964 1.00 0.37 H new ATOM 0 HB3 ALA A 158 -1.116 -6.674 8.193 1.00 0.37 H new ATOM 2328 N SER A 159 -1.701 -10.217 8.343 1.00 0.26 N ATOM 2329 CA SER A 159 -1.997 -11.256 7.400 1.00 0.30 C ATOM 2330 C SER A 159 -3.319 -10.977 6.709 1.00 0.23 C ATOM 2331 O SER A 159 -4.054 -10.074 7.109 1.00 0.22 O ATOM 2332 CB SER A 159 -2.028 -12.601 8.120 1.00 0.41 C ATOM 2333 OG SER A 159 -0.809 -12.820 8.815 1.00 1.42 O ATOM 0 H SER A 159 -2.326 -10.185 9.148 1.00 0.26 H new ATOM 0 HA SER A 159 -1.220 -11.287 6.636 1.00 0.30 H new ATOM 0 HB2 SER A 159 -2.863 -12.626 8.821 1.00 0.41 H new ATOM 0 HB3 SER A 159 -2.192 -13.402 7.400 1.00 0.41 H new ATOM 0 HG SER A 159 -0.845 -13.686 9.273 1.00 1.42 H new ATOM 2339 N VAL A 160 -3.586 -11.752 5.673 1.00 0.22 N ATOM 2340 CA VAL A 160 -4.799 -11.640 4.868 1.00 0.20 C ATOM 2341 C VAL A 160 -6.035 -11.388 5.735 1.00 0.21 C ATOM 2342 O VAL A 160 -6.764 -10.422 5.526 1.00 0.20 O ATOM 2343 CB VAL A 160 -5.002 -12.955 4.103 1.00 0.24 C ATOM 2344 CG1 VAL A 160 -6.265 -12.927 3.260 1.00 0.28 C ATOM 2345 CG2 VAL A 160 -3.797 -13.272 3.235 1.00 0.26 C ATOM 0 H VAL A 160 -2.958 -12.491 5.358 1.00 0.22 H new ATOM 0 HA VAL A 160 -4.679 -10.796 4.188 1.00 0.20 H new ATOM 0 HB VAL A 160 -5.114 -13.744 4.847 1.00 0.24 H new ATOM 0 HG11 VAL A 160 -6.373 -13.876 2.734 1.00 0.28 H new ATOM 0 HG12 VAL A 160 -7.129 -12.769 3.905 1.00 0.28 H new ATOM 0 HG13 VAL A 160 -6.201 -12.116 2.535 1.00 0.28 H new ATOM 0 HG21 VAL A 160 -3.967 -14.209 2.704 1.00 0.26 H new ATOM 0 HG22 VAL A 160 -3.646 -12.468 2.514 1.00 0.26 H new ATOM 0 HG23 VAL A 160 -2.911 -13.367 3.863 1.00 0.26 H new ATOM 2355 N LYS A 161 -6.228 -12.241 6.740 1.00 0.26 N ATOM 2356 CA LYS A 161 -7.426 -12.211 7.573 1.00 0.31 C ATOM 2357 C LYS A 161 -7.489 -10.932 8.401 1.00 0.26 C ATOM 2358 O LYS A 161 -8.567 -10.389 8.646 1.00 0.27 O ATOM 2359 CB LYS A 161 -7.448 -13.440 8.491 1.00 0.45 C ATOM 2360 CG LYS A 161 -8.592 -13.442 9.494 1.00 1.12 C ATOM 2361 CD LYS A 161 -8.573 -14.690 10.362 1.00 1.80 C ATOM 2362 CE LYS A 161 -9.548 -14.575 11.523 1.00 2.67 C ATOM 2363 NZ LYS A 161 -9.135 -13.522 12.489 1.00 3.46 N ATOM 0 H LYS A 161 -5.561 -12.968 6.998 1.00 0.26 H new ATOM 0 HA LYS A 161 -8.300 -12.231 6.922 1.00 0.31 H new ATOM 0 HB2 LYS A 161 -7.515 -14.338 7.877 1.00 0.45 H new ATOM 0 HB3 LYS A 161 -6.503 -13.493 9.032 1.00 0.45 H new ATOM 0 HG2 LYS A 161 -8.524 -12.557 10.127 1.00 1.12 H new ATOM 0 HG3 LYS A 161 -9.542 -13.382 8.963 1.00 1.12 H new ATOM 0 HD2 LYS A 161 -8.827 -15.560 9.756 1.00 1.80 H new ATOM 0 HD3 LYS A 161 -7.566 -14.852 10.746 1.00 1.80 H new ATOM 0 HE2 LYS A 161 -10.543 -14.347 11.141 1.00 2.67 H new ATOM 0 HE3 LYS A 161 -9.616 -15.534 12.037 1.00 2.67 H new ATOM 0 HZ1 LYS A 161 -9.626 -13.669 13.394 1.00 3.46 H new ATOM 0 HZ2 LYS A 161 -8.107 -13.573 12.640 1.00 3.46 H new ATOM 0 HZ3 LYS A 161 -9.383 -12.586 12.109 1.00 3.46 H new ATOM 2377 N ASP A 162 -6.322 -10.438 8.792 1.00 0.26 N ATOM 2378 CA ASP A 162 -6.231 -9.272 9.651 1.00 0.27 C ATOM 2379 C ASP A 162 -6.659 -8.037 8.888 1.00 0.22 C ATOM 2380 O ASP A 162 -7.188 -7.088 9.455 1.00 0.26 O ATOM 2381 CB ASP A 162 -4.804 -9.092 10.163 1.00 0.33 C ATOM 2382 CG ASP A 162 -4.327 -10.260 10.998 1.00 0.78 C ATOM 2383 OD1 ASP A 162 -5.094 -10.715 11.875 1.00 0.86 O ATOM 2384 OD2 ASP A 162 -3.186 -10.729 10.784 1.00 1.40 O ATOM 0 H ASP A 162 -5.420 -10.832 8.524 1.00 0.26 H new ATOM 0 HA ASP A 162 -6.892 -9.418 10.505 1.00 0.27 H new ATOM 0 HB2 ASP A 162 -4.133 -8.960 9.314 1.00 0.33 H new ATOM 0 HB3 ASP A 162 -4.749 -8.180 10.758 1.00 0.33 H new ATOM 2389 N ILE A 163 -6.402 -8.059 7.597 1.00 0.18 N ATOM 2390 CA ILE A 163 -6.822 -6.992 6.713 1.00 0.15 C ATOM 2391 C ILE A 163 -8.264 -7.191 6.266 1.00 0.14 C ATOM 2392 O ILE A 163 -9.052 -6.243 6.264 1.00 0.15 O ATOM 2393 CB ILE A 163 -5.889 -6.905 5.488 1.00 0.14 C ATOM 2394 CG1 ILE A 163 -4.521 -6.344 5.903 1.00 0.15 C ATOM 2395 CG2 ILE A 163 -6.509 -6.055 4.385 1.00 0.15 C ATOM 2396 CD1 ILE A 163 -3.490 -6.410 4.803 1.00 0.21 C ATOM 0 H ILE A 163 -5.898 -8.814 7.132 1.00 0.18 H new ATOM 0 HA ILE A 163 -6.762 -6.054 7.265 1.00 0.15 H new ATOM 0 HB ILE A 163 -5.749 -7.911 5.092 1.00 0.14 H new ATOM 0 HG12 ILE A 163 -4.641 -5.307 6.217 1.00 0.15 H new ATOM 0 HG13 ILE A 163 -4.156 -6.898 6.767 1.00 0.15 H new ATOM 0 HG21 ILE A 163 -5.829 -6.011 3.534 1.00 0.15 H new ATOM 0 HG22 ILE A 163 -7.454 -6.498 4.072 1.00 0.15 H new ATOM 0 HG23 ILE A 163 -6.687 -5.047 4.759 1.00 0.15 H new ATOM 0 HD11 ILE A 163 -2.547 -5.998 5.163 1.00 0.21 H new ATOM 0 HD12 ILE A 163 -3.342 -7.448 4.505 1.00 0.21 H new ATOM 0 HD13 ILE A 163 -3.835 -5.832 3.946 1.00 0.21 H new ATOM 2408 N GLU A 164 -8.617 -8.429 5.917 1.00 0.13 N ATOM 2409 CA GLU A 164 -9.953 -8.731 5.412 1.00 0.13 C ATOM 2410 C GLU A 164 -11.037 -8.226 6.351 1.00 0.15 C ATOM 2411 O GLU A 164 -12.034 -7.685 5.912 1.00 0.15 O ATOM 2412 CB GLU A 164 -10.179 -10.232 5.235 1.00 0.14 C ATOM 2413 CG GLU A 164 -9.514 -10.856 4.028 1.00 0.20 C ATOM 2414 CD GLU A 164 -9.992 -12.275 3.795 1.00 0.30 C ATOM 2415 OE1 GLU A 164 -11.175 -12.468 3.455 1.00 0.60 O ATOM 2416 OE2 GLU A 164 -9.181 -13.211 3.949 1.00 0.67 O ATOM 0 H GLU A 164 -7.996 -9.236 5.975 1.00 0.13 H new ATOM 0 HA GLU A 164 -10.015 -8.227 4.448 1.00 0.13 H new ATOM 0 HB2 GLU A 164 -9.821 -10.743 6.129 1.00 0.14 H new ATOM 0 HB3 GLU A 164 -11.252 -10.415 5.171 1.00 0.14 H new ATOM 0 HG2 GLU A 164 -9.723 -10.252 3.145 1.00 0.20 H new ATOM 0 HG3 GLU A 164 -8.433 -10.854 4.167 1.00 0.20 H new ATOM 2423 N GLU A 165 -10.841 -8.426 7.642 1.00 0.18 N ATOM 2424 CA GLU A 165 -11.834 -8.035 8.642 1.00 0.21 C ATOM 2425 C GLU A 165 -12.215 -6.559 8.533 1.00 0.21 C ATOM 2426 O GLU A 165 -13.330 -6.175 8.880 1.00 0.27 O ATOM 2427 CB GLU A 165 -11.310 -8.322 10.050 1.00 0.27 C ATOM 2428 CG GLU A 165 -9.931 -7.739 10.299 1.00 0.47 C ATOM 2429 CD GLU A 165 -9.534 -7.742 11.757 1.00 0.66 C ATOM 2430 OE1 GLU A 165 -9.145 -8.809 12.276 1.00 0.83 O ATOM 2431 OE2 GLU A 165 -9.603 -6.665 12.393 1.00 0.87 O ATOM 0 H GLU A 165 -10.002 -8.858 8.029 1.00 0.18 H new ATOM 0 HA GLU A 165 -12.729 -8.627 8.450 1.00 0.21 H new ATOM 0 HB2 GLU A 165 -12.008 -7.915 10.782 1.00 0.27 H new ATOM 0 HB3 GLU A 165 -11.276 -9.400 10.207 1.00 0.27 H new ATOM 0 HG2 GLU A 165 -9.196 -8.307 9.729 1.00 0.47 H new ATOM 0 HG3 GLU A 165 -9.904 -6.716 9.925 1.00 0.47 H new ATOM 2438 N LYS A 166 -11.293 -5.734 8.062 1.00 0.19 N ATOM 2439 CA LYS A 166 -11.581 -4.321 7.864 1.00 0.20 C ATOM 2440 C LYS A 166 -12.009 -4.071 6.425 1.00 0.19 C ATOM 2441 O LYS A 166 -12.682 -3.090 6.113 1.00 0.25 O ATOM 2442 CB LYS A 166 -10.362 -3.467 8.213 1.00 0.25 C ATOM 2443 CG LYS A 166 -9.972 -3.516 9.683 1.00 0.38 C ATOM 2444 CD LYS A 166 -11.163 -3.227 10.585 1.00 0.58 C ATOM 2445 CE LYS A 166 -10.731 -2.885 12.005 1.00 1.09 C ATOM 2446 NZ LYS A 166 -9.709 -3.830 12.535 1.00 1.71 N ATOM 0 H LYS A 166 -10.345 -6.015 7.811 1.00 0.19 H new ATOM 0 HA LYS A 166 -12.397 -4.038 8.528 1.00 0.20 H new ATOM 0 HB2 LYS A 166 -9.515 -3.798 7.612 1.00 0.25 H new ATOM 0 HB3 LYS A 166 -10.565 -2.432 7.936 1.00 0.25 H new ATOM 0 HG2 LYS A 166 -9.565 -4.499 9.920 1.00 0.38 H new ATOM 0 HG3 LYS A 166 -9.183 -2.789 9.876 1.00 0.38 H new ATOM 0 HD2 LYS A 166 -11.739 -2.399 10.172 1.00 0.58 H new ATOM 0 HD3 LYS A 166 -11.822 -4.095 10.605 1.00 0.58 H new ATOM 0 HE2 LYS A 166 -10.329 -1.872 12.025 1.00 1.09 H new ATOM 0 HE3 LYS A 166 -11.603 -2.895 12.659 1.00 1.09 H new ATOM 0 HZ1 LYS A 166 -9.635 -3.718 13.566 1.00 1.71 H new ATOM 0 HZ2 LYS A 166 -9.990 -4.806 12.312 1.00 1.71 H new ATOM 0 HZ3 LYS A 166 -8.788 -3.626 12.097 1.00 1.71 H new ATOM 2460 N LEU A 167 -11.636 -5.004 5.571 1.00 0.15 N ATOM 2461 CA LEU A 167 -11.833 -4.901 4.137 1.00 0.15 C ATOM 2462 C LEU A 167 -13.210 -5.403 3.700 1.00 0.15 C ATOM 2463 O LEU A 167 -13.919 -4.736 2.944 1.00 0.16 O ATOM 2464 CB LEU A 167 -10.759 -5.733 3.448 1.00 0.13 C ATOM 2465 CG LEU A 167 -11.053 -6.065 1.998 1.00 0.14 C ATOM 2466 CD1 LEU A 167 -10.870 -4.834 1.132 1.00 0.16 C ATOM 2467 CD2 LEU A 167 -10.179 -7.208 1.525 1.00 0.16 C ATOM 0 H LEU A 167 -11.180 -5.870 5.858 1.00 0.15 H new ATOM 0 HA LEU A 167 -11.767 -3.849 3.859 1.00 0.15 H new ATOM 0 HB2 LEU A 167 -9.812 -5.195 3.499 1.00 0.13 H new ATOM 0 HB3 LEU A 167 -10.628 -6.663 4.001 1.00 0.13 H new ATOM 0 HG LEU A 167 -12.091 -6.387 1.913 1.00 0.14 H new ATOM 0 HD11 LEU A 167 -11.084 -5.085 0.093 1.00 0.16 H new ATOM 0 HD12 LEU A 167 -11.552 -4.051 1.464 1.00 0.16 H new ATOM 0 HD13 LEU A 167 -9.843 -4.480 1.216 1.00 0.16 H new ATOM 0 HD21 LEU A 167 -10.405 -7.431 0.482 1.00 0.16 H new ATOM 0 HD22 LEU A 167 -9.130 -6.926 1.617 1.00 0.16 H new ATOM 0 HD23 LEU A 167 -10.372 -8.090 2.135 1.00 0.16 H new ATOM 2479 N ILE A 168 -13.558 -6.591 4.173 1.00 0.16 N ATOM 2480 CA ILE A 168 -14.759 -7.298 3.748 1.00 0.19 C ATOM 2481 C ILE A 168 -16.033 -6.462 3.938 1.00 0.22 C ATOM 2482 O ILE A 168 -16.851 -6.385 3.020 1.00 0.25 O ATOM 2483 CB ILE A 168 -14.893 -8.656 4.474 1.00 0.20 C ATOM 2484 CG1 ILE A 168 -13.682 -9.546 4.151 1.00 0.19 C ATOM 2485 CG2 ILE A 168 -16.191 -9.354 4.084 1.00 0.26 C ATOM 2486 CD1 ILE A 168 -13.684 -10.865 4.893 1.00 0.24 C ATOM 0 H ILE A 168 -13.010 -7.097 4.869 1.00 0.16 H new ATOM 0 HA ILE A 168 -14.648 -7.480 2.679 1.00 0.19 H new ATOM 0 HB ILE A 168 -14.919 -8.474 5.548 1.00 0.20 H new ATOM 0 HG12 ILE A 168 -13.661 -9.742 3.079 1.00 0.19 H new ATOM 0 HG13 ILE A 168 -12.768 -9.004 4.394 1.00 0.19 H new ATOM 0 HG21 ILE A 168 -16.263 -10.307 4.607 1.00 0.26 H new ATOM 0 HG22 ILE A 168 -17.038 -8.725 4.357 1.00 0.26 H new ATOM 0 HG23 ILE A 168 -16.201 -9.529 3.008 1.00 0.26 H new ATOM 0 HD11 ILE A 168 -12.800 -11.440 4.616 1.00 0.24 H new ATOM 0 HD12 ILE A 168 -13.673 -10.678 5.967 1.00 0.24 H new ATOM 0 HD13 ILE A 168 -14.580 -11.428 4.632 1.00 0.24 H new ATOM 2498 N PRO A 169 -16.233 -5.828 5.117 1.00 0.24 N ATOM 2499 CA PRO A 169 -17.371 -4.922 5.341 1.00 0.29 C ATOM 2500 C PRO A 169 -17.468 -3.822 4.284 1.00 0.29 C ATOM 2501 O PRO A 169 -18.555 -3.327 3.984 1.00 0.41 O ATOM 2502 CB PRO A 169 -17.076 -4.308 6.708 1.00 0.34 C ATOM 2503 CG PRO A 169 -16.250 -5.326 7.404 1.00 0.40 C ATOM 2504 CD PRO A 169 -15.414 -5.973 6.338 1.00 0.24 C ATOM 0 HA PRO A 169 -18.321 -5.454 5.287 1.00 0.29 H new ATOM 0 HB2 PRO A 169 -16.542 -3.363 6.611 1.00 0.34 H new ATOM 0 HB3 PRO A 169 -17.995 -4.100 7.256 1.00 0.34 H new ATOM 0 HG2 PRO A 169 -15.623 -4.865 8.167 1.00 0.40 H new ATOM 0 HG3 PRO A 169 -16.878 -6.061 7.908 1.00 0.40 H new ATOM 0 HD2 PRO A 169 -14.447 -5.481 6.233 1.00 0.24 H new ATOM 0 HD3 PRO A 169 -15.215 -7.020 6.565 1.00 0.24 H new ATOM 2512 N LEU A 170 -16.328 -3.445 3.720 1.00 0.22 N ATOM 2513 CA LEU A 170 -16.294 -2.411 2.698 1.00 0.22 C ATOM 2514 C LEU A 170 -16.545 -2.999 1.311 1.00 0.20 C ATOM 2515 O LEU A 170 -17.347 -2.458 0.547 1.00 0.23 O ATOM 2516 CB LEU A 170 -14.962 -1.661 2.730 1.00 0.24 C ATOM 2517 CG LEU A 170 -14.739 -0.743 3.925 1.00 0.33 C ATOM 2518 CD1 LEU A 170 -13.330 -0.173 3.874 1.00 0.71 C ATOM 2519 CD2 LEU A 170 -15.767 0.377 3.928 1.00 0.69 C ATOM 0 H LEU A 170 -15.417 -3.840 3.953 1.00 0.22 H new ATOM 0 HA LEU A 170 -17.094 -1.702 2.914 1.00 0.22 H new ATOM 0 HB2 LEU A 170 -14.155 -2.393 2.705 1.00 0.24 H new ATOM 0 HB3 LEU A 170 -14.881 -1.066 1.820 1.00 0.24 H new ATOM 0 HG LEU A 170 -14.856 -1.316 4.845 1.00 0.33 H new ATOM 0 HD11 LEU A 170 -13.172 0.484 4.730 1.00 0.71 H new ATOM 0 HD12 LEU A 170 -12.607 -0.988 3.903 1.00 0.71 H new ATOM 0 HD13 LEU A 170 -13.200 0.394 2.952 1.00 0.71 H new ATOM 0 HD21 LEU A 170 -15.596 1.025 4.787 1.00 0.69 H new ATOM 0 HD22 LEU A 170 -15.674 0.958 3.011 1.00 0.69 H new ATOM 0 HD23 LEU A 170 -16.769 -0.049 3.988 1.00 0.69 H new ATOM 2531 N LEU A 171 -15.861 -4.098 0.984 1.00 0.18 N ATOM 2532 CA LEU A 171 -16.074 -4.784 -0.297 1.00 0.20 C ATOM 2533 C LEU A 171 -17.518 -5.180 -0.428 1.00 0.27 C ATOM 2534 O LEU A 171 -18.224 -4.785 -1.358 1.00 0.34 O ATOM 2535 CB LEU A 171 -15.240 -6.057 -0.388 1.00 0.26 C ATOM 2536 CG LEU A 171 -13.744 -5.849 -0.419 1.00 0.17 C ATOM 2537 CD1 LEU A 171 -13.029 -7.185 -0.496 1.00 0.26 C ATOM 2538 CD2 LEU A 171 -13.362 -4.974 -1.598 1.00 0.31 C ATOM 0 H LEU A 171 -15.158 -4.532 1.583 1.00 0.18 H new ATOM 0 HA LEU A 171 -15.781 -4.095 -1.089 1.00 0.20 H new ATOM 0 HB2 LEU A 171 -15.484 -6.693 0.463 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -15.533 -6.600 -1.286 1.00 0.26 H new ATOM 0 HG LEU A 171 -13.440 -5.347 0.499 1.00 0.17 H new ATOM 0 HD11 LEU A 171 -11.952 -7.020 -0.518 1.00 0.26 H new ATOM 0 HD12 LEU A 171 -13.287 -7.786 0.376 1.00 0.26 H new ATOM 0 HD13 LEU A 171 -13.334 -7.709 -1.402 1.00 0.26 H new ATOM 0 HD21 LEU A 171 -12.281 -4.831 -1.610 1.00 0.31 H new ATOM 0 HD22 LEU A 171 -13.675 -5.455 -2.525 1.00 0.31 H new ATOM 0 HD23 LEU A 171 -13.855 -4.006 -1.508 1.00 0.31 H new ATOM 2550 N GLY A 172 -17.937 -5.957 0.549 1.00 0.29 N ATOM 2551 CA GLY A 172 -19.279 -6.464 0.588 1.00 0.39 C ATOM 2552 C GLY A 172 -20.301 -5.364 0.781 1.00 0.66 C ATOM 2553 O GLY A 172 -21.474 -5.534 0.447 1.00 1.12 O ATOM 0 H GLY A 172 -17.354 -6.250 1.333 1.00 0.29 H new ATOM 0 HA2 GLY A 172 -19.491 -6.996 -0.339 1.00 0.39 H new ATOM 0 HA3 GLY A 172 -19.369 -7.187 1.399 1.00 0.39 H new ATOM 2557 N SER A 173 -19.838 -4.232 1.308 1.00 0.85 N ATOM 2558 CA SER A 173 -20.688 -3.080 1.578 1.00 1.33 C ATOM 2559 C SER A 173 -21.750 -3.428 2.617 1.00 1.84 C ATOM 2560 O SER A 173 -22.942 -3.500 2.318 1.00 2.43 O ATOM 2561 CB SER A 173 -21.330 -2.564 0.285 1.00 2.03 C ATOM 2562 OG SER A 173 -20.335 -2.234 -0.676 1.00 2.64 O ATOM 0 H SER A 173 -18.860 -4.090 1.560 1.00 0.85 H new ATOM 0 HA SER A 173 -20.067 -2.282 1.985 1.00 1.33 H new ATOM 0 HB2 SER A 173 -21.998 -3.323 -0.123 1.00 2.03 H new ATOM 0 HB3 SER A 173 -21.939 -1.686 0.501 1.00 2.03 H new ATOM 0 HG SER A 173 -19.448 -2.297 -0.264 1.00 2.64 H new ATOM 2568 N ALA A 174 -21.294 -3.646 3.844 1.00 2.40 N ATOM 2569 CA ALA A 174 -22.186 -3.943 4.957 1.00 3.35 C ATOM 2570 C ALA A 174 -22.880 -2.674 5.436 1.00 3.69 C ATOM 2571 O ALA A 174 -23.760 -2.711 6.296 1.00 4.35 O ATOM 2572 CB ALA A 174 -21.410 -4.590 6.093 1.00 4.30 C ATOM 0 H ALA A 174 -20.305 -3.622 4.094 1.00 2.40 H new ATOM 0 HA ALA A 174 -22.949 -4.642 4.616 1.00 3.35 H new ATOM 0 HB1 ALA A 174 -22.087 -4.807 6.919 1.00 4.30 H new ATOM 0 HB2 ALA A 174 -20.957 -5.517 5.742 1.00 4.30 H new ATOM 0 HB3 ALA A 174 -20.629 -3.910 6.434 1.00 4.30 H new ATOM 2578 N ARG A 175 -22.460 -1.550 4.874 1.00 3.66 N ATOM 2579 CA ARG A 175 -23.065 -0.262 5.159 1.00 4.44 C ATOM 2580 C ARG A 175 -23.092 0.567 3.881 1.00 4.81 C ATOM 2581 O ARG A 175 -22.050 0.798 3.267 1.00 5.15 O ATOM 2582 CB ARG A 175 -22.273 0.485 6.236 1.00 5.16 C ATOM 2583 CG ARG A 175 -22.954 1.756 6.718 1.00 5.82 C ATOM 2584 CD ARG A 175 -21.939 2.808 7.127 1.00 6.62 C ATOM 2585 NE ARG A 175 -21.199 3.314 5.972 1.00 7.03 N ATOM 2586 CZ ARG A 175 -20.073 4.021 6.047 1.00 7.84 C ATOM 2587 NH1 ARG A 175 -19.517 4.285 7.222 1.00 8.30 N ATOM 2588 NH2 ARG A 175 -19.498 4.448 4.931 1.00 8.45 N ATOM 0 H ARG A 175 -21.689 -1.508 4.207 1.00 3.66 H new ATOM 0 HA ARG A 175 -24.079 -0.422 5.526 1.00 4.44 H new ATOM 0 HB2 ARG A 175 -22.116 -0.179 7.086 1.00 5.16 H new ATOM 0 HB3 ARG A 175 -21.288 0.737 5.842 1.00 5.16 H new ATOM 0 HG2 ARG A 175 -23.591 2.151 5.927 1.00 5.82 H new ATOM 0 HG3 ARG A 175 -23.602 1.525 7.564 1.00 5.82 H new ATOM 0 HD2 ARG A 175 -22.449 3.633 7.624 1.00 6.62 H new ATOM 0 HD3 ARG A 175 -21.242 2.382 7.849 1.00 6.62 H new ATOM 0 HE ARG A 175 -21.571 3.111 5.044 1.00 7.03 H new ATOM 0 HH11 ARG A 175 -19.952 3.946 8.080 1.00 8.30 H new ATOM 0 HH12 ARG A 175 -18.654 4.827 7.268 1.00 8.30 H new ATOM 0 HH21 ARG A 175 -19.918 4.234 4.027 1.00 8.45 H new ATOM 0 HH22 ARG A 175 -18.635 4.990 4.977 1.00 8.45 H new ATOM 2602 N LEU A 176 -24.274 0.994 3.477 1.00 5.22 N ATOM 2603 CA LEU A 176 -24.416 1.800 2.275 1.00 6.05 C ATOM 2604 C LEU A 176 -24.574 3.263 2.652 1.00 6.72 C ATOM 2605 O LEU A 176 -25.663 3.636 3.130 1.00 7.14 O ATOM 2606 CB LEU A 176 -25.615 1.340 1.431 1.00 6.60 C ATOM 2607 CG LEU A 176 -25.449 0.004 0.691 1.00 7.19 C ATOM 2608 CD1 LEU A 176 -24.171 -0.003 -0.133 1.00 7.69 C ATOM 2609 CD2 LEU A 176 -25.469 -1.171 1.660 1.00 7.60 C ATOM 2610 OXT LEU A 176 -23.606 4.031 2.492 1.00 7.13 O ATOM 0 H LEU A 176 -25.150 0.797 3.962 1.00 5.22 H new ATOM 0 HA LEU A 176 -23.516 1.675 1.673 1.00 6.05 H new ATOM 0 HB2 LEU A 176 -26.485 1.265 2.083 1.00 6.60 H new ATOM 0 HB3 LEU A 176 -25.834 2.114 0.696 1.00 6.60 H new ATOM 0 HG LEU A 176 -26.295 -0.106 0.013 1.00 7.19 H new ATOM 0 HD11 LEU A 176 -24.075 -0.959 -0.648 1.00 7.69 H new ATOM 0 HD12 LEU A 176 -24.207 0.802 -0.867 1.00 7.69 H new ATOM 0 HD13 LEU A 176 -23.314 0.143 0.524 1.00 7.69 H new ATOM 0 HD21 LEU A 176 -25.349 -2.102 1.106 1.00 7.60 H new ATOM 0 HD22 LEU A 176 -24.653 -1.067 2.375 1.00 7.60 H new ATOM 0 HD23 LEU A 176 -26.419 -1.186 2.194 1.00 7.60 H new TER 2622 LEU A 176