USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 973 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 95 THR OG1 : rot 127:sc= 0.986 USER MOD Set 1.2: A 128 ASN : amide:sc= 1.72 K(o=2.7,f=-1.5) USER MOD Set 2.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 94 TYR OH : rot 128:sc= 1.08 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.328 K(o=0.27,f=-0.93) USER MOD Set 3.2: A 38 ASN : amide:sc= -0.0618 K(o=0.27,f=-4.2!) USER MOD Set 4.1: A 11 HIS : +bothHN:sc= 2.04 K(o=4.3,f=-8.5!) USER MOD Set 4.2: A 54 ASN :FLIP amide:sc= 0.25! F(o=3.1,f=4.3!) USER MOD Set 4.3: A 123 TYR OH : rot 43:sc= 2.04 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.62 F(o=-1.7!,f=-0.62) USER MOD Single : A 1 GLN N :NH3+ -169:sc= 0.758 (180deg=0.437) USER MOD Single : A 2 ASN : amide:sc= -0.769 K(o=-0.77,f=-1.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 5 GLN : amide:sc= 0.895 K(o=0.89,f=-5.8!) USER MOD Single : A 7 TYR OH : rot -119:sc= 1.12 USER MOD Single : A 12 ASN : amide:sc= 0.721 K(o=0.72,f=-0.049) USER MOD Single : A 17 GLN : amide:sc= 0.878 K(o=0.88,f=-0.18) USER MOD Single : A 23 MET CE :methyl 170:sc= -1.22 (180deg=-1.88) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 31 SER OG : rot -55:sc= 1.15 USER MOD Single : A 35 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.3) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 48 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=-0.27) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.103 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 69 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.5!) USER MOD Single : A 73 SER OG : rot 48:sc= 0.679 USER MOD Single : A 77 SER OG : rot -13:sc= 1.03 USER MOD Single : A 79 ASN : amide:sc= -0.0857 X(o=-0.086,f=0) USER MOD Single : A 80 TYR OH : rot 19:sc= 1.24 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 83 ASN : amide:sc= 1.06 K(o=1.1,f=0.35) USER MOD Single : A 84 GLN : amide:sc= 0.383 K(o=0.38,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.36) USER MOD Single : A 96 GLN : amide:sc= -2.19 K(o=-2.2,f=-7.6!) USER MOD Single : A 101 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 102 SER OG : rot 41:sc= 0.181 USER MOD Single : A 113 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.7!) USER MOD Single : A 114 ASN : amide:sc= 0.275 K(o=0.28,f=-10!) USER MOD Single : A 120 SER OG : rot 112:sc= 0.346 USER MOD Single : A 122 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.9!) USER MOD Single : A 132 GLN : amide:sc= 0.3 K(o=0.3,f=-7.5!) USER MOD Single : A 135 TYR OH : rot 130:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.354 9.177 6.614 1.00 1.81 N ATOM 2 CA GLN A 1 -5.138 8.678 5.239 1.00 1.30 C ATOM 3 C GLN A 1 -3.775 7.974 5.056 1.00 1.27 C ATOM 4 O GLN A 1 -3.248 7.939 3.943 1.00 1.32 O ATOM 5 CB GLN A 1 -5.376 9.758 4.189 1.00 1.17 C ATOM 6 CG GLN A 1 -6.859 10.124 4.131 1.00 1.81 C ATOM 7 CD GLN A 1 -7.188 11.216 5.135 1.00 2.79 C ATOM 8 OE1 GLN A 1 -7.941 10.880 6.168 1.00 3.19 O flip ATOM 9 NE2 GLN A 1 -6.673 12.324 5.044 1.00 4.39 N flip ATOM 0 H1 GLN A 1 -6.346 9.469 6.726 1.00 1.81 H new ATOM 0 H2 GLN A 1 -5.136 8.422 7.295 1.00 1.81 H new ATOM 0 H3 GLN A 1 -4.732 9.992 6.789 1.00 1.81 H new ATOM 0 HA GLN A 1 -5.894 7.909 5.079 1.00 1.30 H new ATOM 0 HB2 GLN A 1 -4.785 10.643 4.427 1.00 1.17 H new ATOM 0 HB3 GLN A 1 -5.043 9.405 3.213 1.00 1.17 H new ATOM 0 HG2 GLN A 1 -7.116 10.459 3.126 1.00 1.81 H new ATOM 0 HG3 GLN A 1 -7.464 9.241 4.337 1.00 1.81 H new ATOM 0 HE21 GLN A 1 -6.097 12.554 4.234 1.00 4.39 H new ATOM 0 HE22 GLN A 1 -6.820 13.017 5.778 1.00 4.39 H new ATOM 20 N ASN A 2 -3.181 7.393 6.098 1.00 1.49 N ATOM 21 CA ASN A 2 -2.020 6.506 5.967 1.00 1.71 C ATOM 22 C ASN A 2 -1.858 5.527 7.134 1.00 1.67 C ATOM 23 O ASN A 2 -0.824 4.861 7.233 1.00 2.76 O ATOM 24 CB ASN A 2 -0.722 7.287 5.731 1.00 2.34 C ATOM 25 CG ASN A 2 -0.236 8.054 6.957 1.00 2.29 C ATOM 26 OD1 ASN A 2 -0.978 8.297 7.905 1.00 2.82 O ATOM 27 ND2 ASN A 2 1.017 8.475 6.917 1.00 3.17 N ATOM 0 H ASN A 2 -3.491 7.523 7.061 1.00 1.49 H new ATOM 0 HA ASN A 2 -2.224 5.903 5.082 1.00 1.71 H new ATOM 0 HB2 ASN A 2 0.057 6.593 5.415 1.00 2.34 H new ATOM 0 HB3 ASN A 2 -0.875 7.989 4.911 1.00 2.34 H new ATOM 0 HD21 ASN A 2 1.397 9.021 7.691 1.00 3.17 H new ATOM 0 HD22 ASN A 2 1.604 8.254 6.113 1.00 3.17 H new ATOM 34 N SER A 3 -2.862 5.402 8.001 1.00 1.09 N ATOM 35 CA SER A 3 -2.842 4.451 9.099 1.00 0.99 C ATOM 36 C SER A 3 -3.057 3.039 8.527 1.00 0.95 C ATOM 37 O SER A 3 -3.411 2.918 7.352 1.00 1.12 O ATOM 38 CB SER A 3 -3.963 4.856 10.070 1.00 1.07 C ATOM 39 OG SER A 3 -4.058 6.269 10.141 1.00 1.68 O ATOM 0 H SER A 3 -3.713 5.962 7.957 1.00 1.09 H new ATOM 0 HA SER A 3 -1.892 4.451 9.633 1.00 0.99 H new ATOM 0 HB2 SER A 3 -4.912 4.436 9.738 1.00 1.07 H new ATOM 0 HB3 SER A 3 -3.763 4.447 11.060 1.00 1.07 H new ATOM 0 HG SER A 3 -4.776 6.518 10.760 1.00 1.68 H new ATOM 45 N PRO A 4 -2.884 1.963 9.310 1.00 0.94 N ATOM 46 CA PRO A 4 -3.186 0.612 8.860 1.00 1.03 C ATOM 47 C PRO A 4 -4.548 0.549 8.170 1.00 0.74 C ATOM 48 O PRO A 4 -4.663 0.182 7.000 1.00 0.67 O ATOM 49 CB PRO A 4 -3.116 -0.261 10.119 1.00 1.25 C ATOM 50 CG PRO A 4 -2.090 0.469 10.984 1.00 1.32 C ATOM 51 CD PRO A 4 -2.368 1.941 10.669 1.00 1.06 C ATOM 0 HA PRO A 4 -2.479 0.260 8.109 1.00 1.03 H new ATOM 0 HB2 PRO A 4 -4.084 -0.333 10.615 1.00 1.25 H new ATOM 0 HB3 PRO A 4 -2.799 -1.278 9.888 1.00 1.25 H new ATOM 0 HG2 PRO A 4 -2.224 0.250 12.043 1.00 1.32 H new ATOM 0 HG3 PRO A 4 -1.069 0.186 10.727 1.00 1.32 H new ATOM 0 HD2 PRO A 4 -3.090 2.361 11.369 1.00 1.06 H new ATOM 0 HD3 PRO A 4 -1.459 2.537 10.752 1.00 1.06 H new ATOM 59 N GLN A 5 -5.566 0.985 8.910 1.00 0.60 N ATOM 60 CA GLN A 5 -6.958 1.073 8.508 1.00 0.50 C ATOM 61 C GLN A 5 -7.076 1.820 7.179 1.00 0.41 C ATOM 62 O GLN A 5 -7.872 1.437 6.338 1.00 0.47 O ATOM 63 CB GLN A 5 -7.729 1.869 9.560 1.00 0.62 C ATOM 64 CG GLN A 5 -8.202 1.077 10.789 1.00 2.14 C ATOM 65 CD GLN A 5 -7.104 0.893 11.837 1.00 3.22 C ATOM 66 OE1 GLN A 5 -5.949 1.264 11.626 1.00 3.99 O ATOM 67 NE2 GLN A 5 -7.442 0.365 13.001 1.00 4.47 N ATOM 0 H GLN A 5 -5.425 1.306 9.868 1.00 0.60 H new ATOM 0 HA GLN A 5 -7.359 0.065 8.406 1.00 0.50 H new ATOM 0 HB2 GLN A 5 -7.098 2.689 9.902 1.00 0.62 H new ATOM 0 HB3 GLN A 5 -8.601 2.316 9.082 1.00 0.62 H new ATOM 0 HG2 GLN A 5 -9.048 1.592 11.243 1.00 2.14 H new ATOM 0 HG3 GLN A 5 -8.559 0.098 10.469 1.00 2.14 H new ATOM 0 HE21 GLN A 5 -8.402 0.061 13.164 1.00 4.47 H new ATOM 0 HE22 GLN A 5 -6.743 0.261 13.736 1.00 4.47 H new ATOM 76 N ASP A 6 -6.335 2.914 6.988 1.00 0.53 N ATOM 77 CA ASP A 6 -6.487 3.743 5.797 1.00 0.66 C ATOM 78 C ASP A 6 -6.196 2.916 4.558 1.00 0.60 C ATOM 79 O ASP A 6 -6.992 2.890 3.622 1.00 0.69 O ATOM 80 CB ASP A 6 -5.559 4.966 5.837 1.00 0.96 C ATOM 81 CG ASP A 6 -6.119 6.078 6.680 1.00 1.23 C ATOM 82 OD1 ASP A 6 -7.281 6.465 6.444 1.00 1.48 O ATOM 83 OD2 ASP A 6 -5.331 6.662 7.452 1.00 2.58 O ATOM 0 H ASP A 6 -5.626 3.243 7.643 1.00 0.53 H new ATOM 0 HA ASP A 6 -7.515 4.105 5.767 1.00 0.66 H new ATOM 0 HB2 ASP A 6 -4.587 4.669 6.230 1.00 0.96 H new ATOM 0 HB3 ASP A 6 -5.395 5.329 4.822 1.00 0.96 H new ATOM 88 N TYR A 7 -5.041 2.254 4.538 1.00 0.54 N ATOM 89 CA TYR A 7 -4.722 1.369 3.436 1.00 0.51 C ATOM 90 C TYR A 7 -5.759 0.249 3.367 1.00 0.44 C ATOM 91 O TYR A 7 -6.367 0.011 2.319 1.00 0.47 O ATOM 92 CB TYR A 7 -3.305 0.822 3.618 1.00 0.54 C ATOM 93 CG TYR A 7 -2.224 1.816 3.250 1.00 0.63 C ATOM 94 CD1 TYR A 7 -1.835 1.934 1.906 1.00 1.86 C ATOM 95 CD2 TYR A 7 -1.562 2.574 4.233 1.00 2.04 C ATOM 96 CE1 TYR A 7 -0.827 2.829 1.533 1.00 2.18 C ATOM 97 CE2 TYR A 7 -0.477 3.392 3.870 1.00 2.05 C ATOM 98 CZ TYR A 7 -0.107 3.514 2.521 1.00 1.32 C ATOM 99 OH TYR A 7 0.852 4.400 2.149 1.00 1.79 O ATOM 0 H TYR A 7 -4.326 2.316 5.262 1.00 0.54 H new ATOM 0 HA TYR A 7 -4.753 1.912 2.491 1.00 0.51 H new ATOM 0 HB2 TYR A 7 -3.171 0.519 4.656 1.00 0.54 H new ATOM 0 HB3 TYR A 7 -3.188 -0.073 3.007 1.00 0.54 H new ATOM 0 HD1 TYR A 7 -2.318 1.328 1.154 1.00 1.86 H new ATOM 0 HD2 TYR A 7 -1.886 2.528 5.262 1.00 2.04 H new ATOM 0 HE1 TYR A 7 -0.605 2.991 0.489 1.00 2.18 H new ATOM 0 HE2 TYR A 7 0.073 3.927 4.630 1.00 2.05 H new ATOM 0 HH TYR A 7 1.718 4.113 2.506 1.00 1.79 H new ATOM 109 N LEU A 8 -5.931 -0.454 4.484 1.00 0.38 N ATOM 110 CA LEU A 8 -6.799 -1.615 4.595 1.00 0.33 C ATOM 111 C LEU A 8 -8.198 -1.349 4.045 1.00 0.29 C ATOM 112 O LEU A 8 -8.742 -2.188 3.334 1.00 0.33 O ATOM 113 CB LEU A 8 -6.837 -2.090 6.056 1.00 0.34 C ATOM 114 CG LEU A 8 -5.696 -3.069 6.383 1.00 0.44 C ATOM 115 CD1 LEU A 8 -5.775 -3.445 7.864 1.00 0.51 C ATOM 116 CD2 LEU A 8 -5.748 -4.368 5.563 1.00 0.52 C ATOM 0 H LEU A 8 -5.457 -0.223 5.357 1.00 0.38 H new ATOM 0 HA LEU A 8 -6.386 -2.412 3.977 1.00 0.33 H new ATOM 0 HB2 LEU A 8 -6.772 -1.226 6.718 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -7.794 -2.572 6.254 1.00 0.34 H new ATOM 0 HG LEU A 8 -4.766 -2.558 6.133 1.00 0.44 H new ATOM 0 HD11 LEU A 8 -4.970 -4.139 8.107 1.00 0.51 H new ATOM 0 HD12 LEU A 8 -5.675 -2.547 8.473 1.00 0.51 H new ATOM 0 HD13 LEU A 8 -6.736 -3.918 8.069 1.00 0.51 H new ATOM 0 HD21 LEU A 8 -4.914 -5.010 5.846 1.00 0.52 H new ATOM 0 HD22 LEU A 8 -6.687 -4.885 5.760 1.00 0.52 H new ATOM 0 HD23 LEU A 8 -5.680 -4.131 4.501 1.00 0.52 H new ATOM 128 N ALA A 9 -8.769 -0.186 4.325 1.00 0.29 N ATOM 129 CA ALA A 9 -10.126 0.165 3.958 1.00 0.30 C ATOM 130 C ALA A 9 -10.308 0.117 2.448 1.00 0.28 C ATOM 131 O ALA A 9 -11.274 -0.464 1.953 1.00 0.38 O ATOM 132 CB ALA A 9 -10.437 1.572 4.464 1.00 0.37 C ATOM 0 H ALA A 9 -8.284 0.557 4.828 1.00 0.29 H new ATOM 0 HA ALA A 9 -10.808 -0.555 4.411 1.00 0.30 H new ATOM 0 HB1 ALA A 9 -11.457 1.840 4.190 1.00 0.37 H new ATOM 0 HB2 ALA A 9 -10.334 1.600 5.549 1.00 0.37 H new ATOM 0 HB3 ALA A 9 -9.742 2.282 4.015 1.00 0.37 H new ATOM 138 N VAL A 10 -9.393 0.753 1.717 1.00 0.26 N ATOM 139 CA VAL A 10 -9.477 0.869 0.268 1.00 0.27 C ATOM 140 C VAL A 10 -9.229 -0.512 -0.342 1.00 0.27 C ATOM 141 O VAL A 10 -9.928 -0.912 -1.272 1.00 0.28 O ATOM 142 CB VAL A 10 -8.499 1.942 -0.248 1.00 0.32 C ATOM 143 CG1 VAL A 10 -8.728 2.287 -1.728 1.00 0.46 C ATOM 144 CG2 VAL A 10 -8.661 3.254 0.521 1.00 0.43 C ATOM 0 H VAL A 10 -8.570 1.203 2.118 1.00 0.26 H new ATOM 0 HA VAL A 10 -10.470 1.201 -0.036 1.00 0.27 H new ATOM 0 HB VAL A 10 -7.507 1.512 -0.108 1.00 0.32 H new ATOM 0 HG11 VAL A 10 -8.012 3.048 -2.039 1.00 0.46 H new ATOM 0 HG12 VAL A 10 -8.593 1.392 -2.335 1.00 0.46 H new ATOM 0 HG13 VAL A 10 -9.741 2.666 -1.861 1.00 0.46 H new ATOM 0 HG21 VAL A 10 -7.958 3.992 0.134 1.00 0.43 H new ATOM 0 HG22 VAL A 10 -9.679 3.624 0.399 1.00 0.43 H new ATOM 0 HG23 VAL A 10 -8.462 3.083 1.579 1.00 0.43 H new ATOM 154 N HIS A 11 -8.264 -1.262 0.204 1.00 0.27 N ATOM 155 CA HIS A 11 -8.045 -2.647 -0.199 1.00 0.28 C ATOM 156 C HIS A 11 -9.326 -3.456 -0.038 1.00 0.28 C ATOM 157 O HIS A 11 -9.727 -4.189 -0.937 1.00 0.32 O ATOM 158 CB HIS A 11 -6.936 -3.299 0.635 1.00 0.32 C ATOM 159 CG HIS A 11 -5.550 -2.859 0.266 1.00 0.39 C ATOM 160 ND1 HIS A 11 -4.986 -1.640 0.548 1.00 0.51 N ATOM 161 CD2 HIS A 11 -4.613 -3.612 -0.386 1.00 0.47 C ATOM 162 CE1 HIS A 11 -3.730 -1.658 0.080 1.00 0.67 C ATOM 163 NE2 HIS A 11 -3.461 -2.836 -0.505 1.00 0.66 N ATOM 0 H HIS A 11 -7.625 -0.928 0.926 1.00 0.27 H new ATOM 0 HA HIS A 11 -7.742 -2.639 -1.246 1.00 0.28 H new ATOM 0 HB2 HIS A 11 -7.108 -3.074 1.688 1.00 0.32 H new ATOM 0 HB3 HIS A 11 -7.003 -4.381 0.525 1.00 0.32 H new ATOM 0 HD1 HIS A 11 -5.440 -0.862 1.027 1.00 0.51 H new ATOM 0 HD2 HIS A 11 -4.742 -4.623 -0.743 1.00 0.47 H new ATOM 0 HE1 HIS A 11 -3.031 -0.839 0.162 1.00 0.67 H new ATOM 0 HE2 HIS A 11 -2.585 -3.110 -0.950 1.00 0.66 H new ATOM 171 N ASN A 12 -9.938 -3.359 1.137 1.00 0.31 N ATOM 172 CA ASN A 12 -11.123 -4.126 1.477 1.00 0.35 C ATOM 173 C ASN A 12 -12.243 -3.749 0.520 1.00 0.34 C ATOM 174 O ASN A 12 -12.890 -4.629 -0.035 1.00 0.43 O ATOM 175 CB ASN A 12 -11.559 -3.890 2.926 1.00 0.49 C ATOM 176 CG ASN A 12 -10.907 -4.851 3.912 1.00 0.65 C ATOM 177 OD1 ASN A 12 -11.594 -5.651 4.542 1.00 1.95 O ATOM 178 ND2 ASN A 12 -9.601 -4.754 4.118 1.00 1.14 N ATOM 0 H ASN A 12 -9.621 -2.740 1.883 1.00 0.31 H new ATOM 0 HA ASN A 12 -10.889 -5.186 1.383 1.00 0.35 H new ATOM 0 HB2 ASN A 12 -11.315 -2.866 3.210 1.00 0.49 H new ATOM 0 HB3 ASN A 12 -12.642 -3.990 2.994 1.00 0.49 H new ATOM 0 HD21 ASN A 12 -9.148 -5.350 4.811 1.00 1.14 H new ATOM 0 HD22 ASN A 12 -9.049 -4.083 3.584 1.00 1.14 H new ATOM 185 N ASP A 13 -12.442 -2.448 0.294 1.00 0.36 N ATOM 186 CA ASP A 13 -13.393 -1.938 -0.688 1.00 0.39 C ATOM 187 C ASP A 13 -13.177 -2.611 -2.034 1.00 0.39 C ATOM 188 O ASP A 13 -14.070 -3.236 -2.595 1.00 0.44 O ATOM 189 CB ASP A 13 -13.271 -0.411 -0.824 1.00 0.44 C ATOM 190 CG ASP A 13 -14.599 0.305 -0.880 1.00 0.57 C ATOM 191 OD1 ASP A 13 -15.403 0.090 0.045 1.00 1.75 O ATOM 192 OD2 ASP A 13 -14.776 1.164 -1.774 1.00 1.83 O ATOM 0 H ASP A 13 -11.941 -1.714 0.795 1.00 0.36 H new ATOM 0 HA ASP A 13 -14.400 -2.169 -0.341 1.00 0.39 H new ATOM 0 HB2 ASP A 13 -12.697 -0.026 0.018 1.00 0.44 H new ATOM 0 HB3 ASP A 13 -12.706 -0.180 -1.727 1.00 0.44 H new ATOM 197 N ALA A 14 -11.978 -2.459 -2.578 1.00 0.37 N ATOM 198 CA ALA A 14 -11.647 -2.961 -3.896 1.00 0.42 C ATOM 199 C ALA A 14 -11.859 -4.474 -3.977 1.00 0.42 C ATOM 200 O ALA A 14 -12.417 -4.955 -4.960 1.00 0.56 O ATOM 201 CB ALA A 14 -10.212 -2.557 -4.212 1.00 0.52 C ATOM 0 H ALA A 14 -11.207 -1.981 -2.112 1.00 0.37 H new ATOM 0 HA ALA A 14 -12.309 -2.526 -4.645 1.00 0.42 H new ATOM 0 HB1 ALA A 14 -9.940 -2.925 -5.201 1.00 0.52 H new ATOM 0 HB2 ALA A 14 -10.127 -1.470 -4.193 1.00 0.52 H new ATOM 0 HB3 ALA A 14 -9.541 -2.986 -3.468 1.00 0.52 H new ATOM 207 N ARG A 15 -11.459 -5.220 -2.949 1.00 0.34 N ATOM 208 CA ARG A 15 -11.738 -6.645 -2.866 1.00 0.37 C ATOM 209 C ARG A 15 -13.241 -6.917 -2.825 1.00 0.44 C ATOM 210 O ARG A 15 -13.722 -7.805 -3.523 1.00 0.50 O ATOM 211 CB ARG A 15 -11.012 -7.273 -1.669 1.00 0.32 C ATOM 212 CG ARG A 15 -9.528 -7.474 -2.003 1.00 0.37 C ATOM 213 CD ARG A 15 -8.869 -8.435 -1.012 1.00 0.96 C ATOM 214 NE ARG A 15 -7.489 -8.776 -1.378 1.00 1.36 N ATOM 215 CZ ARG A 15 -6.433 -8.005 -1.100 1.00 2.19 C ATOM 216 NH1 ARG A 15 -6.651 -6.876 -0.429 1.00 2.68 N ATOM 217 NH2 ARG A 15 -5.202 -8.347 -1.484 1.00 3.44 N ATOM 0 H ARG A 15 -10.935 -4.852 -2.155 1.00 0.34 H new ATOM 0 HA ARG A 15 -11.354 -7.118 -3.770 1.00 0.37 H new ATOM 0 HB2 ARG A 15 -11.113 -6.631 -0.794 1.00 0.32 H new ATOM 0 HB3 ARG A 15 -11.469 -8.230 -1.417 1.00 0.32 H new ATOM 0 HG2 ARG A 15 -9.429 -7.866 -3.015 1.00 0.37 H new ATOM 0 HG3 ARG A 15 -9.013 -6.514 -1.981 1.00 0.37 H new ATOM 0 HD2 ARG A 15 -8.876 -7.986 -0.019 1.00 0.96 H new ATOM 0 HD3 ARG A 15 -9.460 -9.349 -0.952 1.00 0.96 H new ATOM 0 HE ARG A 15 -7.326 -9.653 -1.873 1.00 1.36 H new ATOM 0 HH11 ARG A 15 -7.598 -6.626 -0.146 1.00 2.68 H new ATOM 0 HH12 ARG A 15 -5.871 -6.261 -0.198 1.00 2.68 H new ATOM 0 HH21 ARG A 15 -5.051 -9.213 -2.001 1.00 3.44 H new ATOM 0 HH22 ARG A 15 -4.412 -7.742 -1.260 1.00 3.44 H new ATOM 231 N ALA A 16 -13.996 -6.154 -2.042 1.00 0.45 N ATOM 232 CA ALA A 16 -15.441 -6.286 -1.955 1.00 0.52 C ATOM 233 C ALA A 16 -16.050 -6.153 -3.350 1.00 0.56 C ATOM 234 O ALA A 16 -16.906 -6.947 -3.736 1.00 0.67 O ATOM 235 CB ALA A 16 -16.007 -5.254 -0.974 1.00 0.55 C ATOM 0 H ALA A 16 -13.616 -5.420 -1.445 1.00 0.45 H new ATOM 0 HA ALA A 16 -15.703 -7.272 -1.570 1.00 0.52 H new ATOM 0 HB1 ALA A 16 -17.090 -5.362 -0.917 1.00 0.55 H new ATOM 0 HB2 ALA A 16 -15.574 -5.415 0.013 1.00 0.55 H new ATOM 0 HB3 ALA A 16 -15.760 -4.250 -1.320 1.00 0.55 H new ATOM 241 N GLN A 17 -15.547 -5.209 -4.151 1.00 0.54 N ATOM 242 CA GLN A 17 -16.013 -4.994 -5.515 1.00 0.63 C ATOM 243 C GLN A 17 -15.912 -6.241 -6.402 1.00 0.68 C ATOM 244 O GLN A 17 -16.627 -6.321 -7.401 1.00 1.02 O ATOM 245 CB GLN A 17 -15.303 -3.799 -6.165 1.00 0.68 C ATOM 246 CG GLN A 17 -15.435 -2.465 -5.421 1.00 1.06 C ATOM 247 CD GLN A 17 -16.726 -2.300 -4.619 1.00 1.85 C ATOM 248 OE1 GLN A 17 -17.814 -2.134 -5.163 1.00 3.02 O ATOM 249 NE2 GLN A 17 -16.631 -2.347 -3.300 1.00 2.56 N ATOM 0 H GLN A 17 -14.803 -4.573 -3.866 1.00 0.54 H new ATOM 0 HA GLN A 17 -17.076 -4.766 -5.432 1.00 0.63 H new ATOM 0 HB2 GLN A 17 -14.244 -4.037 -6.262 1.00 0.68 H new ATOM 0 HB3 GLN A 17 -15.694 -3.672 -7.174 1.00 0.68 H new ATOM 0 HG2 GLN A 17 -14.588 -2.358 -4.744 1.00 1.06 H new ATOM 0 HG3 GLN A 17 -15.368 -1.653 -6.146 1.00 1.06 H new ATOM 0 HE21 GLN A 17 -15.722 -2.485 -2.859 1.00 2.56 H new ATOM 0 HE22 GLN A 17 -17.467 -2.245 -2.725 1.00 2.56 H new ATOM 258 N VAL A 18 -15.045 -7.198 -6.076 1.00 0.48 N ATOM 259 CA VAL A 18 -14.936 -8.472 -6.783 1.00 0.51 C ATOM 260 C VAL A 18 -15.214 -9.661 -5.850 1.00 0.54 C ATOM 261 O VAL A 18 -15.003 -10.813 -6.232 1.00 0.74 O ATOM 262 CB VAL A 18 -13.567 -8.562 -7.452 1.00 0.53 C ATOM 263 CG1 VAL A 18 -13.495 -7.574 -8.620 1.00 0.68 C ATOM 264 CG2 VAL A 18 -12.413 -8.259 -6.499 1.00 0.49 C ATOM 0 H VAL A 18 -14.388 -7.108 -5.301 1.00 0.48 H new ATOM 0 HA VAL A 18 -15.699 -8.519 -7.560 1.00 0.51 H new ATOM 0 HB VAL A 18 -13.460 -9.591 -7.794 1.00 0.53 H new ATOM 0 HG11 VAL A 18 -12.516 -7.642 -9.094 1.00 0.68 H new ATOM 0 HG12 VAL A 18 -14.269 -7.815 -9.349 1.00 0.68 H new ATOM 0 HG13 VAL A 18 -13.649 -6.561 -8.249 1.00 0.68 H new ATOM 0 HG21 VAL A 18 -11.467 -8.340 -7.035 1.00 0.49 H new ATOM 0 HG22 VAL A 18 -12.522 -7.248 -6.106 1.00 0.49 H new ATOM 0 HG23 VAL A 18 -12.425 -8.972 -5.675 1.00 0.49 H new ATOM 274 N GLY A 19 -15.683 -9.401 -4.629 1.00 0.51 N ATOM 275 CA GLY A 19 -16.009 -10.413 -3.643 1.00 0.55 C ATOM 276 C GLY A 19 -14.806 -11.297 -3.332 1.00 0.56 C ATOM 277 O GLY A 19 -14.924 -12.523 -3.310 1.00 0.81 O ATOM 0 H GLY A 19 -15.849 -8.451 -4.296 1.00 0.51 H new ATOM 0 HA2 GLY A 19 -16.355 -9.933 -2.728 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -16.830 -11.029 -4.010 1.00 0.55 H new ATOM 281 N VAL A 20 -13.645 -10.684 -3.110 1.00 0.47 N ATOM 282 CA VAL A 20 -12.459 -11.388 -2.651 1.00 0.46 C ATOM 283 C VAL A 20 -12.381 -11.261 -1.126 1.00 0.49 C ATOM 284 O VAL A 20 -12.748 -10.225 -0.575 1.00 0.53 O ATOM 285 CB VAL A 20 -11.208 -10.854 -3.364 1.00 0.46 C ATOM 286 CG1 VAL A 20 -9.972 -11.588 -2.848 1.00 0.66 C ATOM 287 CG2 VAL A 20 -11.251 -11.092 -4.880 1.00 0.47 C ATOM 0 H VAL A 20 -13.504 -9.683 -3.245 1.00 0.47 H new ATOM 0 HA VAL A 20 -12.516 -12.448 -2.900 1.00 0.46 H new ATOM 0 HB VAL A 20 -11.172 -9.783 -3.162 1.00 0.46 H new ATOM 0 HG11 VAL A 20 -9.085 -11.208 -3.355 1.00 0.66 H new ATOM 0 HG12 VAL A 20 -9.874 -11.426 -1.775 1.00 0.66 H new ATOM 0 HG13 VAL A 20 -10.074 -12.655 -3.046 1.00 0.66 H new ATOM 0 HG21 VAL A 20 -10.344 -10.696 -5.336 1.00 0.47 H new ATOM 0 HG22 VAL A 20 -11.320 -12.162 -5.079 1.00 0.47 H new ATOM 0 HG23 VAL A 20 -12.120 -10.588 -5.303 1.00 0.47 H new ATOM 297 N GLY A 21 -11.929 -12.316 -0.446 1.00 0.59 N ATOM 298 CA GLY A 21 -11.760 -12.316 0.999 1.00 0.67 C ATOM 299 C GLY A 21 -10.780 -11.231 1.457 1.00 0.66 C ATOM 300 O GLY A 21 -9.871 -10.876 0.706 1.00 0.76 O ATOM 0 H GLY A 21 -11.670 -13.197 -0.890 1.00 0.59 H new ATOM 0 HA2 GLY A 21 -12.726 -12.159 1.478 1.00 0.67 H new ATOM 0 HA3 GLY A 21 -11.399 -13.292 1.323 1.00 0.67 H new ATOM 304 N PRO A 22 -10.961 -10.677 2.663 1.00 0.67 N ATOM 305 CA PRO A 22 -10.199 -9.529 3.124 1.00 0.69 C ATOM 306 C PRO A 22 -8.782 -9.913 3.564 1.00 0.72 C ATOM 307 O PRO A 22 -8.367 -11.068 3.470 1.00 0.94 O ATOM 308 CB PRO A 22 -11.031 -8.957 4.279 1.00 0.80 C ATOM 309 CG PRO A 22 -11.709 -10.195 4.865 1.00 0.87 C ATOM 310 CD PRO A 22 -11.998 -11.033 3.620 1.00 0.77 C ATOM 0 HA PRO A 22 -10.043 -8.797 2.332 1.00 0.69 H new ATOM 0 HB2 PRO A 22 -10.405 -8.454 5.016 1.00 0.80 H new ATOM 0 HB3 PRO A 22 -11.760 -8.227 3.928 1.00 0.80 H new ATOM 0 HG2 PRO A 22 -11.060 -10.720 5.566 1.00 0.87 H new ATOM 0 HG3 PRO A 22 -12.622 -9.941 5.404 1.00 0.87 H new ATOM 0 HD2 PRO A 22 -11.972 -12.098 3.849 1.00 0.77 H new ATOM 0 HD3 PRO A 22 -12.990 -10.817 3.223 1.00 0.77 H new ATOM 318 N MET A 23 -8.050 -8.908 4.043 1.00 0.66 N ATOM 319 CA MET A 23 -6.726 -8.995 4.643 1.00 0.62 C ATOM 320 C MET A 23 -6.741 -8.150 5.909 1.00 0.63 C ATOM 321 O MET A 23 -7.625 -7.297 6.059 1.00 0.81 O ATOM 322 CB MET A 23 -5.674 -8.407 3.696 1.00 0.64 C ATOM 323 CG MET A 23 -6.220 -7.223 2.886 1.00 0.72 C ATOM 324 SD MET A 23 -4.979 -6.190 2.079 1.00 1.22 S ATOM 325 CE MET A 23 -3.885 -7.470 1.445 1.00 0.90 C ATOM 0 H MET A 23 -8.393 -7.948 4.019 1.00 0.66 H new ATOM 0 HA MET A 23 -6.483 -10.037 4.850 1.00 0.62 H new ATOM 0 HB2 MET A 23 -4.809 -8.082 4.274 1.00 0.64 H new ATOM 0 HB3 MET A 23 -5.328 -9.183 3.013 1.00 0.64 H new ATOM 0 HG2 MET A 23 -6.897 -7.609 2.124 1.00 0.72 H new ATOM 0 HG3 MET A 23 -6.813 -6.595 3.550 1.00 0.72 H new ATOM 0 HE1 MET A 23 -3.157 -7.024 0.767 1.00 0.90 H new ATOM 0 HE2 MET A 23 -3.363 -7.947 2.275 1.00 0.90 H new ATOM 0 HE3 MET A 23 -4.471 -8.216 0.908 1.00 0.90 H new ATOM 335 N SER A 24 -5.732 -8.322 6.759 1.00 0.67 N ATOM 336 CA SER A 24 -5.455 -7.453 7.883 1.00 0.76 C ATOM 337 C SER A 24 -4.010 -6.967 7.774 1.00 0.48 C ATOM 338 O SER A 24 -3.337 -7.217 6.771 1.00 0.51 O ATOM 339 CB SER A 24 -5.878 -8.152 9.189 1.00 1.31 C ATOM 340 OG SER A 24 -4.819 -8.688 9.965 1.00 1.47 O ATOM 0 H SER A 24 -5.070 -9.094 6.676 1.00 0.67 H new ATOM 0 HA SER A 24 -6.050 -6.540 7.883 1.00 0.76 H new ATOM 0 HB2 SER A 24 -6.428 -7.438 9.801 1.00 1.31 H new ATOM 0 HB3 SER A 24 -6.568 -8.958 8.942 1.00 1.31 H new ATOM 0 HG SER A 24 -5.184 -9.108 10.771 1.00 1.47 H new ATOM 346 N TRP A 25 -3.551 -6.216 8.769 1.00 0.42 N ATOM 347 CA TRP A 25 -2.208 -5.658 8.744 1.00 0.36 C ATOM 348 C TRP A 25 -1.212 -6.787 9.014 1.00 0.53 C ATOM 349 O TRP A 25 -1.590 -7.886 9.434 1.00 1.23 O ATOM 350 CB TRP A 25 -2.072 -4.573 9.827 1.00 0.47 C ATOM 351 CG TRP A 25 -1.013 -3.539 9.571 1.00 0.50 C ATOM 352 CD1 TRP A 25 0.043 -3.234 10.358 1.00 0.59 C ATOM 353 CD2 TRP A 25 -0.946 -2.614 8.452 1.00 0.49 C ATOM 354 NE1 TRP A 25 0.734 -2.170 9.809 1.00 0.62 N ATOM 355 CE2 TRP A 25 0.160 -1.735 8.631 1.00 0.56 C ATOM 356 CE3 TRP A 25 -1.750 -2.408 7.320 1.00 0.52 C ATOM 357 CZ2 TRP A 25 0.452 -0.699 7.721 1.00 0.61 C ATOM 358 CZ3 TRP A 25 -1.477 -1.374 6.417 1.00 0.61 C ATOM 359 CH2 TRP A 25 -0.389 -0.506 6.608 1.00 0.63 C ATOM 0 H TRP A 25 -4.091 -5.981 9.602 1.00 0.42 H new ATOM 0 HA TRP A 25 -2.009 -5.207 7.772 1.00 0.36 H new ATOM 0 HB2 TRP A 25 -3.032 -4.067 9.934 1.00 0.47 H new ATOM 0 HB3 TRP A 25 -1.860 -5.058 10.780 1.00 0.47 H new ATOM 0 HD1 TRP A 25 0.306 -3.743 11.274 1.00 0.59 H new ATOM 0 HE1 TRP A 25 1.568 -1.756 10.225 1.00 0.62 H new ATOM 0 HE3 TRP A 25 -2.594 -3.058 7.143 1.00 0.52 H new ATOM 0 HZ2 TRP A 25 1.310 -0.061 7.875 1.00 0.61 H new ATOM 0 HZ3 TRP A 25 -2.116 -1.241 5.556 1.00 0.61 H new ATOM 0 HH2 TRP A 25 -0.200 0.298 5.911 1.00 0.63 H new ATOM 370 N ASP A 26 0.069 -6.483 8.857 1.00 0.46 N ATOM 371 CA ASP A 26 1.174 -7.207 9.446 1.00 0.54 C ATOM 372 C ASP A 26 2.269 -6.187 9.735 1.00 0.63 C ATOM 373 O ASP A 26 2.653 -5.404 8.861 1.00 1.19 O ATOM 374 CB ASP A 26 1.684 -8.305 8.516 1.00 0.68 C ATOM 375 CG ASP A 26 2.947 -8.936 9.063 1.00 1.93 C ATOM 376 OD1 ASP A 26 3.160 -8.893 10.296 1.00 3.20 O ATOM 377 OD2 ASP A 26 3.687 -9.495 8.236 1.00 2.59 O ATOM 0 H ASP A 26 0.373 -5.691 8.291 1.00 0.46 H new ATOM 0 HA ASP A 26 0.855 -7.706 10.361 1.00 0.54 H new ATOM 0 HB2 ASP A 26 0.916 -9.068 8.393 1.00 0.68 H new ATOM 0 HB3 ASP A 26 1.880 -7.888 7.528 1.00 0.68 H new ATOM 382 N ALA A 27 2.766 -6.180 10.967 1.00 0.63 N ATOM 383 CA ALA A 27 3.805 -5.262 11.375 1.00 0.73 C ATOM 384 C ALA A 27 5.067 -5.532 10.575 1.00 0.67 C ATOM 385 O ALA A 27 5.755 -4.580 10.227 1.00 0.69 O ATOM 386 CB ALA A 27 4.099 -5.412 12.861 1.00 0.98 C ATOM 0 H ALA A 27 2.456 -6.812 11.705 1.00 0.63 H new ATOM 0 HA ALA A 27 3.464 -4.244 11.188 1.00 0.73 H new ATOM 0 HB1 ALA A 27 4.884 -4.713 13.149 1.00 0.98 H new ATOM 0 HB2 ALA A 27 3.196 -5.200 13.434 1.00 0.98 H new ATOM 0 HB3 ALA A 27 4.428 -6.431 13.066 1.00 0.98 H new ATOM 392 N ASN A 28 5.373 -6.798 10.271 1.00 0.67 N ATOM 393 CA ASN A 28 6.618 -7.131 9.592 1.00 0.72 C ATOM 394 C ASN A 28 6.601 -6.495 8.208 1.00 0.57 C ATOM 395 O ASN A 28 7.500 -5.725 7.866 1.00 0.54 O ATOM 396 CB ASN A 28 6.813 -8.646 9.460 1.00 0.84 C ATOM 397 CG ASN A 28 6.938 -9.367 10.796 1.00 1.08 C ATOM 398 OD1 ASN A 28 5.947 -9.736 11.420 1.00 2.15 O ATOM 399 ND2 ASN A 28 8.157 -9.614 11.252 1.00 2.10 N ATOM 0 H ASN A 28 4.778 -7.598 10.484 1.00 0.67 H new ATOM 0 HA ASN A 28 7.448 -6.747 10.186 1.00 0.72 H new ATOM 0 HB2 ASN A 28 5.971 -9.065 8.909 1.00 0.84 H new ATOM 0 HB3 ASN A 28 7.708 -8.838 8.869 1.00 0.84 H new ATOM 0 HD21 ASN A 28 8.281 -10.116 12.131 1.00 2.10 H new ATOM 0 HD22 ASN A 28 8.972 -9.302 10.724 1.00 2.10 H new ATOM 406 N LEU A 29 5.567 -6.770 7.410 1.00 0.52 N ATOM 407 CA LEU A 29 5.431 -6.138 6.110 1.00 0.44 C ATOM 408 C LEU A 29 5.460 -4.621 6.234 1.00 0.40 C ATOM 409 O LEU A 29 6.123 -3.960 5.443 1.00 0.40 O ATOM 410 CB LEU A 29 4.135 -6.568 5.428 1.00 0.46 C ATOM 411 CG LEU A 29 4.169 -7.983 4.845 1.00 0.62 C ATOM 412 CD1 LEU A 29 2.782 -8.254 4.266 1.00 1.00 C ATOM 413 CD2 LEU A 29 5.180 -8.106 3.700 1.00 0.58 C ATOM 0 H LEU A 29 4.820 -7.423 7.645 1.00 0.52 H new ATOM 0 HA LEU A 29 6.276 -6.459 5.501 1.00 0.44 H new ATOM 0 HB2 LEU A 29 3.320 -6.504 6.149 1.00 0.46 H new ATOM 0 HB3 LEU A 29 3.908 -5.863 4.628 1.00 0.46 H new ATOM 0 HG LEU A 29 4.454 -8.684 5.629 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.756 -9.256 3.837 1.00 1.00 H new ATOM 0 HD12 LEU A 29 2.036 -8.179 5.058 1.00 1.00 H new ATOM 0 HD13 LEU A 29 2.562 -7.521 3.490 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.172 -9.126 3.315 1.00 0.58 H new ATOM 0 HD22 LEU A 29 4.911 -7.415 2.901 1.00 0.58 H new ATOM 0 HD23 LEU A 29 6.177 -7.865 4.068 1.00 0.58 H new ATOM 425 N ALA A 30 4.743 -4.049 7.200 1.00 0.42 N ATOM 426 CA ALA A 30 4.725 -2.603 7.346 1.00 0.43 C ATOM 427 C ALA A 30 6.135 -2.065 7.586 1.00 0.43 C ATOM 428 O ALA A 30 6.546 -1.099 6.941 1.00 0.44 O ATOM 429 CB ALA A 30 3.767 -2.207 8.463 1.00 0.49 C ATOM 0 H ALA A 30 4.178 -4.558 7.880 1.00 0.42 H new ATOM 0 HA ALA A 30 4.366 -2.154 6.420 1.00 0.43 H new ATOM 0 HB1 ALA A 30 3.758 -1.122 8.567 1.00 0.49 H new ATOM 0 HB2 ALA A 30 2.763 -2.557 8.222 1.00 0.49 H new ATOM 0 HB3 ALA A 30 4.094 -2.659 9.400 1.00 0.49 H new ATOM 435 N SER A 31 6.878 -2.704 8.492 1.00 0.49 N ATOM 436 CA SER A 31 8.225 -2.315 8.856 1.00 0.54 C ATOM 437 C SER A 31 9.065 -2.248 7.584 1.00 0.47 C ATOM 438 O SER A 31 9.764 -1.264 7.341 1.00 0.51 O ATOM 439 CB SER A 31 8.792 -3.291 9.909 1.00 0.69 C ATOM 440 OG SER A 31 9.428 -4.428 9.352 1.00 1.05 O ATOM 0 H SER A 31 6.544 -3.524 8.999 1.00 0.49 H new ATOM 0 HA SER A 31 8.239 -1.329 9.320 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.506 -2.758 10.537 1.00 0.69 H new ATOM 0 HB3 SER A 31 7.981 -3.622 10.558 1.00 0.69 H new ATOM 0 HG SER A 31 8.808 -4.887 8.748 1.00 1.05 H new ATOM 446 N ARG A 32 8.942 -3.300 6.773 1.00 0.49 N ATOM 447 CA ARG A 32 9.670 -3.527 5.544 1.00 0.55 C ATOM 448 C ARG A 32 9.298 -2.501 4.483 1.00 0.54 C ATOM 449 O ARG A 32 10.178 -1.871 3.916 1.00 0.60 O ATOM 450 CB ARG A 32 9.376 -4.961 5.088 1.00 0.61 C ATOM 451 CG ARG A 32 10.034 -5.367 3.779 1.00 1.06 C ATOM 452 CD ARG A 32 10.237 -6.885 3.785 1.00 1.71 C ATOM 453 NE ARG A 32 11.064 -7.352 2.665 1.00 2.81 N ATOM 454 CZ ARG A 32 12.386 -7.546 2.745 1.00 3.22 C ATOM 455 NH1 ARG A 32 13.098 -6.900 3.668 1.00 3.48 N ATOM 456 NH2 ARG A 32 12.964 -8.417 1.922 1.00 4.31 N ATOM 0 H ARG A 32 8.289 -4.057 6.978 1.00 0.49 H new ATOM 0 HA ARG A 32 10.741 -3.408 5.709 1.00 0.55 H new ATOM 0 HB2 ARG A 32 9.701 -5.648 5.869 1.00 0.61 H new ATOM 0 HB3 ARG A 32 8.297 -5.080 4.987 1.00 0.61 H new ATOM 0 HG2 ARG A 32 9.411 -5.072 2.935 1.00 1.06 H new ATOM 0 HG3 ARG A 32 10.991 -4.858 3.662 1.00 1.06 H new ATOM 0 HD2 ARG A 32 10.704 -7.181 4.724 1.00 1.71 H new ATOM 0 HD3 ARG A 32 9.265 -7.377 3.743 1.00 1.71 H new ATOM 0 HE ARG A 32 10.604 -7.539 1.774 1.00 2.81 H new ATOM 0 HH11 ARG A 32 12.635 -6.259 4.312 1.00 3.48 H new ATOM 0 HH12 ARG A 32 14.105 -7.047 3.730 1.00 3.48 H new ATOM 0 HH21 ARG A 32 12.401 -8.927 1.241 1.00 4.31 H new ATOM 0 HH22 ARG A 32 13.970 -8.575 1.972 1.00 4.31 H new ATOM 470 N ALA A 33 8.015 -2.321 4.187 1.00 0.53 N ATOM 471 CA ALA A 33 7.562 -1.374 3.178 1.00 0.57 C ATOM 472 C ALA A 33 8.015 0.037 3.540 1.00 0.63 C ATOM 473 O ALA A 33 8.487 0.791 2.688 1.00 0.73 O ATOM 474 CB ALA A 33 6.041 -1.440 3.059 1.00 0.59 C ATOM 0 H ALA A 33 7.258 -2.831 4.643 1.00 0.53 H new ATOM 0 HA ALA A 33 8.000 -1.635 2.215 1.00 0.57 H new ATOM 0 HB1 ALA A 33 5.704 -0.730 2.303 1.00 0.59 H new ATOM 0 HB2 ALA A 33 5.742 -2.447 2.770 1.00 0.59 H new ATOM 0 HB3 ALA A 33 5.590 -1.189 4.019 1.00 0.59 H new ATOM 480 N GLN A 34 7.851 0.396 4.812 1.00 0.63 N ATOM 481 CA GLN A 34 8.252 1.691 5.319 1.00 0.73 C ATOM 482 C GLN A 34 9.771 1.857 5.263 1.00 0.69 C ATOM 483 O GLN A 34 10.253 2.913 4.859 1.00 0.74 O ATOM 484 CB GLN A 34 7.685 1.858 6.733 1.00 0.90 C ATOM 485 CG GLN A 34 8.068 3.198 7.365 1.00 1.00 C ATOM 486 CD GLN A 34 7.486 4.355 6.578 1.00 1.32 C ATOM 487 OE1 GLN A 34 6.348 4.758 6.814 1.00 2.47 O ATOM 488 NE2 GLN A 34 8.231 4.893 5.627 1.00 1.62 N ATOM 0 H GLN A 34 7.434 -0.212 5.517 1.00 0.63 H new ATOM 0 HA GLN A 34 7.846 2.484 4.691 1.00 0.73 H new ATOM 0 HB2 GLN A 34 6.599 1.774 6.697 1.00 0.90 H new ATOM 0 HB3 GLN A 34 8.047 1.046 7.364 1.00 0.90 H new ATOM 0 HG2 GLN A 34 7.708 3.235 8.393 1.00 1.00 H new ATOM 0 HG3 GLN A 34 9.154 3.289 7.404 1.00 1.00 H new ATOM 0 HE21 GLN A 34 9.171 4.538 5.454 1.00 1.62 H new ATOM 0 HE22 GLN A 34 7.865 5.663 5.067 1.00 1.62 H new ATOM 497 N ASN A 35 10.518 0.838 5.688 1.00 0.68 N ATOM 498 CA ASN A 35 11.977 0.847 5.632 1.00 0.73 C ATOM 499 C ASN A 35 12.409 1.028 4.190 1.00 0.74 C ATOM 500 O ASN A 35 13.189 1.918 3.906 1.00 0.89 O ATOM 501 CB ASN A 35 12.585 -0.446 6.210 1.00 0.76 C ATOM 502 CG ASN A 35 12.992 -0.301 7.673 1.00 0.95 C ATOM 503 OD1 ASN A 35 12.604 0.640 8.360 1.00 1.80 O ATOM 504 ND2 ASN A 35 13.762 -1.236 8.208 1.00 1.87 N ATOM 0 H ASN A 35 10.126 -0.018 6.081 1.00 0.68 H new ATOM 0 HA ASN A 35 12.341 1.673 6.244 1.00 0.73 H new ATOM 0 HB2 ASN A 35 11.862 -1.256 6.117 1.00 0.76 H new ATOM 0 HB3 ASN A 35 13.457 -0.728 5.620 1.00 0.76 H new ATOM 0 HD21 ASN A 35 14.032 -1.174 9.190 1.00 1.87 H new ATOM 0 HD22 ASN A 35 14.085 -2.018 7.638 1.00 1.87 H new ATOM 511 N TYR A 36 11.882 0.214 3.283 1.00 0.66 N ATOM 512 CA TYR A 36 12.163 0.277 1.862 1.00 0.74 C ATOM 513 C TYR A 36 11.988 1.713 1.364 1.00 0.74 C ATOM 514 O TYR A 36 12.928 2.307 0.839 1.00 0.81 O ATOM 515 CB TYR A 36 11.247 -0.723 1.140 1.00 0.79 C ATOM 516 CG TYR A 36 11.376 -0.773 -0.367 1.00 0.92 C ATOM 517 CD1 TYR A 36 12.643 -0.879 -0.966 1.00 1.63 C ATOM 518 CD2 TYR A 36 10.221 -0.841 -1.169 1.00 2.35 C ATOM 519 CE1 TYR A 36 12.753 -0.998 -2.358 1.00 1.74 C ATOM 520 CE2 TYR A 36 10.333 -0.919 -2.566 1.00 2.55 C ATOM 521 CZ TYR A 36 11.602 -0.976 -3.162 1.00 1.53 C ATOM 522 OH TYR A 36 11.707 -0.957 -4.521 1.00 1.96 O ATOM 0 H TYR A 36 11.228 -0.529 3.528 1.00 0.66 H new ATOM 0 HA TYR A 36 13.195 -0.002 1.651 1.00 0.74 H new ATOM 0 HB2 TYR A 36 11.447 -1.719 1.535 1.00 0.79 H new ATOM 0 HB3 TYR A 36 10.213 -0.483 1.388 1.00 0.79 H new ATOM 0 HD1 TYR A 36 13.532 -0.869 -0.353 1.00 1.63 H new ATOM 0 HD2 TYR A 36 9.245 -0.833 -0.707 1.00 2.35 H new ATOM 0 HE1 TYR A 36 13.726 -1.107 -2.814 1.00 1.74 H new ATOM 0 HE2 TYR A 36 9.445 -0.935 -3.180 1.00 2.55 H new ATOM 0 HH TYR A 36 10.811 -0.944 -4.918 1.00 1.96 H new ATOM 532 N ALA A 37 10.800 2.291 1.572 1.00 0.72 N ATOM 533 CA ALA A 37 10.541 3.680 1.218 1.00 0.75 C ATOM 534 C ALA A 37 11.636 4.589 1.786 1.00 0.73 C ATOM 535 O ALA A 37 12.221 5.400 1.071 1.00 0.83 O ATOM 536 CB ALA A 37 9.163 4.113 1.737 1.00 0.76 C ATOM 0 H ALA A 37 10.002 1.810 1.987 1.00 0.72 H new ATOM 0 HA ALA A 37 10.547 3.769 0.132 1.00 0.75 H new ATOM 0 HB1 ALA A 37 8.982 5.153 1.466 1.00 0.76 H new ATOM 0 HB2 ALA A 37 8.392 3.483 1.293 1.00 0.76 H new ATOM 0 HB3 ALA A 37 9.134 4.011 2.822 1.00 0.76 H new ATOM 542 N ASN A 38 11.900 4.443 3.081 1.00 0.68 N ATOM 543 CA ASN A 38 12.855 5.251 3.825 1.00 0.76 C ATOM 544 C ASN A 38 14.247 5.170 3.210 1.00 0.78 C ATOM 545 O ASN A 38 14.870 6.197 2.959 1.00 0.87 O ATOM 546 CB ASN A 38 12.885 4.825 5.294 1.00 0.85 C ATOM 547 CG ASN A 38 11.798 5.470 6.136 1.00 1.13 C ATOM 548 OD1 ASN A 38 10.833 6.036 5.628 1.00 2.19 O ATOM 549 ND2 ASN A 38 11.906 5.352 7.449 1.00 1.21 N ATOM 0 H ASN A 38 11.440 3.738 3.657 1.00 0.68 H new ATOM 0 HA ASN A 38 12.531 6.290 3.772 1.00 0.76 H new ATOM 0 HB2 ASN A 38 12.783 3.741 5.352 1.00 0.85 H new ATOM 0 HB3 ASN A 38 13.858 5.076 5.717 1.00 0.85 H new ATOM 0 HD21 ASN A 38 11.181 5.734 8.057 1.00 1.21 H new ATOM 0 HD22 ASN A 38 12.714 4.879 7.854 1.00 1.21 H new ATOM 556 N SER A 39 14.772 3.975 2.954 1.00 0.77 N ATOM 557 CA SER A 39 16.098 3.820 2.387 1.00 0.88 C ATOM 558 C SER A 39 16.148 4.290 0.933 1.00 0.95 C ATOM 559 O SER A 39 17.239 4.533 0.414 1.00 1.09 O ATOM 560 CB SER A 39 16.594 2.385 2.572 1.00 0.97 C ATOM 561 OG SER A 39 15.547 1.439 2.460 1.00 1.72 O ATOM 0 H SER A 39 14.289 3.095 3.134 1.00 0.77 H new ATOM 0 HA SER A 39 16.787 4.468 2.930 1.00 0.88 H new ATOM 0 HB2 SER A 39 17.359 2.168 1.826 1.00 0.97 H new ATOM 0 HB3 SER A 39 17.066 2.289 3.550 1.00 0.97 H new ATOM 0 HG SER A 39 15.907 0.536 2.583 1.00 1.72 H new ATOM 567 N ARG A 40 15.001 4.458 0.273 1.00 1.10 N ATOM 568 CA ARG A 40 14.934 5.122 -1.017 1.00 1.39 C ATOM 569 C ARG A 40 14.649 6.632 -0.885 1.00 1.47 C ATOM 570 O ARG A 40 14.593 7.309 -1.907 1.00 1.82 O ATOM 571 CB ARG A 40 13.909 4.428 -1.930 1.00 1.63 C ATOM 572 CG ARG A 40 14.200 2.946 -2.203 1.00 1.65 C ATOM 573 CD ARG A 40 13.380 2.448 -3.411 1.00 2.20 C ATOM 574 NE ARG A 40 13.846 3.037 -4.680 1.00 2.52 N ATOM 575 CZ ARG A 40 15.060 2.780 -5.197 1.00 2.94 C ATOM 576 NH1 ARG A 40 15.732 1.699 -4.806 1.00 3.23 N ATOM 577 NH2 ARG A 40 15.620 3.630 -6.052 1.00 3.82 N ATOM 0 H ARG A 40 14.098 4.136 0.622 1.00 1.10 H new ATOM 0 HA ARG A 40 15.917 5.036 -1.481 1.00 1.39 H new ATOM 0 HB2 ARG A 40 12.921 4.514 -1.477 1.00 1.63 H new ATOM 0 HB3 ARG A 40 13.871 4.959 -2.881 1.00 1.63 H new ATOM 0 HG2 ARG A 40 15.264 2.808 -2.396 1.00 1.65 H new ATOM 0 HG3 ARG A 40 13.957 2.353 -1.321 1.00 1.65 H new ATOM 0 HD2 ARG A 40 13.446 1.362 -3.470 1.00 2.20 H new ATOM 0 HD3 ARG A 40 12.329 2.695 -3.262 1.00 2.20 H new ATOM 0 HE ARG A 40 13.222 3.665 -5.186 1.00 2.52 H new ATOM 0 HH11 ARG A 40 15.325 1.068 -4.116 1.00 3.23 H new ATOM 0 HH12 ARG A 40 16.653 1.502 -5.197 1.00 3.23 H new ATOM 0 HH21 ARG A 40 15.128 4.483 -6.319 1.00 3.82 H new ATOM 0 HH22 ARG A 40 16.541 3.429 -6.441 1.00 3.82 H new ATOM 591 N ALA A 41 14.482 7.206 0.310 1.00 1.65 N ATOM 592 CA ALA A 41 14.176 8.627 0.496 1.00 1.77 C ATOM 593 C ALA A 41 15.376 9.508 0.120 1.00 1.98 C ATOM 594 O ALA A 41 16.092 10.035 0.970 1.00 3.08 O ATOM 595 CB ALA A 41 13.719 8.887 1.932 1.00 1.90 C ATOM 0 H ALA A 41 14.557 6.690 1.187 1.00 1.65 H new ATOM 0 HA ALA A 41 13.359 8.894 -0.174 1.00 1.77 H new ATOM 0 HB1 ALA A 41 13.495 9.946 2.056 1.00 1.90 H new ATOM 0 HB2 ALA A 41 12.825 8.300 2.141 1.00 1.90 H new ATOM 0 HB3 ALA A 41 14.511 8.600 2.624 1.00 1.90 H new ATOM 601 N GLY A 42 15.584 9.671 -1.183 1.00 2.01 N ATOM 602 CA GLY A 42 16.797 10.220 -1.761 1.00 1.95 C ATOM 603 C GLY A 42 16.915 9.758 -3.211 1.00 1.50 C ATOM 604 O GLY A 42 17.172 10.562 -4.103 1.00 1.56 O ATOM 0 H GLY A 42 14.889 9.415 -1.884 1.00 2.01 H new ATOM 0 HA2 GLY A 42 16.776 11.309 -1.714 1.00 1.95 H new ATOM 0 HA3 GLY A 42 17.666 9.893 -1.191 1.00 1.95 H new ATOM 608 N ASP A 43 16.654 8.473 -3.451 1.00 1.39 N ATOM 609 CA ASP A 43 16.728 7.775 -4.717 1.00 1.50 C ATOM 610 C ASP A 43 15.348 7.151 -4.851 1.00 1.65 C ATOM 611 O ASP A 43 15.206 5.944 -4.991 1.00 3.15 O ATOM 612 CB ASP A 43 17.818 6.683 -4.626 1.00 2.14 C ATOM 613 CG ASP A 43 17.955 5.875 -5.901 1.00 2.33 C ATOM 614 OD1 ASP A 43 18.031 6.490 -6.981 1.00 2.90 O ATOM 615 OD2 ASP A 43 18.120 4.635 -5.814 1.00 3.31 O ATOM 0 H ASP A 43 16.362 7.850 -2.698 1.00 1.39 H new ATOM 0 HA ASP A 43 16.982 8.411 -5.565 1.00 1.50 H new ATOM 0 HB2 ASP A 43 18.775 7.151 -4.394 1.00 2.14 H new ATOM 0 HB3 ASP A 43 17.584 6.011 -3.800 1.00 2.14 H new ATOM 620 N CYS A 44 14.298 7.956 -4.734 1.00 1.33 N ATOM 621 CA CYS A 44 12.997 7.378 -4.391 1.00 1.29 C ATOM 622 C CYS A 44 12.477 6.645 -5.605 1.00 1.17 C ATOM 623 O CYS A 44 12.135 5.474 -5.519 1.00 2.05 O ATOM 624 CB CYS A 44 12.028 8.433 -3.847 1.00 1.63 C ATOM 625 SG CYS A 44 10.733 9.002 -4.973 1.00 2.34 S ATOM 0 H CYS A 44 14.312 8.968 -4.864 1.00 1.33 H new ATOM 0 HA CYS A 44 13.102 6.663 -3.575 1.00 1.29 H new ATOM 0 HB2 CYS A 44 11.550 8.028 -2.955 1.00 1.63 H new ATOM 0 HB3 CYS A 44 12.610 9.299 -3.532 1.00 1.63 H new ATOM 630 N ASN A 45 12.601 7.318 -6.742 1.00 1.86 N ATOM 631 CA ASN A 45 12.483 6.772 -8.089 1.00 2.04 C ATOM 632 C ASN A 45 11.474 5.626 -8.236 1.00 1.76 C ATOM 633 O ASN A 45 11.825 4.470 -8.015 1.00 2.09 O ATOM 634 CB ASN A 45 13.869 6.357 -8.607 1.00 2.52 C ATOM 635 CG ASN A 45 14.046 6.861 -10.023 1.00 3.32 C ATOM 636 OD1 ASN A 45 13.477 6.324 -10.974 1.00 3.95 O ATOM 637 ND2 ASN A 45 14.776 7.953 -10.178 1.00 4.24 N ATOM 0 H ASN A 45 12.798 8.319 -6.749 1.00 1.86 H new ATOM 0 HA ASN A 45 12.076 7.576 -8.703 1.00 2.04 H new ATOM 0 HB2 ASN A 45 14.648 6.766 -7.963 1.00 2.52 H new ATOM 0 HB3 ASN A 45 13.970 5.272 -8.580 1.00 2.52 H new ATOM 0 HD21 ASN A 45 14.878 8.371 -11.103 1.00 4.24 H new ATOM 0 HD22 ASN A 45 15.236 8.377 -9.373 1.00 4.24 H new ATOM 644 N LEU A 46 10.235 5.916 -8.647 1.00 2.12 N ATOM 645 CA LEU A 46 9.229 4.923 -9.023 1.00 2.02 C ATOM 646 C LEU A 46 9.764 3.875 -10.008 1.00 2.42 C ATOM 647 O LEU A 46 9.578 3.975 -11.221 1.00 3.02 O ATOM 648 CB LEU A 46 7.999 5.651 -9.592 1.00 2.25 C ATOM 649 CG LEU A 46 6.878 5.890 -8.571 1.00 1.77 C ATOM 650 CD1 LEU A 46 5.962 4.666 -8.497 1.00 2.29 C ATOM 651 CD2 LEU A 46 7.361 6.258 -7.162 1.00 1.90 C ATOM 0 H LEU A 46 9.897 6.875 -8.729 1.00 2.12 H new ATOM 0 HA LEU A 46 8.948 4.367 -8.129 1.00 2.02 H new ATOM 0 HB2 LEU A 46 8.316 6.612 -9.998 1.00 2.25 H new ATOM 0 HB3 LEU A 46 7.600 5.070 -10.423 1.00 2.25 H new ATOM 0 HG LEU A 46 6.335 6.761 -8.938 1.00 1.77 H new ATOM 0 HD11 LEU A 46 5.171 4.847 -7.770 1.00 2.29 H new ATOM 0 HD12 LEU A 46 5.520 4.483 -9.476 1.00 2.29 H new ATOM 0 HD13 LEU A 46 6.542 3.795 -8.192 1.00 2.29 H new ATOM 0 HD21 LEU A 46 6.500 6.408 -6.510 1.00 1.90 H new ATOM 0 HD22 LEU A 46 7.979 5.452 -6.767 1.00 1.90 H new ATOM 0 HD23 LEU A 46 7.947 7.176 -7.206 1.00 1.90 H new ATOM 663 N ILE A 47 10.378 2.836 -9.459 1.00 2.27 N ATOM 664 CA ILE A 47 10.909 1.663 -10.113 1.00 2.57 C ATOM 665 C ILE A 47 10.386 0.525 -9.245 1.00 2.49 C ATOM 666 O ILE A 47 10.677 0.513 -8.054 1.00 2.79 O ATOM 667 CB ILE A 47 12.450 1.734 -10.078 1.00 2.75 C ATOM 668 CG1 ILE A 47 12.972 2.951 -10.865 1.00 3.00 C ATOM 669 CG2 ILE A 47 13.039 0.428 -10.619 1.00 2.98 C ATOM 670 CD1 ILE A 47 14.495 3.083 -10.797 1.00 3.39 C ATOM 0 H ILE A 47 10.527 2.796 -8.451 1.00 2.27 H new ATOM 0 HA ILE A 47 10.621 1.552 -11.158 1.00 2.57 H new ATOM 0 HB ILE A 47 12.771 1.861 -9.044 1.00 2.75 H new ATOM 0 HG12 ILE A 47 12.664 2.865 -11.907 1.00 3.00 H new ATOM 0 HG13 ILE A 47 12.514 3.858 -10.471 1.00 3.00 H new ATOM 0 HG21 ILE A 47 14.127 0.481 -10.593 1.00 2.98 H new ATOM 0 HG22 ILE A 47 12.702 -0.406 -10.003 1.00 2.98 H new ATOM 0 HG23 ILE A 47 12.708 0.278 -11.646 1.00 2.98 H new ATOM 0 HD11 ILE A 47 14.810 3.956 -11.368 1.00 3.39 H new ATOM 0 HD12 ILE A 47 14.804 3.198 -9.758 1.00 3.39 H new ATOM 0 HD13 ILE A 47 14.957 2.189 -11.216 1.00 3.39 H new ATOM 682 N HIS A 48 9.565 -0.370 -9.795 1.00 2.84 N ATOM 683 CA HIS A 48 8.951 -1.448 -9.032 1.00 2.99 C ATOM 684 C HIS A 48 9.346 -2.795 -9.606 1.00 3.33 C ATOM 685 O HIS A 48 9.158 -3.019 -10.801 1.00 4.50 O ATOM 686 CB HIS A 48 7.423 -1.329 -9.028 1.00 3.79 C ATOM 687 CG HIS A 48 6.799 -0.992 -10.357 1.00 5.59 C ATOM 688 ND1 HIS A 48 6.512 -1.873 -11.385 1.00 6.55 N ATOM 689 CD2 HIS A 48 6.392 0.257 -10.735 1.00 6.99 C ATOM 690 CE1 HIS A 48 5.915 -1.166 -12.359 1.00 8.29 C ATOM 691 NE2 HIS A 48 5.842 0.125 -11.991 1.00 8.59 N ATOM 0 H HIS A 48 9.309 -0.365 -10.782 1.00 2.84 H new ATOM 0 HA HIS A 48 9.310 -1.368 -8.006 1.00 2.99 H new ATOM 0 HB2 HIS A 48 7.003 -2.271 -8.677 1.00 3.79 H new ATOM 0 HB3 HIS A 48 7.137 -0.564 -8.307 1.00 3.79 H new ATOM 0 HD2 HIS A 48 6.484 1.168 -10.162 1.00 6.99 H new ATOM 0 HE1 HIS A 48 5.551 -1.571 -13.291 1.00 8.29 H new ATOM 0 HE2 HIS A 48 5.445 0.881 -12.549 1.00 8.59 H new ATOM 700 N SER A 49 9.776 -3.704 -8.736 1.00 2.86 N ATOM 701 CA SER A 49 9.811 -5.128 -9.014 1.00 3.51 C ATOM 702 C SER A 49 8.458 -5.557 -9.585 1.00 4.10 C ATOM 703 O SER A 49 8.354 -6.189 -10.636 1.00 5.22 O ATOM 704 CB SER A 49 10.123 -5.875 -7.708 1.00 4.05 C ATOM 705 OG SER A 49 9.298 -5.410 -6.643 1.00 4.23 O ATOM 0 H SER A 49 10.114 -3.463 -7.804 1.00 2.86 H new ATOM 0 HA SER A 49 10.584 -5.363 -9.746 1.00 3.51 H new ATOM 0 HB2 SER A 49 9.969 -6.945 -7.851 1.00 4.05 H new ATOM 0 HB3 SER A 49 11.172 -5.736 -7.447 1.00 4.05 H new ATOM 0 HG SER A 49 9.514 -5.902 -5.823 1.00 4.23 H new ATOM 711 N GLY A 50 7.397 -5.159 -8.889 1.00 3.98 N ATOM 712 CA GLY A 50 6.080 -5.733 -9.053 1.00 4.91 C ATOM 713 C GLY A 50 6.012 -6.787 -7.967 1.00 3.37 C ATOM 714 O GLY A 50 6.139 -6.435 -6.799 1.00 3.48 O ATOM 0 H GLY A 50 7.436 -4.419 -8.188 1.00 3.98 H new ATOM 0 HA2 GLY A 50 5.298 -4.983 -8.933 1.00 4.91 H new ATOM 0 HA3 GLY A 50 5.954 -6.170 -10.044 1.00 4.91 H new ATOM 718 N ALA A 51 5.903 -8.064 -8.331 1.00 2.89 N ATOM 719 CA ALA A 51 5.840 -9.139 -7.354 1.00 1.58 C ATOM 720 C ALA A 51 4.837 -8.774 -6.268 1.00 1.64 C ATOM 721 O ALA A 51 3.744 -8.292 -6.557 1.00 3.40 O ATOM 722 CB ALA A 51 7.249 -9.485 -6.852 1.00 2.11 C ATOM 0 H ALA A 51 5.857 -8.376 -9.301 1.00 2.89 H new ATOM 0 HA ALA A 51 5.470 -10.060 -7.804 1.00 1.58 H new ATOM 0 HB1 ALA A 51 7.187 -10.291 -6.121 1.00 2.11 H new ATOM 0 HB2 ALA A 51 7.867 -9.803 -7.692 1.00 2.11 H new ATOM 0 HB3 ALA A 51 7.695 -8.606 -6.386 1.00 2.11 H new ATOM 728 N GLY A 52 5.216 -8.984 -5.019 1.00 0.87 N ATOM 729 CA GLY A 52 4.420 -8.619 -3.867 1.00 0.61 C ATOM 730 C GLY A 52 4.779 -7.214 -3.383 1.00 0.80 C ATOM 731 O GLY A 52 5.035 -7.041 -2.193 1.00 1.82 O ATOM 0 H GLY A 52 6.104 -9.422 -4.776 1.00 0.87 H new ATOM 0 HA2 GLY A 52 3.361 -8.661 -4.123 1.00 0.61 H new ATOM 0 HA3 GLY A 52 4.583 -9.338 -3.064 1.00 0.61 H new ATOM 735 N GLU A 53 4.819 -6.240 -4.294 1.00 0.57 N ATOM 736 CA GLU A 53 4.872 -4.810 -4.017 1.00 0.56 C ATOM 737 C GLU A 53 3.922 -4.075 -4.968 1.00 0.59 C ATOM 738 O GLU A 53 3.543 -4.606 -6.016 1.00 0.94 O ATOM 739 CB GLU A 53 6.304 -4.277 -4.199 1.00 0.75 C ATOM 740 CG GLU A 53 7.019 -4.061 -2.854 1.00 1.09 C ATOM 741 CD GLU A 53 6.524 -2.822 -2.112 1.00 2.62 C ATOM 742 OE1 GLU A 53 5.773 -2.025 -2.712 1.00 4.05 O ATOM 743 OE2 GLU A 53 6.946 -2.664 -0.947 1.00 3.66 O ATOM 0 H GLU A 53 4.815 -6.441 -5.294 1.00 0.57 H new ATOM 0 HA GLU A 53 4.567 -4.638 -2.985 1.00 0.56 H new ATOM 0 HB2 GLU A 53 6.877 -4.979 -4.804 1.00 0.75 H new ATOM 0 HB3 GLU A 53 6.272 -3.335 -4.747 1.00 0.75 H new ATOM 0 HG2 GLU A 53 6.872 -4.939 -2.225 1.00 1.09 H new ATOM 0 HG3 GLU A 53 8.091 -3.970 -3.028 1.00 1.09 H new ATOM 750 N ASN A 54 3.584 -2.830 -4.638 1.00 0.53 N ATOM 751 CA ASN A 54 3.020 -1.846 -5.556 1.00 0.59 C ATOM 752 C ASN A 54 3.329 -0.453 -5.013 1.00 0.53 C ATOM 753 O ASN A 54 3.451 -0.258 -3.810 1.00 0.71 O ATOM 754 CB ASN A 54 1.528 -2.052 -5.864 1.00 0.98 C ATOM 755 CG ASN A 54 0.584 -1.913 -4.680 1.00 1.15 C ATOM 756 OD1 ASN A 54 -0.637 -2.414 -4.822 1.00 2.75 O flip ATOM 757 ND2 ASN A 54 0.918 -1.355 -3.651 1.00 1.22 N flip ATOM 0 H ASN A 54 3.700 -2.468 -3.692 1.00 0.53 H new ATOM 0 HA ASN A 54 3.493 -1.975 -6.529 1.00 0.59 H new ATOM 0 HB2 ASN A 54 1.231 -1.333 -6.628 1.00 0.98 H new ATOM 0 HB3 ASN A 54 1.399 -3.045 -6.293 1.00 0.98 H new ATOM 0 HD21 ASN A 54 1.860 -0.976 -3.559 1.00 1.22 H new ATOM 0 HD22 ASN A 54 0.255 -1.267 -2.881 1.00 1.22 H new ATOM 764 N LEU A 55 3.534 0.508 -5.918 1.00 0.59 N ATOM 765 CA LEU A 55 4.049 1.821 -5.555 1.00 0.67 C ATOM 766 C LEU A 55 3.106 2.929 -6.007 1.00 0.72 C ATOM 767 O LEU A 55 2.448 2.790 -7.047 1.00 0.73 O ATOM 768 CB LEU A 55 5.402 2.078 -6.230 1.00 0.84 C ATOM 769 CG LEU A 55 6.483 1.005 -6.051 1.00 0.86 C ATOM 770 CD1 LEU A 55 7.757 1.484 -6.756 1.00 1.06 C ATOM 771 CD2 LEU A 55 6.811 0.737 -4.585 1.00 0.88 C ATOM 0 H LEU A 55 3.348 0.394 -6.914 1.00 0.59 H new ATOM 0 HA LEU A 55 4.149 1.828 -4.470 1.00 0.67 H new ATOM 0 HB2 LEU A 55 5.228 2.209 -7.298 1.00 0.84 H new ATOM 0 HB3 LEU A 55 5.795 3.022 -5.852 1.00 0.84 H new ATOM 0 HG LEU A 55 6.104 0.076 -6.477 1.00 0.86 H new ATOM 0 HD11 LEU A 55 8.540 0.735 -6.641 1.00 1.06 H new ATOM 0 HD12 LEU A 55 7.552 1.635 -7.816 1.00 1.06 H new ATOM 0 HD13 LEU A 55 8.086 2.424 -6.313 1.00 1.06 H new ATOM 0 HD21 LEU A 55 7.582 -0.031 -4.519 1.00 0.88 H new ATOM 0 HD22 LEU A 55 7.172 1.654 -4.119 1.00 0.88 H new ATOM 0 HD23 LEU A 55 5.914 0.396 -4.068 1.00 0.88 H new ATOM 783 N ALA A 56 3.108 4.050 -5.286 1.00 0.81 N ATOM 784 CA ALA A 56 2.648 5.352 -5.757 1.00 0.73 C ATOM 785 C ALA A 56 3.789 6.342 -5.536 1.00 0.66 C ATOM 786 O ALA A 56 4.550 6.182 -4.580 1.00 0.73 O ATOM 787 CB ALA A 56 1.417 5.830 -4.983 1.00 0.69 C ATOM 0 H ALA A 56 3.443 4.075 -4.323 1.00 0.81 H new ATOM 0 HA ALA A 56 2.369 5.278 -6.808 1.00 0.73 H new ATOM 0 HB1 ALA A 56 1.104 6.803 -5.362 1.00 0.69 H new ATOM 0 HB2 ALA A 56 0.606 5.113 -5.110 1.00 0.69 H new ATOM 0 HB3 ALA A 56 1.663 5.915 -3.925 1.00 0.69 H new ATOM 793 N LYS A 57 3.902 7.354 -6.402 1.00 0.78 N ATOM 794 CA LYS A 57 4.690 8.531 -6.062 1.00 0.71 C ATOM 795 C LYS A 57 3.809 9.457 -5.226 1.00 0.94 C ATOM 796 O LYS A 57 2.805 9.012 -4.680 1.00 2.11 O ATOM 797 CB LYS A 57 5.268 9.227 -7.307 1.00 1.36 C ATOM 798 CG LYS A 57 4.244 9.793 -8.309 1.00 2.10 C ATOM 799 CD LYS A 57 4.040 8.860 -9.510 1.00 3.15 C ATOM 800 CE LYS A 57 5.219 8.879 -10.498 1.00 2.77 C ATOM 801 NZ LYS A 57 5.053 9.863 -11.589 1.00 3.79 N ATOM 0 H LYS A 57 3.466 7.379 -7.324 1.00 0.78 H new ATOM 0 HA LYS A 57 5.563 8.236 -5.480 1.00 0.71 H new ATOM 0 HB2 LYS A 57 5.910 10.043 -6.976 1.00 1.36 H new ATOM 0 HB3 LYS A 57 5.904 8.515 -7.833 1.00 1.36 H new ATOM 0 HG2 LYS A 57 3.290 9.948 -7.804 1.00 2.10 H new ATOM 0 HG3 LYS A 57 4.581 10.768 -8.660 1.00 2.10 H new ATOM 0 HD2 LYS A 57 3.892 7.842 -9.150 1.00 3.15 H new ATOM 0 HD3 LYS A 57 3.129 9.148 -10.035 1.00 3.15 H new ATOM 0 HE2 LYS A 57 6.137 9.102 -9.954 1.00 2.77 H new ATOM 0 HE3 LYS A 57 5.338 7.885 -10.930 1.00 2.77 H new ATOM 0 HZ1 LYS A 57 5.128 9.380 -12.507 1.00 3.79 H new ATOM 0 HZ2 LYS A 57 4.119 10.314 -11.510 1.00 3.79 H new ATOM 0 HZ3 LYS A 57 5.795 10.588 -11.518 1.00 3.79 H new ATOM 815 N GLY A 58 4.122 10.752 -5.195 1.00 0.69 N ATOM 816 CA GLY A 58 3.202 11.728 -4.668 1.00 1.12 C ATOM 817 C GLY A 58 3.473 13.146 -5.144 1.00 0.91 C ATOM 818 O GLY A 58 3.649 13.379 -6.341 1.00 2.18 O ATOM 0 H GLY A 58 5.005 11.137 -5.530 1.00 0.69 H new ATOM 0 HA2 GLY A 58 2.187 11.447 -4.951 1.00 1.12 H new ATOM 0 HA3 GLY A 58 3.247 11.705 -3.579 1.00 1.12 H new ATOM 822 N GLY A 59 3.485 14.097 -4.212 1.00 1.17 N ATOM 823 CA GLY A 59 3.588 15.518 -4.499 1.00 1.37 C ATOM 824 C GLY A 59 4.064 16.254 -3.251 1.00 1.28 C ATOM 825 O GLY A 59 5.205 16.073 -2.840 1.00 2.58 O ATOM 0 H GLY A 59 3.422 13.892 -3.215 1.00 1.17 H new ATOM 0 HA2 GLY A 59 4.285 15.685 -5.321 1.00 1.37 H new ATOM 0 HA3 GLY A 59 2.621 15.907 -4.817 1.00 1.37 H new ATOM 829 N GLY A 60 3.208 17.052 -2.624 1.00 1.17 N ATOM 830 CA GLY A 60 3.584 17.883 -1.490 1.00 2.03 C ATOM 831 C GLY A 60 3.308 17.148 -0.191 1.00 2.33 C ATOM 832 O GLY A 60 4.120 17.195 0.732 1.00 3.49 O ATOM 0 H GLY A 60 2.228 17.140 -2.891 1.00 1.17 H new ATOM 0 HA2 GLY A 60 4.641 18.141 -1.553 1.00 2.03 H new ATOM 0 HA3 GLY A 60 3.025 18.819 -1.513 1.00 2.03 H new ATOM 836 N ASP A 61 2.173 16.456 -0.115 1.00 1.98 N ATOM 837 CA ASP A 61 1.659 15.861 1.116 1.00 2.21 C ATOM 838 C ASP A 61 0.951 14.538 0.848 1.00 1.94 C ATOM 839 O ASP A 61 0.102 14.097 1.621 1.00 2.31 O ATOM 840 CB ASP A 61 0.673 16.841 1.763 1.00 2.62 C ATOM 841 CG ASP A 61 -0.648 16.837 1.023 1.00 2.65 C ATOM 842 OD1 ASP A 61 -0.624 16.900 -0.227 1.00 2.98 O ATOM 843 OD2 ASP A 61 -1.684 16.659 1.691 1.00 3.15 O ATOM 0 H ASP A 61 1.573 16.290 -0.923 1.00 1.98 H new ATOM 0 HA ASP A 61 2.500 15.662 1.780 1.00 2.21 H new ATOM 0 HB2 ASP A 61 0.512 16.568 2.806 1.00 2.62 H new ATOM 0 HB3 ASP A 61 1.095 17.846 1.758 1.00 2.62 H new ATOM 848 N PHE A 62 1.311 13.894 -0.249 1.00 1.46 N ATOM 849 CA PHE A 62 0.533 12.799 -0.811 1.00 1.12 C ATOM 850 C PHE A 62 0.339 11.662 0.199 1.00 1.08 C ATOM 851 O PHE A 62 1.230 11.404 1.018 1.00 1.52 O ATOM 852 CB PHE A 62 1.224 12.313 -2.073 1.00 0.92 C ATOM 853 CG PHE A 62 0.472 11.246 -2.831 1.00 0.76 C ATOM 854 CD1 PHE A 62 0.704 9.893 -2.538 1.00 1.56 C ATOM 855 CD2 PHE A 62 -0.422 11.595 -3.859 1.00 1.69 C ATOM 856 CE1 PHE A 62 0.060 8.891 -3.278 1.00 1.61 C ATOM 857 CE2 PHE A 62 -1.055 10.588 -4.607 1.00 1.78 C ATOM 858 CZ PHE A 62 -0.815 9.235 -4.319 1.00 1.02 C ATOM 0 H PHE A 62 2.154 14.115 -0.778 1.00 1.46 H new ATOM 0 HA PHE A 62 -0.466 13.158 -1.059 1.00 1.12 H new ATOM 0 HB2 PHE A 62 1.385 13.165 -2.734 1.00 0.92 H new ATOM 0 HB3 PHE A 62 2.208 11.926 -1.807 1.00 0.92 H new ATOM 0 HD1 PHE A 62 1.380 9.623 -1.740 1.00 1.56 H new ATOM 0 HD2 PHE A 62 -0.622 12.635 -4.073 1.00 1.69 H new ATOM 0 HE1 PHE A 62 0.238 7.851 -3.046 1.00 1.61 H new ATOM 0 HE2 PHE A 62 -1.729 10.856 -5.407 1.00 1.78 H new ATOM 0 HZ PHE A 62 -1.302 8.463 -4.896 1.00 1.02 H new ATOM 868 N THR A 63 -0.828 11.021 0.184 1.00 1.10 N ATOM 869 CA THR A 63 -1.244 10.091 1.222 1.00 1.04 C ATOM 870 C THR A 63 -1.219 8.629 0.779 1.00 1.04 C ATOM 871 O THR A 63 -1.183 8.298 -0.402 1.00 1.69 O ATOM 872 CB THR A 63 -2.637 10.486 1.710 1.00 1.00 C ATOM 873 OG1 THR A 63 -3.572 10.528 0.652 1.00 1.00 O ATOM 874 CG2 THR A 63 -2.572 11.819 2.448 1.00 1.30 C ATOM 0 H THR A 63 -1.517 11.137 -0.560 1.00 1.10 H new ATOM 0 HA THR A 63 -0.521 10.161 2.034 1.00 1.04 H new ATOM 0 HB THR A 63 -2.984 9.720 2.404 1.00 1.00 H new ATOM 0 HG1 THR A 63 -4.451 10.782 1.002 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.569 12.093 2.792 1.00 1.30 H new ATOM 0 HG22 THR A 63 -1.904 11.728 3.305 1.00 1.30 H new ATOM 0 HG23 THR A 63 -2.196 12.590 1.775 1.00 1.30 H new ATOM 882 N GLY A 64 -1.281 7.736 1.762 1.00 0.74 N ATOM 883 CA GLY A 64 -1.377 6.314 1.519 1.00 0.62 C ATOM 884 C GLY A 64 -2.749 5.948 0.970 1.00 0.51 C ATOM 885 O GLY A 64 -2.879 5.112 0.083 1.00 0.50 O ATOM 0 H GLY A 64 -1.266 7.987 2.751 1.00 0.74 H new ATOM 0 HA2 GLY A 64 -0.605 6.009 0.813 1.00 0.62 H new ATOM 0 HA3 GLY A 64 -1.195 5.770 2.445 1.00 0.62 H new ATOM 889 N ARG A 65 -3.786 6.602 1.485 1.00 0.53 N ATOM 890 CA ARG A 65 -5.141 6.483 0.971 1.00 0.56 C ATOM 891 C ARG A 65 -5.119 6.785 -0.530 1.00 0.57 C ATOM 892 O ARG A 65 -5.523 5.949 -1.337 1.00 0.57 O ATOM 893 CB ARG A 65 -6.023 7.455 1.764 1.00 0.81 C ATOM 894 CG ARG A 65 -7.501 7.086 1.874 1.00 1.14 C ATOM 895 CD ARG A 65 -7.627 5.895 2.829 1.00 2.29 C ATOM 896 NE ARG A 65 -8.505 6.126 3.990 1.00 3.28 N ATOM 897 CZ ARG A 65 -9.753 5.646 4.094 1.00 3.50 C ATOM 898 NH1 ARG A 65 -10.409 5.208 3.021 1.00 3.31 N ATOM 899 NH2 ARG A 65 -10.364 5.581 5.269 1.00 4.89 N ATOM 0 H ARG A 65 -3.705 7.236 2.280 1.00 0.53 H new ATOM 0 HA ARG A 65 -5.549 5.479 1.092 1.00 0.56 H new ATOM 0 HB2 ARG A 65 -5.616 7.544 2.771 1.00 0.81 H new ATOM 0 HB3 ARG A 65 -5.949 8.440 1.302 1.00 0.81 H new ATOM 0 HG2 ARG A 65 -8.078 7.933 2.245 1.00 1.14 H new ATOM 0 HG3 ARG A 65 -7.903 6.831 0.893 1.00 1.14 H new ATOM 0 HD2 ARG A 65 -8.004 5.038 2.271 1.00 2.29 H new ATOM 0 HD3 ARG A 65 -6.633 5.629 3.189 1.00 2.29 H new ATOM 0 HE ARG A 65 -8.141 6.685 4.762 1.00 3.28 H new ATOM 0 HH11 ARG A 65 -9.963 5.235 2.104 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -11.358 4.846 3.116 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.885 5.899 6.111 1.00 4.89 H new ATOM 0 HH22 ARG A 65 -11.313 5.213 5.330 1.00 4.89 H new ATOM 913 N ALA A 66 -4.578 7.947 -0.903 1.00 0.65 N ATOM 914 CA ALA A 66 -4.383 8.308 -2.298 1.00 0.78 C ATOM 915 C ALA A 66 -3.533 7.267 -3.027 1.00 0.76 C ATOM 916 O ALA A 66 -3.801 6.974 -4.186 1.00 0.81 O ATOM 917 CB ALA A 66 -3.749 9.692 -2.398 1.00 0.93 C ATOM 0 H ALA A 66 -4.265 8.659 -0.243 1.00 0.65 H new ATOM 0 HA ALA A 66 -5.358 8.334 -2.784 1.00 0.78 H new ATOM 0 HB1 ALA A 66 -3.607 9.952 -3.447 1.00 0.93 H new ATOM 0 HB2 ALA A 66 -4.402 10.426 -1.927 1.00 0.93 H new ATOM 0 HB3 ALA A 66 -2.784 9.687 -1.892 1.00 0.93 H new ATOM 923 N ALA A 67 -2.520 6.688 -2.382 1.00 0.74 N ATOM 924 CA ALA A 67 -1.717 5.645 -3.003 1.00 0.78 C ATOM 925 C ALA A 67 -2.585 4.452 -3.406 1.00 0.66 C ATOM 926 O ALA A 67 -2.608 4.081 -4.579 1.00 0.69 O ATOM 927 CB ALA A 67 -0.566 5.220 -2.088 1.00 0.85 C ATOM 0 H ALA A 67 -2.239 6.926 -1.431 1.00 0.74 H new ATOM 0 HA ALA A 67 -1.278 6.053 -3.913 1.00 0.78 H new ATOM 0 HB1 ALA A 67 0.018 4.440 -2.576 1.00 0.85 H new ATOM 0 HB2 ALA A 67 0.074 6.079 -1.885 1.00 0.85 H new ATOM 0 HB3 ALA A 67 -0.969 4.838 -1.150 1.00 0.85 H new ATOM 933 N VAL A 68 -3.333 3.863 -2.469 1.00 0.56 N ATOM 934 CA VAL A 68 -4.209 2.745 -2.818 1.00 0.49 C ATOM 935 C VAL A 68 -5.187 3.181 -3.895 1.00 0.51 C ATOM 936 O VAL A 68 -5.451 2.454 -4.847 1.00 0.50 O ATOM 937 CB VAL A 68 -4.955 2.137 -1.620 1.00 0.42 C ATOM 938 CG1 VAL A 68 -5.596 0.807 -2.053 1.00 0.39 C ATOM 939 CG2 VAL A 68 -4.005 1.824 -0.473 1.00 0.47 C ATOM 0 H VAL A 68 -3.350 4.134 -1.486 1.00 0.56 H new ATOM 0 HA VAL A 68 -3.565 1.949 -3.193 1.00 0.49 H new ATOM 0 HB VAL A 68 -5.699 2.861 -1.290 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -6.128 0.368 -1.209 1.00 0.39 H new ATOM 0 HG12 VAL A 68 -6.296 0.989 -2.868 1.00 0.39 H new ATOM 0 HG13 VAL A 68 -4.819 0.121 -2.389 1.00 0.39 H new ATOM 0 HG21 VAL A 68 -4.566 1.395 0.357 1.00 0.47 H new ATOM 0 HG22 VAL A 68 -3.252 1.111 -0.809 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -3.516 2.741 -0.145 1.00 0.47 H new ATOM 949 N GLN A 69 -5.722 4.383 -3.758 1.00 0.60 N ATOM 950 CA GLN A 69 -6.612 4.939 -4.749 1.00 0.69 C ATOM 951 C GLN A 69 -5.919 5.044 -6.116 1.00 0.77 C ATOM 952 O GLN A 69 -6.568 4.781 -7.126 1.00 0.82 O ATOM 953 CB GLN A 69 -7.153 6.263 -4.204 1.00 0.77 C ATOM 954 CG GLN A 69 -8.102 6.019 -3.018 1.00 0.93 C ATOM 955 CD GLN A 69 -9.528 5.664 -3.422 1.00 1.30 C ATOM 956 OE1 GLN A 69 -9.763 5.013 -4.439 1.00 2.61 O ATOM 957 NE2 GLN A 69 -10.505 6.063 -2.621 1.00 1.91 N ATOM 0 H GLN A 69 -5.549 4.994 -2.959 1.00 0.60 H new ATOM 0 HA GLN A 69 -7.465 4.285 -4.931 1.00 0.69 H new ATOM 0 HB2 GLN A 69 -6.325 6.897 -3.888 1.00 0.77 H new ATOM 0 HB3 GLN A 69 -7.681 6.798 -4.994 1.00 0.77 H new ATOM 0 HG2 GLN A 69 -7.699 5.213 -2.404 1.00 0.93 H new ATOM 0 HG3 GLN A 69 -8.125 6.913 -2.395 1.00 0.93 H new ATOM 0 HE21 GLN A 69 -10.289 6.602 -1.782 1.00 1.91 H new ATOM 0 HE22 GLN A 69 -11.473 5.831 -2.843 1.00 1.91 H new ATOM 966 N LEU A 70 -4.622 5.360 -6.180 1.00 0.82 N ATOM 967 CA LEU A 70 -3.906 5.513 -7.438 1.00 0.93 C ATOM 968 C LEU A 70 -3.782 4.106 -8.032 1.00 0.92 C ATOM 969 O LEU A 70 -3.885 3.898 -9.241 1.00 1.05 O ATOM 970 CB LEU A 70 -2.575 6.236 -7.140 1.00 1.01 C ATOM 971 CG LEU A 70 -1.466 6.274 -8.203 1.00 1.22 C ATOM 972 CD1 LEU A 70 -0.669 4.982 -8.384 1.00 2.77 C ATOM 973 CD2 LEU A 70 -1.997 6.764 -9.546 1.00 1.70 C ATOM 0 H LEU A 70 -4.043 5.516 -5.355 1.00 0.82 H new ATOM 0 HA LEU A 70 -4.408 6.130 -8.183 1.00 0.93 H new ATOM 0 HB2 LEU A 70 -2.817 7.268 -6.887 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -2.151 5.779 -6.246 1.00 1.01 H new ATOM 0 HG LEU A 70 -0.749 6.991 -7.802 1.00 1.22 H new ATOM 0 HD11 LEU A 70 0.085 5.125 -9.158 1.00 2.77 H new ATOM 0 HD12 LEU A 70 -0.180 4.722 -7.445 1.00 2.77 H new ATOM 0 HD13 LEU A 70 -1.343 4.177 -8.678 1.00 2.77 H new ATOM 0 HD21 LEU A 70 -1.186 6.778 -10.274 1.00 1.70 H new ATOM 0 HD22 LEU A 70 -2.784 6.094 -9.892 1.00 1.70 H new ATOM 0 HD23 LEU A 70 -2.401 7.770 -9.432 1.00 1.70 H new ATOM 985 N TRP A 71 -3.608 3.102 -7.176 1.00 0.80 N ATOM 986 CA TRP A 71 -3.589 1.717 -7.610 1.00 0.76 C ATOM 987 C TRP A 71 -4.951 1.339 -8.210 1.00 0.71 C ATOM 988 O TRP A 71 -5.035 0.894 -9.353 1.00 0.86 O ATOM 989 CB TRP A 71 -3.100 0.804 -6.464 1.00 0.71 C ATOM 990 CG TRP A 71 -1.823 1.254 -5.810 1.00 0.76 C ATOM 991 CD1 TRP A 71 -0.939 2.089 -6.392 1.00 0.87 C ATOM 992 CD2 TRP A 71 -1.319 1.053 -4.445 1.00 0.72 C ATOM 993 NE1 TRP A 71 -0.046 2.542 -5.462 1.00 0.83 N ATOM 994 CE2 TRP A 71 -0.184 1.895 -4.259 1.00 0.75 C ATOM 995 CE3 TRP A 71 -1.716 0.290 -3.327 1.00 0.74 C ATOM 996 CZ2 TRP A 71 0.501 1.987 -3.043 1.00 0.73 C ATOM 997 CZ3 TRP A 71 -1.010 0.341 -2.110 1.00 0.78 C ATOM 998 CH2 TRP A 71 0.072 1.219 -1.955 1.00 0.77 C ATOM 0 H TRP A 71 -3.478 3.228 -6.172 1.00 0.80 H new ATOM 0 HA TRP A 71 -2.867 1.572 -8.414 1.00 0.76 H new ATOM 0 HB2 TRP A 71 -3.881 0.745 -5.705 1.00 0.71 H new ATOM 0 HB3 TRP A 71 -2.958 -0.204 -6.855 1.00 0.71 H new ATOM 0 HD1 TRP A 71 -0.937 2.360 -7.438 1.00 0.87 H new ATOM 0 HE1 TRP A 71 0.642 3.274 -5.640 1.00 0.83 H new ATOM 0 HE3 TRP A 71 -2.583 -0.349 -3.407 1.00 0.74 H new ATOM 0 HZ2 TRP A 71 1.352 2.644 -2.945 1.00 0.73 H new ATOM 0 HZ3 TRP A 71 -1.303 -0.300 -1.292 1.00 0.78 H new ATOM 0 HH2 TRP A 71 0.572 1.302 -1.001 1.00 0.77 H new ATOM 1009 N VAL A 72 -6.026 1.579 -7.466 1.00 0.65 N ATOM 1010 CA VAL A 72 -7.394 1.268 -7.861 1.00 0.63 C ATOM 1011 C VAL A 72 -7.847 2.090 -9.085 1.00 0.70 C ATOM 1012 O VAL A 72 -8.875 1.787 -9.696 1.00 0.71 O ATOM 1013 CB VAL A 72 -8.296 1.397 -6.614 1.00 0.63 C ATOM 1014 CG1 VAL A 72 -9.796 1.269 -6.902 1.00 0.68 C ATOM 1015 CG2 VAL A 72 -7.934 0.308 -5.593 1.00 0.55 C ATOM 0 H VAL A 72 -5.966 2.009 -6.543 1.00 0.65 H new ATOM 0 HA VAL A 72 -7.469 0.240 -8.214 1.00 0.63 H new ATOM 0 HB VAL A 72 -8.114 2.402 -6.235 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -10.355 1.372 -5.972 1.00 0.68 H new ATOM 0 HG12 VAL A 72 -10.101 2.051 -7.597 1.00 0.68 H new ATOM 0 HG13 VAL A 72 -10.000 0.293 -7.342 1.00 0.68 H new ATOM 0 HG21 VAL A 72 -8.574 0.405 -4.716 1.00 0.55 H new ATOM 0 HG22 VAL A 72 -8.080 -0.675 -6.042 1.00 0.55 H new ATOM 0 HG23 VAL A 72 -6.891 0.420 -5.296 1.00 0.55 H new ATOM 1025 N SER A 73 -7.096 3.111 -9.502 1.00 0.82 N ATOM 1026 CA SER A 73 -7.391 3.856 -10.718 1.00 0.95 C ATOM 1027 C SER A 73 -7.479 2.997 -11.989 1.00 0.88 C ATOM 1028 O SER A 73 -8.075 3.457 -12.961 1.00 0.99 O ATOM 1029 CB SER A 73 -6.415 5.024 -10.870 1.00 1.25 C ATOM 1030 OG SER A 73 -6.574 5.890 -9.761 1.00 2.00 O ATOM 0 H SER A 73 -6.269 3.441 -9.005 1.00 0.82 H new ATOM 0 HA SER A 73 -8.400 4.251 -10.600 1.00 0.95 H new ATOM 0 HB2 SER A 73 -5.390 4.657 -10.920 1.00 1.25 H new ATOM 0 HB3 SER A 73 -6.607 5.560 -11.800 1.00 1.25 H new ATOM 0 HG SER A 73 -6.569 5.366 -8.933 1.00 2.00 H new ATOM 1036 N GLU A 74 -6.967 1.760 -11.999 1.00 0.81 N ATOM 1037 CA GLU A 74 -7.151 0.845 -13.113 1.00 0.79 C ATOM 1038 C GLU A 74 -8.588 0.274 -13.216 1.00 0.70 C ATOM 1039 O GLU A 74 -8.852 -0.587 -14.052 1.00 0.86 O ATOM 1040 CB GLU A 74 -5.970 -0.152 -13.110 1.00 0.95 C ATOM 1041 CG GLU A 74 -6.337 -1.524 -12.559 1.00 2.51 C ATOM 1042 CD GLU A 74 -5.149 -2.435 -12.271 1.00 3.83 C ATOM 1043 OE1 GLU A 74 -4.073 -1.910 -11.914 1.00 4.07 O ATOM 1044 OE2 GLU A 74 -5.321 -3.665 -12.337 1.00 5.31 O ATOM 0 H GLU A 74 -6.416 1.374 -11.233 1.00 0.81 H new ATOM 0 HA GLU A 74 -7.101 1.367 -14.068 1.00 0.79 H new ATOM 0 HB2 GLU A 74 -5.598 -0.265 -14.128 1.00 0.95 H new ATOM 0 HB3 GLU A 74 -5.155 0.263 -12.517 1.00 0.95 H new ATOM 0 HG2 GLU A 74 -6.906 -1.390 -11.639 1.00 2.51 H new ATOM 0 HG3 GLU A 74 -6.995 -2.022 -13.271 1.00 2.51 H new ATOM 1051 N ARG A 75 -9.548 0.814 -12.451 1.00 0.72 N ATOM 1052 CA ARG A 75 -10.977 0.517 -12.533 1.00 0.79 C ATOM 1053 C ARG A 75 -11.506 0.215 -13.949 1.00 0.94 C ATOM 1054 O ARG A 75 -12.114 -0.835 -14.141 1.00 1.01 O ATOM 1055 CB ARG A 75 -11.785 1.654 -11.878 1.00 1.05 C ATOM 1056 CG ARG A 75 -12.544 1.168 -10.637 1.00 1.57 C ATOM 1057 CD ARG A 75 -13.598 2.193 -10.197 1.00 1.70 C ATOM 1058 NE ARG A 75 -14.172 1.836 -8.888 1.00 2.07 N ATOM 1059 CZ ARG A 75 -13.630 2.148 -7.699 1.00 3.35 C ATOM 1060 NH1 ARG A 75 -12.563 2.943 -7.635 1.00 4.29 N ATOM 1061 NH2 ARG A 75 -14.141 1.645 -6.577 1.00 4.50 N ATOM 0 H ARG A 75 -9.335 1.500 -11.727 1.00 0.72 H new ATOM 0 HA ARG A 75 -11.115 -0.415 -11.986 1.00 0.79 H new ATOM 0 HB2 ARG A 75 -11.112 2.465 -11.599 1.00 1.05 H new ATOM 0 HB3 ARG A 75 -12.492 2.061 -12.601 1.00 1.05 H new ATOM 0 HG2 ARG A 75 -13.027 0.215 -10.852 1.00 1.57 H new ATOM 0 HG3 ARG A 75 -11.841 0.992 -9.823 1.00 1.57 H new ATOM 0 HD2 ARG A 75 -13.146 3.183 -10.141 1.00 1.70 H new ATOM 0 HD3 ARG A 75 -14.391 2.247 -10.943 1.00 1.70 H new ATOM 0 HE ARG A 75 -15.047 1.312 -8.884 1.00 2.07 H new ATOM 0 HH11 ARG A 75 -12.154 3.318 -8.491 1.00 4.29 H new ATOM 0 HH12 ARG A 75 -12.155 3.177 -6.730 1.00 4.29 H new ATOM 0 HH21 ARG A 75 -14.947 1.021 -6.619 1.00 4.50 H new ATOM 0 HH22 ARG A 75 -13.727 1.884 -5.676 1.00 4.50 H new ATOM 1075 N PRO A 76 -11.303 1.081 -14.957 1.00 1.14 N ATOM 1076 CA PRO A 76 -11.900 0.869 -16.268 1.00 1.29 C ATOM 1077 C PRO A 76 -11.201 -0.232 -17.072 1.00 1.29 C ATOM 1078 O PRO A 76 -11.562 -0.448 -18.229 1.00 1.77 O ATOM 1079 CB PRO A 76 -11.791 2.220 -16.978 1.00 1.55 C ATOM 1080 CG PRO A 76 -10.518 2.813 -16.379 1.00 1.53 C ATOM 1081 CD PRO A 76 -10.576 2.342 -14.928 1.00 1.38 C ATOM 0 HA PRO A 76 -12.931 0.528 -16.171 1.00 1.29 H new ATOM 0 HB2 PRO A 76 -11.714 2.104 -18.059 1.00 1.55 H new ATOM 0 HB3 PRO A 76 -12.660 2.849 -16.786 1.00 1.55 H new ATOM 0 HG2 PRO A 76 -9.625 2.450 -16.887 1.00 1.53 H new ATOM 0 HG3 PRO A 76 -10.506 3.901 -16.451 1.00 1.53 H new ATOM 0 HD2 PRO A 76 -9.575 2.208 -14.518 1.00 1.38 H new ATOM 0 HD3 PRO A 76 -11.083 3.073 -14.298 1.00 1.38 H new ATOM 1089 N SER A 77 -10.188 -0.902 -16.521 1.00 1.03 N ATOM 1090 CA SER A 77 -9.490 -1.982 -17.194 1.00 1.13 C ATOM 1091 C SER A 77 -9.595 -3.275 -16.399 1.00 1.09 C ATOM 1092 O SER A 77 -9.752 -4.337 -16.991 1.00 1.20 O ATOM 1093 CB SER A 77 -8.041 -1.585 -17.455 1.00 1.35 C ATOM 1094 OG SER A 77 -7.334 -1.204 -16.287 1.00 1.66 O ATOM 0 H SER A 77 -9.831 -0.703 -15.586 1.00 1.03 H new ATOM 0 HA SER A 77 -9.964 -2.165 -18.158 1.00 1.13 H new ATOM 0 HB2 SER A 77 -7.524 -2.421 -17.925 1.00 1.35 H new ATOM 0 HB3 SER A 77 -8.023 -0.759 -18.166 1.00 1.35 H new ATOM 0 HG SER A 77 -7.967 -1.072 -15.550 1.00 1.66 H new ATOM 1100 N TYR A 78 -9.616 -3.216 -15.070 1.00 1.17 N ATOM 1101 CA TYR A 78 -9.809 -4.450 -14.334 1.00 1.18 C ATOM 1102 C TYR A 78 -11.321 -4.635 -14.339 1.00 1.15 C ATOM 1103 O TYR A 78 -12.082 -3.706 -14.080 1.00 1.41 O ATOM 1104 CB TYR A 78 -9.231 -4.391 -12.904 1.00 1.43 C ATOM 1105 CG TYR A 78 -10.271 -4.289 -11.808 1.00 1.02 C ATOM 1106 CD1 TYR A 78 -11.090 -5.399 -11.522 1.00 1.68 C ATOM 1107 CD2 TYR A 78 -10.585 -3.035 -11.263 1.00 1.94 C ATOM 1108 CE1 TYR A 78 -12.325 -5.215 -10.881 1.00 1.85 C ATOM 1109 CE2 TYR A 78 -11.768 -2.874 -10.526 1.00 2.10 C ATOM 1110 CZ TYR A 78 -12.666 -3.942 -10.389 1.00 1.50 C ATOM 1111 OH TYR A 78 -13.802 -3.745 -9.672 1.00 2.14 O ATOM 0 H TYR A 78 -9.507 -2.371 -14.509 1.00 1.17 H new ATOM 0 HA TYR A 78 -9.280 -5.288 -14.787 1.00 1.18 H new ATOM 0 HB2 TYR A 78 -8.628 -5.283 -12.733 1.00 1.43 H new ATOM 0 HB3 TYR A 78 -8.561 -3.534 -12.832 1.00 1.43 H new ATOM 0 HD1 TYR A 78 -10.767 -6.392 -11.796 1.00 1.68 H new ATOM 0 HD2 TYR A 78 -9.919 -2.197 -11.410 1.00 1.94 H new ATOM 0 HE1 TYR A 78 -13.008 -6.044 -10.766 1.00 1.85 H new ATOM 0 HE2 TYR A 78 -11.988 -1.924 -10.062 1.00 2.10 H new ATOM 0 HH TYR A 78 -13.868 -2.801 -9.416 1.00 2.14 H new ATOM 1121 N ASN A 79 -11.763 -5.837 -14.678 1.00 1.01 N ATOM 1122 CA ASN A 79 -13.164 -6.196 -14.621 1.00 1.15 C ATOM 1123 C ASN A 79 -13.176 -7.695 -14.364 1.00 1.10 C ATOM 1124 O ASN A 79 -12.219 -8.367 -14.755 1.00 1.76 O ATOM 1125 CB ASN A 79 -13.842 -5.768 -15.928 1.00 1.42 C ATOM 1126 CG ASN A 79 -15.351 -5.857 -15.789 1.00 1.90 C ATOM 1127 OD1 ASN A 79 -16.015 -6.645 -16.459 1.00 1.61 O ATOM 1128 ND2 ASN A 79 -15.938 -5.014 -14.949 1.00 3.33 N ATOM 0 H ASN A 79 -11.155 -6.590 -15.001 1.00 1.01 H new ATOM 0 HA ASN A 79 -13.728 -5.697 -13.833 1.00 1.15 H new ATOM 0 HB2 ASN A 79 -13.552 -4.748 -16.179 1.00 1.42 H new ATOM 0 HB3 ASN A 79 -13.507 -6.406 -16.746 1.00 1.42 H new ATOM 0 HD21 ASN A 79 -16.953 -5.014 -14.853 1.00 3.33 H new ATOM 0 HD22 ASN A 79 -15.374 -4.366 -14.400 1.00 3.33 H new ATOM 1135 N TYR A 80 -14.131 -8.237 -13.607 1.00 1.11 N ATOM 1136 CA TYR A 80 -14.124 -9.656 -13.319 1.00 1.14 C ATOM 1137 C TYR A 80 -14.782 -10.342 -14.510 1.00 1.32 C ATOM 1138 O TYR A 80 -14.747 -9.823 -15.627 1.00 2.11 O ATOM 1139 CB TYR A 80 -14.774 -9.930 -11.947 1.00 1.31 C ATOM 1140 CG TYR A 80 -14.489 -11.259 -11.252 1.00 1.28 C ATOM 1141 CD1 TYR A 80 -13.310 -11.998 -11.493 1.00 2.48 C ATOM 1142 CD2 TYR A 80 -15.371 -11.692 -10.242 1.00 2.07 C ATOM 1143 CE1 TYR A 80 -13.017 -13.135 -10.723 1.00 2.65 C ATOM 1144 CE2 TYR A 80 -15.089 -12.850 -9.497 1.00 2.13 C ATOM 1145 CZ TYR A 80 -13.909 -13.569 -9.735 1.00 1.68 C ATOM 1146 OH TYR A 80 -13.564 -14.591 -8.903 1.00 2.03 O ATOM 0 H TYR A 80 -14.904 -7.717 -13.192 1.00 1.11 H new ATOM 0 HA TYR A 80 -13.120 -10.068 -13.212 1.00 1.14 H new ATOM 0 HB2 TYR A 80 -14.468 -9.132 -11.271 1.00 1.31 H new ATOM 0 HB3 TYR A 80 -15.854 -9.847 -12.070 1.00 1.31 H new ATOM 0 HD1 TYR A 80 -12.631 -11.687 -12.273 1.00 2.48 H new ATOM 0 HD2 TYR A 80 -16.270 -11.130 -10.039 1.00 2.07 H new ATOM 0 HE1 TYR A 80 -12.099 -13.678 -10.894 1.00 2.65 H new ATOM 0 HE2 TYR A 80 -15.782 -13.186 -8.740 1.00 2.13 H new ATOM 0 HH TYR A 80 -12.592 -14.711 -8.918 1.00 2.03 H new ATOM 1156 N ALA A 81 -15.225 -11.577 -14.313 1.00 1.94 N ATOM 1157 CA ALA A 81 -15.897 -12.444 -15.268 1.00 2.19 C ATOM 1158 C ALA A 81 -14.828 -13.133 -16.115 1.00 2.13 C ATOM 1159 O ALA A 81 -14.795 -14.346 -16.277 1.00 2.48 O ATOM 1160 CB ALA A 81 -16.978 -11.714 -16.058 1.00 2.45 C ATOM 0 H ALA A 81 -15.114 -12.033 -13.408 1.00 1.94 H new ATOM 0 HA ALA A 81 -16.460 -13.220 -14.751 1.00 2.19 H new ATOM 0 HB1 ALA A 81 -17.448 -12.406 -16.756 1.00 2.45 H new ATOM 0 HB2 ALA A 81 -17.730 -11.324 -15.372 1.00 2.45 H new ATOM 0 HB3 ALA A 81 -16.530 -10.889 -16.611 1.00 2.45 H new ATOM 1166 N THR A 82 -13.910 -12.304 -16.598 1.00 1.96 N ATOM 1167 CA THR A 82 -12.826 -12.595 -17.504 1.00 2.20 C ATOM 1168 C THR A 82 -11.552 -12.912 -16.719 1.00 2.01 C ATOM 1169 O THR A 82 -10.649 -13.570 -17.224 1.00 2.20 O ATOM 1170 CB THR A 82 -12.631 -11.313 -18.322 1.00 2.80 C ATOM 1171 OG1 THR A 82 -12.314 -10.229 -17.458 1.00 3.08 O ATOM 1172 CG2 THR A 82 -13.915 -10.950 -19.075 1.00 3.07 C ATOM 0 H THR A 82 -13.914 -11.319 -16.334 1.00 1.96 H new ATOM 0 HA THR A 82 -13.042 -13.457 -18.135 1.00 2.20 H new ATOM 0 HB THR A 82 -11.822 -11.491 -19.030 1.00 2.80 H new ATOM 0 HG1 THR A 82 -12.190 -9.414 -17.988 1.00 3.08 H new ATOM 0 HG21 THR A 82 -13.755 -10.037 -19.649 1.00 3.07 H new ATOM 0 HG22 THR A 82 -14.182 -11.762 -19.752 1.00 3.07 H new ATOM 0 HG23 THR A 82 -14.723 -10.792 -18.361 1.00 3.07 H new ATOM 1180 N ASN A 83 -11.469 -12.411 -15.482 1.00 1.86 N ATOM 1181 CA ASN A 83 -10.298 -12.515 -14.623 1.00 1.85 C ATOM 1182 C ASN A 83 -9.123 -11.744 -15.236 1.00 1.84 C ATOM 1183 O ASN A 83 -7.971 -12.145 -15.080 1.00 2.20 O ATOM 1184 CB ASN A 83 -9.939 -13.991 -14.356 1.00 2.10 C ATOM 1185 CG ASN A 83 -9.159 -14.182 -13.056 1.00 2.06 C ATOM 1186 OD1 ASN A 83 -7.956 -13.944 -12.976 1.00 2.87 O ATOM 1187 ND2 ASN A 83 -9.844 -14.638 -12.016 1.00 1.63 N ATOM 0 H ASN A 83 -12.241 -11.908 -15.044 1.00 1.86 H new ATOM 0 HA ASN A 83 -10.528 -12.063 -13.658 1.00 1.85 H new ATOM 0 HB2 ASN A 83 -10.854 -14.582 -14.316 1.00 2.10 H new ATOM 0 HB3 ASN A 83 -9.349 -14.374 -15.189 1.00 2.10 H new ATOM 0 HD21 ASN A 83 -9.373 -14.798 -11.126 1.00 1.63 H new ATOM 0 HD22 ASN A 83 -10.842 -14.828 -12.106 1.00 1.63 H new ATOM 1194 N GLN A 84 -9.381 -10.652 -15.965 1.00 1.62 N ATOM 1195 CA GLN A 84 -8.360 -9.971 -16.757 1.00 1.73 C ATOM 1196 C GLN A 84 -8.483 -8.450 -16.681 1.00 1.63 C ATOM 1197 O GLN A 84 -9.398 -7.911 -16.059 1.00 1.82 O ATOM 1198 CB GLN A 84 -8.426 -10.465 -18.215 1.00 1.96 C ATOM 1199 CG GLN A 84 -7.826 -11.864 -18.402 1.00 2.40 C ATOM 1200 CD GLN A 84 -6.334 -11.879 -18.086 1.00 3.63 C ATOM 1201 OE1 GLN A 84 -5.530 -11.345 -18.840 1.00 4.20 O ATOM 1202 NE2 GLN A 84 -5.947 -12.437 -16.947 1.00 4.84 N ATOM 0 H GLN A 84 -10.303 -10.219 -16.020 1.00 1.62 H new ATOM 0 HA GLN A 84 -7.385 -10.218 -16.337 1.00 1.73 H new ATOM 0 HB2 GLN A 84 -9.466 -10.475 -18.543 1.00 1.96 H new ATOM 0 HB3 GLN A 84 -7.896 -9.760 -18.856 1.00 1.96 H new ATOM 0 HG2 GLN A 84 -8.343 -12.572 -17.755 1.00 2.40 H new ATOM 0 HG3 GLN A 84 -7.985 -12.195 -19.428 1.00 2.40 H new ATOM 0 HE21 GLN A 84 -6.635 -12.876 -16.335 1.00 4.84 H new ATOM 0 HE22 GLN A 84 -4.962 -12.427 -16.683 1.00 4.84 H new ATOM 1211 N CYS A 85 -7.517 -7.773 -17.310 1.00 1.74 N ATOM 1212 CA CYS A 85 -7.371 -6.321 -17.289 1.00 1.72 C ATOM 1213 C CYS A 85 -7.830 -5.664 -18.601 1.00 1.99 C ATOM 1214 O CYS A 85 -7.359 -4.587 -18.964 1.00 3.51 O ATOM 1215 CB CYS A 85 -5.932 -5.935 -16.949 1.00 1.76 C ATOM 1216 SG CYS A 85 -5.807 -4.185 -16.517 1.00 2.84 S ATOM 0 H CYS A 85 -6.796 -8.237 -17.863 1.00 1.74 H new ATOM 0 HA CYS A 85 -8.029 -5.940 -16.508 1.00 1.72 H new ATOM 0 HB2 CYS A 85 -5.577 -6.543 -16.117 1.00 1.76 H new ATOM 0 HB3 CYS A 85 -5.285 -6.149 -17.800 1.00 1.76 H new ATOM 1221 N VAL A 86 -8.743 -6.308 -19.336 1.00 1.43 N ATOM 1222 CA VAL A 86 -9.375 -5.787 -20.556 1.00 1.41 C ATOM 1223 C VAL A 86 -8.265 -5.410 -21.576 1.00 1.66 C ATOM 1224 O VAL A 86 -7.092 -5.736 -21.382 1.00 1.95 O ATOM 1225 CB VAL A 86 -10.336 -4.643 -20.120 1.00 1.14 C ATOM 1226 CG1 VAL A 86 -10.755 -3.552 -21.108 1.00 1.26 C ATOM 1227 CG2 VAL A 86 -11.569 -5.178 -19.383 1.00 1.18 C ATOM 0 H VAL A 86 -9.075 -7.240 -19.090 1.00 1.43 H new ATOM 0 HA VAL A 86 -9.990 -6.514 -21.086 1.00 1.41 H new ATOM 0 HB VAL A 86 -9.658 -4.096 -19.465 1.00 1.14 H new ATOM 0 HG11 VAL A 86 -11.426 -2.850 -20.612 1.00 1.26 H new ATOM 0 HG12 VAL A 86 -9.871 -3.021 -21.461 1.00 1.26 H new ATOM 0 HG13 VAL A 86 -11.268 -4.006 -21.956 1.00 1.26 H new ATOM 0 HG21 VAL A 86 -12.212 -4.345 -19.097 1.00 1.18 H new ATOM 0 HG22 VAL A 86 -12.120 -5.853 -20.038 1.00 1.18 H new ATOM 0 HG23 VAL A 86 -11.254 -5.716 -18.489 1.00 1.18 H new ATOM 1237 N GLY A 87 -8.593 -4.746 -22.685 1.00 2.30 N ATOM 1238 CA GLY A 87 -7.611 -3.978 -23.452 1.00 2.92 C ATOM 1239 C GLY A 87 -7.482 -2.622 -22.793 1.00 3.83 C ATOM 1240 O GLY A 87 -7.933 -1.617 -23.343 1.00 5.23 O ATOM 0 H GLY A 87 -9.536 -4.725 -23.074 1.00 2.30 H new ATOM 0 HA2 GLY A 87 -6.649 -4.491 -23.466 1.00 2.92 H new ATOM 0 HA3 GLY A 87 -7.931 -3.872 -24.488 1.00 2.92 H new ATOM 1244 N GLY A 88 -6.929 -2.612 -21.586 1.00 3.58 N ATOM 1245 CA GLY A 88 -6.603 -1.404 -20.890 1.00 4.69 C ATOM 1246 C GLY A 88 -5.141 -1.094 -21.141 1.00 3.82 C ATOM 1247 O GLY A 88 -4.513 -1.552 -22.101 1.00 3.88 O ATOM 0 H GLY A 88 -6.697 -3.460 -21.069 1.00 3.58 H new ATOM 0 HA2 GLY A 88 -7.231 -0.584 -21.238 1.00 4.69 H new ATOM 0 HA3 GLY A 88 -6.790 -1.518 -19.822 1.00 4.69 H new ATOM 1251 N LYS A 89 -4.609 -0.275 -20.253 1.00 3.85 N ATOM 1252 CA LYS A 89 -3.241 0.187 -20.283 1.00 3.56 C ATOM 1253 C LYS A 89 -2.501 -0.422 -19.095 1.00 2.94 C ATOM 1254 O LYS A 89 -2.999 -1.376 -18.502 1.00 2.91 O ATOM 1255 CB LYS A 89 -3.284 1.704 -20.380 1.00 4.73 C ATOM 1256 CG LYS A 89 -3.777 2.010 -21.804 1.00 5.39 C ATOM 1257 CD LYS A 89 -2.608 2.515 -22.655 1.00 6.50 C ATOM 1258 CE LYS A 89 -1.553 1.428 -22.893 1.00 6.79 C ATOM 1259 NZ LYS A 89 -0.657 1.742 -24.020 1.00 7.65 N ATOM 0 H LYS A 89 -5.139 0.098 -19.465 1.00 3.85 H new ATOM 0 HA LYS A 89 -2.664 -0.141 -21.148 1.00 3.56 H new ATOM 0 HB2 LYS A 89 -3.956 2.126 -19.633 1.00 4.73 H new ATOM 0 HB3 LYS A 89 -2.299 2.137 -20.204 1.00 4.73 H new ATOM 0 HG2 LYS A 89 -4.205 1.113 -22.252 1.00 5.39 H new ATOM 0 HG3 LYS A 89 -4.568 2.760 -21.773 1.00 5.39 H new ATOM 0 HD2 LYS A 89 -2.985 2.869 -23.614 1.00 6.50 H new ATOM 0 HD3 LYS A 89 -2.143 3.368 -22.161 1.00 6.50 H new ATOM 0 HE2 LYS A 89 -0.960 1.299 -21.988 1.00 6.79 H new ATOM 0 HE3 LYS A 89 -2.053 0.478 -23.085 1.00 6.79 H new ATOM 0 HZ1 LYS A 89 0.036 0.975 -24.137 1.00 7.65 H new ATOM 0 HZ2 LYS A 89 -1.216 1.839 -24.891 1.00 7.65 H new ATOM 0 HZ3 LYS A 89 -0.157 2.634 -23.828 1.00 7.65 H new ATOM 1273 N LYS A 90 -1.309 0.066 -18.760 1.00 2.99 N ATOM 1274 CA LYS A 90 -0.492 -0.587 -17.754 1.00 2.77 C ATOM 1275 C LYS A 90 -1.208 -0.528 -16.403 1.00 2.60 C ATOM 1276 O LYS A 90 -1.338 0.551 -15.829 1.00 2.99 O ATOM 1277 CB LYS A 90 0.880 0.088 -17.736 1.00 3.61 C ATOM 1278 CG LYS A 90 1.889 -0.676 -16.872 1.00 4.24 C ATOM 1279 CD LYS A 90 3.321 -0.322 -17.289 1.00 5.12 C ATOM 1280 CE LYS A 90 3.665 1.154 -17.025 1.00 5.76 C ATOM 1281 NZ LYS A 90 4.797 1.606 -17.856 1.00 6.68 N ATOM 0 H LYS A 90 -0.895 0.904 -19.169 1.00 2.99 H new ATOM 0 HA LYS A 90 -0.340 -1.642 -17.983 1.00 2.77 H new ATOM 0 HB2 LYS A 90 1.260 0.163 -18.755 1.00 3.61 H new ATOM 0 HB3 LYS A 90 0.778 1.105 -17.358 1.00 3.61 H new ATOM 0 HG2 LYS A 90 1.738 -0.430 -15.821 1.00 4.24 H new ATOM 0 HG3 LYS A 90 1.728 -1.749 -16.975 1.00 4.24 H new ATOM 0 HD2 LYS A 90 4.021 -0.957 -16.747 1.00 5.12 H new ATOM 0 HD3 LYS A 90 3.451 -0.538 -18.350 1.00 5.12 H new ATOM 0 HE2 LYS A 90 2.792 1.774 -17.230 1.00 5.76 H new ATOM 0 HE3 LYS A 90 3.910 1.288 -15.971 1.00 5.76 H new ATOM 0 HZ1 LYS A 90 5.001 2.605 -17.651 1.00 6.68 H new ATOM 0 HZ2 LYS A 90 5.636 1.031 -17.642 1.00 6.68 H new ATOM 0 HZ3 LYS A 90 4.553 1.501 -18.862 1.00 6.68 H new ATOM 1295 N CYS A 91 -1.669 -1.677 -15.917 1.00 2.22 N ATOM 1296 CA CYS A 91 -2.479 -1.828 -14.717 1.00 2.07 C ATOM 1297 C CYS A 91 -1.511 -2.134 -13.593 1.00 2.19 C ATOM 1298 O CYS A 91 -0.934 -1.215 -13.006 1.00 3.69 O ATOM 1299 CB CYS A 91 -3.592 -2.890 -14.896 1.00 2.10 C ATOM 1300 SG CYS A 91 -3.769 -3.756 -16.470 1.00 2.82 S ATOM 0 H CYS A 91 -1.478 -2.569 -16.373 1.00 2.22 H new ATOM 0 HA CYS A 91 -3.033 -0.918 -14.487 1.00 2.07 H new ATOM 0 HB2 CYS A 91 -3.445 -3.646 -14.125 1.00 2.10 H new ATOM 0 HB3 CYS A 91 -4.543 -2.401 -14.686 1.00 2.10 H new ATOM 1305 N ARG A 92 -1.229 -3.417 -13.372 1.00 1.22 N ATOM 1306 CA ARG A 92 -0.291 -3.895 -12.378 1.00 1.22 C ATOM 1307 C ARG A 92 -0.405 -3.147 -11.055 1.00 1.15 C ATOM 1308 O ARG A 92 0.611 -2.749 -10.479 1.00 1.87 O ATOM 1309 CB ARG A 92 1.134 -3.853 -12.970 1.00 1.49 C ATOM 1310 CG ARG A 92 1.512 -5.180 -13.617 1.00 1.24 C ATOM 1311 CD ARG A 92 1.629 -6.259 -12.535 1.00 1.29 C ATOM 1312 NE ARG A 92 2.050 -7.537 -13.127 1.00 1.57 N ATOM 1313 CZ ARG A 92 3.202 -8.187 -12.916 1.00 2.46 C ATOM 1314 NH1 ARG A 92 4.164 -7.592 -12.210 1.00 3.98 N ATOM 1315 NH2 ARG A 92 3.360 -9.419 -13.395 1.00 2.84 N ATOM 0 H ARG A 92 -1.666 -4.171 -13.902 1.00 1.22 H new ATOM 0 HA ARG A 92 -0.535 -4.928 -12.132 1.00 1.22 H new ATOM 0 HB2 ARG A 92 1.198 -3.055 -13.710 1.00 1.49 H new ATOM 0 HB3 ARG A 92 1.849 -3.615 -12.182 1.00 1.49 H new ATOM 0 HG2 ARG A 92 0.759 -5.466 -14.352 1.00 1.24 H new ATOM 0 HG3 ARG A 92 2.457 -5.081 -14.151 1.00 1.24 H new ATOM 0 HD2 ARG A 92 2.349 -5.947 -11.778 1.00 1.29 H new ATOM 0 HD3 ARG A 92 0.670 -6.383 -12.031 1.00 1.29 H new ATOM 0 HE ARG A 92 1.392 -7.978 -13.770 1.00 1.57 H new ATOM 0 HH11 ARG A 92 4.018 -6.654 -11.838 1.00 3.98 H new ATOM 0 HH12 ARG A 92 5.046 -8.075 -12.042 1.00 3.98 H new ATOM 0 HH21 ARG A 92 2.606 -9.863 -13.919 1.00 2.84 H new ATOM 0 HH22 ARG A 92 4.235 -9.919 -13.238 1.00 2.84 H new ATOM 1329 N HIS A 93 -1.631 -2.952 -10.575 1.00 0.73 N ATOM 1330 CA HIS A 93 -1.904 -2.202 -9.369 1.00 0.65 C ATOM 1331 C HIS A 93 -3.150 -2.747 -8.671 1.00 0.58 C ATOM 1332 O HIS A 93 -3.021 -3.349 -7.604 1.00 0.60 O ATOM 1333 CB HIS A 93 -2.052 -0.720 -9.730 1.00 0.76 C ATOM 1334 CG HIS A 93 -0.812 0.143 -9.655 1.00 0.97 C ATOM 1335 ND1 HIS A 93 -0.755 1.447 -10.108 1.00 1.36 N ATOM 1336 CD2 HIS A 93 0.413 -0.177 -9.129 1.00 1.14 C ATOM 1337 CE1 HIS A 93 0.468 1.927 -9.831 1.00 1.72 C ATOM 1338 NE2 HIS A 93 1.193 0.960 -9.239 1.00 1.60 N ATOM 0 H HIS A 93 -2.469 -3.319 -11.025 1.00 0.73 H new ATOM 0 HA HIS A 93 -1.076 -2.307 -8.667 1.00 0.65 H new ATOM 0 HB2 HIS A 93 -2.444 -0.658 -10.745 1.00 0.76 H new ATOM 0 HB3 HIS A 93 -2.804 -0.286 -9.071 1.00 0.76 H new ATOM 0 HD2 HIS A 93 0.710 -1.128 -8.712 1.00 1.14 H new ATOM 0 HE1 HIS A 93 0.814 2.927 -10.048 1.00 1.72 H new ATOM 0 HE2 HIS A 93 2.159 1.051 -8.923 1.00 1.60 H new ATOM 1347 N TYR A 94 -4.344 -2.525 -9.228 1.00 0.59 N ATOM 1348 CA TYR A 94 -5.576 -3.038 -8.634 1.00 0.56 C ATOM 1349 C TYR A 94 -5.444 -4.539 -8.446 1.00 0.46 C ATOM 1350 O TYR A 94 -5.842 -5.040 -7.399 1.00 0.42 O ATOM 1351 CB TYR A 94 -6.829 -2.721 -9.457 1.00 0.69 C ATOM 1352 CG TYR A 94 -8.118 -3.344 -8.962 1.00 0.87 C ATOM 1353 CD1 TYR A 94 -8.392 -4.694 -9.254 1.00 1.27 C ATOM 1354 CD2 TYR A 94 -9.089 -2.565 -8.309 1.00 2.11 C ATOM 1355 CE1 TYR A 94 -9.568 -5.291 -8.780 1.00 1.43 C ATOM 1356 CE2 TYR A 94 -10.262 -3.169 -7.824 1.00 2.37 C ATOM 1357 CZ TYR A 94 -10.498 -4.535 -8.051 1.00 1.53 C ATOM 1358 OH TYR A 94 -11.639 -5.125 -7.612 1.00 1.91 O ATOM 0 H TYR A 94 -4.481 -1.994 -10.088 1.00 0.59 H new ATOM 0 HA TYR A 94 -5.708 -2.535 -7.676 1.00 0.56 H new ATOM 0 HB2 TYR A 94 -6.958 -1.639 -9.485 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -6.660 -3.049 -10.483 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -7.695 -5.270 -9.844 1.00 1.27 H new ATOM 0 HD2 TYR A 94 -8.934 -1.504 -8.180 1.00 2.11 H new ATOM 0 HE1 TYR A 94 -9.759 -6.336 -8.976 1.00 1.43 H new ATOM 0 HE2 TYR A 94 -10.983 -2.581 -7.276 1.00 2.37 H new ATOM 0 HH TYR A 94 -11.746 -4.957 -6.652 1.00 1.91 H new ATOM 1368 N THR A 95 -4.880 -5.234 -9.435 1.00 0.49 N ATOM 1369 CA THR A 95 -4.475 -6.629 -9.333 1.00 0.48 C ATOM 1370 C THR A 95 -3.987 -6.927 -7.919 1.00 0.48 C ATOM 1371 O THR A 95 -4.535 -7.771 -7.217 1.00 0.60 O ATOM 1372 CB THR A 95 -3.299 -6.852 -10.309 1.00 0.87 C ATOM 1373 OG1 THR A 95 -2.348 -5.810 -10.151 1.00 1.23 O ATOM 1374 CG2 THR A 95 -3.702 -6.842 -11.781 1.00 1.23 C ATOM 0 H THR A 95 -4.689 -4.828 -10.351 1.00 0.49 H new ATOM 0 HA THR A 95 -5.318 -7.278 -9.569 1.00 0.48 H new ATOM 0 HB THR A 95 -2.903 -7.837 -10.063 1.00 0.87 H new ATOM 0 HG1 THR A 95 -1.462 -6.197 -9.989 1.00 1.23 H new ATOM 0 HG21 THR A 95 -2.820 -7.005 -12.401 1.00 1.23 H new ATOM 0 HG22 THR A 95 -4.427 -7.635 -11.965 1.00 1.23 H new ATOM 0 HG23 THR A 95 -4.147 -5.879 -12.030 1.00 1.23 H new ATOM 1382 N GLN A 96 -2.949 -6.214 -7.494 1.00 0.47 N ATOM 1383 CA GLN A 96 -2.297 -6.507 -6.244 1.00 0.47 C ATOM 1384 C GLN A 96 -3.157 -6.081 -5.060 1.00 0.47 C ATOM 1385 O GLN A 96 -3.257 -6.794 -4.060 1.00 0.55 O ATOM 1386 CB GLN A 96 -0.876 -5.934 -6.228 1.00 0.58 C ATOM 1387 CG GLN A 96 -0.064 -6.505 -5.058 1.00 1.01 C ATOM 1388 CD GLN A 96 -0.128 -8.029 -5.016 1.00 1.25 C ATOM 1389 OE1 GLN A 96 -0.196 -8.682 -6.054 1.00 2.62 O ATOM 1390 NE2 GLN A 96 -0.158 -8.624 -3.834 1.00 1.02 N ATOM 0 H GLN A 96 -2.548 -5.429 -8.006 1.00 0.47 H new ATOM 0 HA GLN A 96 -2.184 -7.586 -6.142 1.00 0.47 H new ATOM 0 HB2 GLN A 96 -0.376 -6.165 -7.169 1.00 0.58 H new ATOM 0 HB3 GLN A 96 -0.919 -4.848 -6.149 1.00 0.58 H new ATOM 0 HG2 GLN A 96 0.975 -6.187 -5.147 1.00 1.01 H new ATOM 0 HG3 GLN A 96 -0.443 -6.099 -4.120 1.00 1.01 H new ATOM 0 HE21 GLN A 96 -0.100 -8.067 -2.981 1.00 1.02 H new ATOM 0 HE22 GLN A 96 -0.239 -9.639 -3.776 1.00 1.02 H new ATOM 1399 N VAL A 97 -3.819 -4.937 -5.184 1.00 0.43 N ATOM 1400 CA VAL A 97 -4.732 -4.475 -4.155 1.00 0.43 C ATOM 1401 C VAL A 97 -5.843 -5.506 -3.930 1.00 0.45 C ATOM 1402 O VAL A 97 -6.307 -5.660 -2.805 1.00 0.65 O ATOM 1403 CB VAL A 97 -5.255 -3.077 -4.516 1.00 0.55 C ATOM 1404 CG1 VAL A 97 -6.289 -2.551 -3.515 1.00 0.60 C ATOM 1405 CG2 VAL A 97 -4.084 -2.102 -4.524 1.00 0.70 C ATOM 0 H VAL A 97 -3.738 -4.315 -5.988 1.00 0.43 H new ATOM 0 HA VAL A 97 -4.211 -4.378 -3.203 1.00 0.43 H new ATOM 0 HB VAL A 97 -5.735 -3.157 -5.491 1.00 0.55 H new ATOM 0 HG11 VAL A 97 -6.622 -1.560 -3.823 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -7.143 -3.227 -3.485 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -5.839 -2.491 -2.524 1.00 0.60 H new ATOM 0 HG21 VAL A 97 -4.443 -1.105 -4.779 1.00 0.70 H new ATOM 0 HG22 VAL A 97 -3.622 -2.080 -3.537 1.00 0.70 H new ATOM 0 HG23 VAL A 97 -3.348 -2.423 -5.262 1.00 0.70 H new ATOM 1415 N VAL A 98 -6.231 -6.243 -4.972 1.00 0.36 N ATOM 1416 CA VAL A 98 -7.250 -7.280 -4.944 1.00 0.34 C ATOM 1417 C VAL A 98 -6.748 -8.657 -4.530 1.00 0.44 C ATOM 1418 O VAL A 98 -7.548 -9.526 -4.208 1.00 0.60 O ATOM 1419 CB VAL A 98 -8.037 -7.271 -6.271 1.00 0.35 C ATOM 1420 CG1 VAL A 98 -7.850 -8.504 -7.163 1.00 0.46 C ATOM 1421 CG2 VAL A 98 -9.517 -7.160 -5.926 1.00 0.38 C ATOM 0 H VAL A 98 -5.821 -6.124 -5.898 1.00 0.36 H new ATOM 0 HA VAL A 98 -7.941 -7.034 -4.137 1.00 0.34 H new ATOM 0 HB VAL A 98 -7.650 -6.430 -6.847 1.00 0.35 H new ATOM 0 HG11 VAL A 98 -8.448 -8.393 -8.068 1.00 0.46 H new ATOM 0 HG12 VAL A 98 -6.798 -8.602 -7.432 1.00 0.46 H new ATOM 0 HG13 VAL A 98 -8.171 -9.395 -6.624 1.00 0.46 H new ATOM 0 HG21 VAL A 98 -10.105 -7.151 -6.844 1.00 0.38 H new ATOM 0 HG22 VAL A 98 -9.813 -8.012 -5.314 1.00 0.38 H new ATOM 0 HG23 VAL A 98 -9.693 -6.237 -5.373 1.00 0.38 H new ATOM 1431 N TRP A 99 -5.436 -8.854 -4.500 1.00 0.57 N ATOM 1432 CA TRP A 99 -4.808 -10.162 -4.564 1.00 0.60 C ATOM 1433 C TRP A 99 -5.323 -11.089 -3.462 1.00 0.60 C ATOM 1434 O TRP A 99 -4.929 -10.935 -2.308 1.00 0.65 O ATOM 1435 CB TRP A 99 -3.290 -9.964 -4.518 1.00 0.65 C ATOM 1436 CG TRP A 99 -2.454 -11.062 -5.075 1.00 0.71 C ATOM 1437 CD1 TRP A 99 -1.718 -11.954 -4.381 1.00 0.84 C ATOM 1438 CD2 TRP A 99 -2.235 -11.368 -6.478 1.00 0.72 C ATOM 1439 NE1 TRP A 99 -1.125 -12.830 -5.261 1.00 0.85 N ATOM 1440 CE2 TRP A 99 -1.445 -12.545 -6.568 1.00 0.77 C ATOM 1441 CE3 TRP A 99 -2.617 -10.759 -7.688 1.00 0.77 C ATOM 1442 CZ2 TRP A 99 -1.122 -13.133 -7.796 1.00 0.80 C ATOM 1443 CZ3 TRP A 99 -2.349 -11.369 -8.925 1.00 0.84 C ATOM 1444 CH2 TRP A 99 -1.641 -12.578 -8.975 1.00 0.86 C ATOM 0 H TRP A 99 -4.766 -8.089 -4.429 1.00 0.57 H new ATOM 0 HA TRP A 99 -5.069 -10.660 -5.498 1.00 0.60 H new ATOM 0 HB2 TRP A 99 -3.050 -9.047 -5.057 1.00 0.65 H new ATOM 0 HB3 TRP A 99 -2.999 -9.808 -3.479 1.00 0.65 H new ATOM 0 HD1 TRP A 99 -1.611 -11.977 -3.307 1.00 0.84 H new ATOM 0 HE1 TRP A 99 -0.519 -13.600 -4.977 1.00 0.85 H new ATOM 0 HE3 TRP A 99 -3.125 -9.806 -7.665 1.00 0.77 H new ATOM 0 HZ2 TRP A 99 -0.482 -14.002 -7.835 1.00 0.80 H new ATOM 0 HZ3 TRP A 99 -2.689 -10.906 -9.839 1.00 0.84 H new ATOM 0 HH2 TRP A 99 -1.495 -13.081 -9.920 1.00 0.86 H new ATOM 1455 N ARG A 100 -6.219 -12.018 -3.794 1.00 0.63 N ATOM 1456 CA ARG A 100 -6.846 -12.938 -2.857 1.00 0.67 C ATOM 1457 C ARG A 100 -5.787 -13.593 -1.976 1.00 0.70 C ATOM 1458 O ARG A 100 -5.918 -13.652 -0.761 1.00 0.78 O ATOM 1459 CB ARG A 100 -7.688 -13.968 -3.640 1.00 0.73 C ATOM 1460 CG ARG A 100 -8.245 -15.049 -2.698 1.00 0.97 C ATOM 1461 CD ARG A 100 -9.246 -15.982 -3.389 1.00 1.27 C ATOM 1462 NE ARG A 100 -10.586 -15.384 -3.489 1.00 2.50 N ATOM 1463 CZ ARG A 100 -11.246 -15.026 -4.598 1.00 3.93 C ATOM 1464 NH1 ARG A 100 -10.684 -15.127 -5.801 1.00 4.76 N ATOM 1465 NH2 ARG A 100 -12.478 -14.552 -4.458 1.00 5.33 N ATOM 0 H ARG A 100 -6.536 -12.152 -4.754 1.00 0.63 H new ATOM 0 HA ARG A 100 -7.519 -12.399 -2.191 1.00 0.67 H new ATOM 0 HB2 ARG A 100 -8.510 -13.462 -4.147 1.00 0.73 H new ATOM 0 HB3 ARG A 100 -7.075 -14.433 -4.412 1.00 0.73 H new ATOM 0 HG2 ARG A 100 -7.419 -15.640 -2.302 1.00 0.97 H new ATOM 0 HG3 ARG A 100 -8.730 -14.569 -1.848 1.00 0.97 H new ATOM 0 HD2 ARG A 100 -8.883 -16.225 -4.388 1.00 1.27 H new ATOM 0 HD3 ARG A 100 -9.309 -16.919 -2.835 1.00 1.27 H new ATOM 0 HE ARG A 100 -11.072 -15.222 -2.607 1.00 2.50 H new ATOM 0 HH11 ARG A 100 -9.732 -15.483 -5.891 1.00 4.76 H new ATOM 0 HH12 ARG A 100 -11.205 -14.849 -6.632 1.00 4.76 H new ATOM 0 HH21 ARG A 100 -12.891 -14.471 -3.529 1.00 5.33 H new ATOM 0 HH22 ARG A 100 -13.012 -14.269 -5.280 1.00 5.33 H new ATOM 1479 N ASN A 101 -4.725 -14.079 -2.611 1.00 0.66 N ATOM 1480 CA ASN A 101 -3.678 -14.815 -1.923 1.00 0.67 C ATOM 1481 C ASN A 101 -2.968 -13.966 -0.869 1.00 0.75 C ATOM 1482 O ASN A 101 -2.471 -14.522 0.106 1.00 1.34 O ATOM 1483 CB ASN A 101 -2.648 -15.337 -2.921 1.00 0.84 C ATOM 1484 CG ASN A 101 -3.211 -16.400 -3.851 1.00 1.64 C ATOM 1485 OD1 ASN A 101 -3.172 -17.593 -3.565 1.00 1.68 O ATOM 1486 ND2 ASN A 101 -3.751 -15.998 -4.992 1.00 3.72 N ATOM 0 H ASN A 101 -4.569 -13.973 -3.613 1.00 0.66 H new ATOM 0 HA ASN A 101 -4.163 -15.649 -1.416 1.00 0.67 H new ATOM 0 HB2 ASN A 101 -2.271 -14.505 -3.515 1.00 0.84 H new ATOM 0 HB3 ASN A 101 -1.799 -15.750 -2.377 1.00 0.84 H new ATOM 0 HD21 ASN A 101 -4.139 -16.682 -5.642 1.00 3.72 H new ATOM 0 HD22 ASN A 101 -3.779 -15.004 -5.221 1.00 3.72 H new ATOM 1493 N SER A 102 -2.853 -12.643 -1.049 1.00 0.67 N ATOM 1494 CA SER A 102 -2.095 -11.855 -0.089 1.00 0.68 C ATOM 1495 C SER A 102 -3.021 -11.533 1.068 1.00 0.74 C ATOM 1496 O SER A 102 -3.685 -10.497 1.075 1.00 1.39 O ATOM 1497 CB SER A 102 -1.482 -10.589 -0.692 1.00 0.81 C ATOM 1498 OG SER A 102 -2.478 -9.740 -1.223 1.00 1.98 O ATOM 0 H SER A 102 -3.261 -12.118 -1.823 1.00 0.67 H new ATOM 0 HA SER A 102 -1.239 -12.438 0.251 1.00 0.68 H new ATOM 0 HB2 SER A 102 -0.917 -10.056 0.073 1.00 0.81 H new ATOM 0 HB3 SER A 102 -0.777 -10.862 -1.477 1.00 0.81 H new ATOM 0 HG SER A 102 -3.249 -9.722 -0.618 1.00 1.98 H new ATOM 1504 N VAL A 103 -3.034 -12.411 2.055 1.00 0.54 N ATOM 1505 CA VAL A 103 -3.811 -12.237 3.264 1.00 0.60 C ATOM 1506 C VAL A 103 -2.940 -11.584 4.338 1.00 0.80 C ATOM 1507 O VAL A 103 -3.137 -11.823 5.524 1.00 1.56 O ATOM 1508 CB VAL A 103 -4.350 -13.606 3.693 1.00 0.74 C ATOM 1509 CG1 VAL A 103 -5.328 -14.150 2.646 1.00 0.80 C ATOM 1510 CG2 VAL A 103 -3.227 -14.622 3.933 1.00 0.88 C ATOM 0 H VAL A 103 -2.496 -13.277 2.036 1.00 0.54 H new ATOM 0 HA VAL A 103 -4.662 -11.576 3.098 1.00 0.60 H new ATOM 0 HB VAL A 103 -4.873 -13.460 4.638 1.00 0.74 H new ATOM 0 HG11 VAL A 103 -5.701 -15.123 2.967 1.00 0.80 H new ATOM 0 HG12 VAL A 103 -6.164 -13.459 2.536 1.00 0.80 H new ATOM 0 HG13 VAL A 103 -4.816 -14.255 1.690 1.00 0.80 H new ATOM 0 HG21 VAL A 103 -3.658 -15.576 4.235 1.00 0.88 H new ATOM 0 HG22 VAL A 103 -2.656 -14.756 3.015 1.00 0.88 H new ATOM 0 HG23 VAL A 103 -2.568 -14.256 4.720 1.00 0.88 H new ATOM 1520 N ARG A 104 -1.947 -10.803 3.919 1.00 0.56 N ATOM 1521 CA ARG A 104 -1.086 -9.993 4.757 1.00 0.58 C ATOM 1522 C ARG A 104 -0.991 -8.646 4.056 1.00 0.54 C ATOM 1523 O ARG A 104 -1.079 -8.610 2.825 1.00 0.64 O ATOM 1524 CB ARG A 104 0.349 -10.548 4.783 1.00 0.64 C ATOM 1525 CG ARG A 104 0.649 -11.881 5.462 1.00 0.97 C ATOM 1526 CD ARG A 104 0.282 -13.145 4.684 1.00 2.44 C ATOM 1527 NE ARG A 104 0.013 -14.249 5.616 1.00 3.01 N ATOM 1528 CZ ARG A 104 0.937 -15.014 6.207 1.00 3.35 C ATOM 1529 NH1 ARG A 104 2.233 -14.739 6.034 1.00 3.66 N ATOM 1530 NH2 ARG A 104 0.543 -16.031 6.969 1.00 4.47 N ATOM 0 H ARG A 104 -1.714 -10.718 2.930 1.00 0.56 H new ATOM 0 HA ARG A 104 -1.484 -9.959 5.771 1.00 0.58 H new ATOM 0 HB2 ARG A 104 0.681 -10.632 3.748 1.00 0.64 H new ATOM 0 HB3 ARG A 104 0.977 -9.795 5.259 1.00 0.64 H new ATOM 0 HG2 ARG A 104 1.715 -11.917 5.686 1.00 0.97 H new ATOM 0 HG3 ARG A 104 0.122 -11.903 6.416 1.00 0.97 H new ATOM 0 HD2 ARG A 104 -0.596 -12.959 4.065 1.00 2.44 H new ATOM 0 HD3 ARG A 104 1.095 -13.416 4.011 1.00 2.44 H new ATOM 0 HE ARG A 104 -0.964 -14.449 5.831 1.00 3.01 H new ATOM 0 HH11 ARG A 104 2.514 -13.949 5.453 1.00 3.66 H new ATOM 0 HH12 ARG A 104 2.942 -15.319 6.483 1.00 3.66 H new ATOM 0 HH21 ARG A 104 -0.452 -16.218 7.096 1.00 4.47 H new ATOM 0 HH22 ARG A 104 1.236 -16.624 7.427 1.00 4.47 H new ATOM 1544 N LEU A 105 -0.758 -7.561 4.791 1.00 0.62 N ATOM 1545 CA LEU A 105 -0.580 -6.249 4.200 1.00 0.58 C ATOM 1546 C LEU A 105 0.287 -5.397 5.110 1.00 0.57 C ATOM 1547 O LEU A 105 0.341 -5.620 6.315 1.00 1.06 O ATOM 1548 CB LEU A 105 -1.957 -5.620 3.995 1.00 0.80 C ATOM 1549 CG LEU A 105 -2.010 -4.406 3.057 1.00 0.77 C ATOM 1550 CD1 LEU A 105 -1.935 -3.072 3.780 1.00 2.26 C ATOM 1551 CD2 LEU A 105 -1.176 -4.503 1.782 1.00 2.07 C ATOM 0 H LEU A 105 -0.689 -7.572 5.809 1.00 0.62 H new ATOM 0 HA LEU A 105 -0.079 -6.324 3.235 1.00 0.58 H new ATOM 0 HB2 LEU A 105 -2.629 -6.385 3.606 1.00 0.80 H new ATOM 0 HB3 LEU A 105 -2.346 -5.319 4.968 1.00 0.80 H new ATOM 0 HG LEU A 105 -3.022 -4.444 2.653 1.00 0.77 H new ATOM 0 HD11 LEU A 105 -1.978 -2.261 3.053 1.00 2.26 H new ATOM 0 HD12 LEU A 105 -2.774 -2.985 4.471 1.00 2.26 H new ATOM 0 HD13 LEU A 105 -0.999 -3.012 4.336 1.00 2.26 H new ATOM 0 HD21 LEU A 105 -1.293 -3.589 1.200 1.00 2.07 H new ATOM 0 HD22 LEU A 105 -0.126 -4.635 2.043 1.00 2.07 H new ATOM 0 HD23 LEU A 105 -1.513 -5.354 1.191 1.00 2.07 H new ATOM 1563 N GLY A 106 0.959 -4.414 4.533 1.00 0.52 N ATOM 1564 CA GLY A 106 1.911 -3.589 5.249 1.00 0.41 C ATOM 1565 C GLY A 106 2.460 -2.534 4.304 1.00 0.40 C ATOM 1566 O GLY A 106 3.238 -2.839 3.401 1.00 0.45 O ATOM 0 H GLY A 106 0.857 -4.167 3.549 1.00 0.52 H new ATOM 0 HA2 GLY A 106 1.430 -3.115 6.104 1.00 0.41 H new ATOM 0 HA3 GLY A 106 2.722 -4.203 5.640 1.00 0.41 H new ATOM 1570 N CYS A 107 1.999 -1.300 4.483 1.00 0.51 N ATOM 1571 CA CYS A 107 2.178 -0.211 3.540 1.00 0.71 C ATOM 1572 C CYS A 107 2.862 0.956 4.238 1.00 0.94 C ATOM 1573 O CYS A 107 2.454 1.320 5.342 1.00 1.48 O ATOM 1574 CB CYS A 107 0.821 0.250 3.013 1.00 0.97 C ATOM 1575 SG CYS A 107 -0.199 -0.837 1.981 1.00 1.38 S ATOM 0 H CYS A 107 1.475 -1.026 5.314 1.00 0.51 H new ATOM 0 HA CYS A 107 2.791 -0.558 2.708 1.00 0.71 H new ATOM 0 HB2 CYS A 107 0.219 0.525 3.879 1.00 0.97 H new ATOM 0 HB3 CYS A 107 0.994 1.162 2.442 1.00 0.97 H new ATOM 1580 N GLY A 108 3.883 1.541 3.609 1.00 0.68 N ATOM 1581 CA GLY A 108 4.719 2.583 4.196 1.00 0.79 C ATOM 1582 C GLY A 108 4.418 3.954 3.595 1.00 0.96 C ATOM 1583 O GLY A 108 3.447 4.100 2.859 1.00 1.68 O ATOM 0 H GLY A 108 4.155 1.296 2.657 1.00 0.68 H new ATOM 0 HA2 GLY A 108 4.558 2.615 5.274 1.00 0.79 H new ATOM 0 HA3 GLY A 108 5.769 2.339 4.038 1.00 0.79 H new ATOM 1587 N ARG A 109 5.245 4.958 3.888 1.00 0.69 N ATOM 1588 CA ARG A 109 5.198 6.282 3.275 1.00 0.67 C ATOM 1589 C ARG A 109 6.516 6.976 3.619 1.00 0.69 C ATOM 1590 O ARG A 109 6.799 7.160 4.799 1.00 0.98 O ATOM 1591 CB ARG A 109 4.015 7.090 3.840 1.00 0.82 C ATOM 1592 CG ARG A 109 3.706 8.378 3.058 1.00 0.83 C ATOM 1593 CD ARG A 109 3.275 9.482 4.035 1.00 1.21 C ATOM 1594 NE ARG A 109 2.666 10.649 3.369 1.00 1.67 N ATOM 1595 CZ ARG A 109 2.305 11.769 4.017 1.00 2.57 C ATOM 1596 NH1 ARG A 109 2.713 12.017 5.257 1.00 3.27 N ATOM 1597 NH2 ARG A 109 1.506 12.655 3.438 1.00 3.33 N ATOM 0 H ARG A 109 5.989 4.867 4.580 1.00 0.69 H new ATOM 0 HA ARG A 109 5.063 6.206 2.196 1.00 0.67 H new ATOM 0 HB2 ARG A 109 3.127 6.458 3.845 1.00 0.82 H new ATOM 0 HB3 ARG A 109 4.228 7.349 4.877 1.00 0.82 H new ATOM 0 HG2 ARG A 109 4.586 8.696 2.499 1.00 0.83 H new ATOM 0 HG3 ARG A 109 2.916 8.193 2.330 1.00 0.83 H new ATOM 0 HD2 ARG A 109 2.563 9.068 4.749 1.00 1.21 H new ATOM 0 HD3 ARG A 109 4.143 9.811 4.606 1.00 1.21 H new ATOM 0 HE ARG A 109 2.511 10.603 2.362 1.00 1.67 H new ATOM 0 HH11 ARG A 109 3.315 11.349 5.739 1.00 3.27 H new ATOM 0 HH12 ARG A 109 2.425 12.875 5.727 1.00 3.27 H new ATOM 0 HH21 ARG A 109 1.160 12.489 2.493 1.00 3.33 H new ATOM 0 HH22 ARG A 109 1.237 13.503 3.938 1.00 3.33 H new ATOM 1611 N ALA A 110 7.334 7.342 2.635 1.00 0.60 N ATOM 1612 CA ALA A 110 8.495 8.202 2.837 1.00 0.68 C ATOM 1613 C ALA A 110 8.405 9.328 1.818 1.00 0.75 C ATOM 1614 O ALA A 110 7.652 9.215 0.851 1.00 0.93 O ATOM 1615 CB ALA A 110 9.795 7.417 2.664 1.00 0.70 C ATOM 0 H ALA A 110 7.208 7.047 1.667 1.00 0.60 H new ATOM 0 HA ALA A 110 8.500 8.601 3.851 1.00 0.68 H new ATOM 0 HB1 ALA A 110 10.645 8.082 2.820 1.00 0.70 H new ATOM 0 HB2 ALA A 110 9.830 6.606 3.392 1.00 0.70 H new ATOM 0 HB3 ALA A 110 9.838 7.003 1.657 1.00 0.70 H new ATOM 1621 N ARG A 111 9.126 10.426 2.027 1.00 0.78 N ATOM 1622 CA ARG A 111 9.117 11.539 1.092 1.00 0.90 C ATOM 1623 C ARG A 111 10.300 11.399 0.133 1.00 1.15 C ATOM 1624 O ARG A 111 11.298 10.766 0.470 1.00 1.57 O ATOM 1625 CB ARG A 111 9.107 12.864 1.863 1.00 0.93 C ATOM 1626 CG ARG A 111 8.447 14.007 1.080 1.00 1.15 C ATOM 1627 CD ARG A 111 9.462 15.011 0.542 1.00 1.98 C ATOM 1628 NE ARG A 111 8.817 16.013 -0.326 1.00 2.91 N ATOM 1629 CZ ARG A 111 8.205 17.123 0.114 1.00 3.23 C ATOM 1630 NH1 ARG A 111 7.952 17.293 1.410 1.00 3.03 N ATOM 1631 NH2 ARG A 111 7.845 18.087 -0.724 1.00 4.56 N ATOM 0 H ARG A 111 9.725 10.566 2.840 1.00 0.78 H new ATOM 0 HA ARG A 111 8.212 11.531 0.485 1.00 0.90 H new ATOM 0 HB2 ARG A 111 8.580 12.725 2.807 1.00 0.93 H new ATOM 0 HB3 ARG A 111 10.132 13.143 2.109 1.00 0.93 H new ATOM 0 HG2 ARG A 111 7.877 13.592 0.249 1.00 1.15 H new ATOM 0 HG3 ARG A 111 7.738 14.524 1.727 1.00 1.15 H new ATOM 0 HD2 ARG A 111 9.957 15.512 1.374 1.00 1.98 H new ATOM 0 HD3 ARG A 111 10.235 14.485 -0.018 1.00 1.98 H new ATOM 0 HE ARG A 111 8.837 15.851 -1.333 1.00 2.91 H new ATOM 0 HH11 ARG A 111 8.224 16.575 2.081 1.00 3.03 H new ATOM 0 HH12 ARG A 111 7.486 18.141 1.732 1.00 3.03 H new ATOM 0 HH21 ARG A 111 8.033 17.992 -1.722 1.00 4.56 H new ATOM 0 HH22 ARG A 111 7.381 18.923 -0.370 1.00 4.56 H new ATOM 1645 N CYS A 112 10.176 11.936 -1.081 1.00 1.38 N ATOM 1646 CA CYS A 112 11.243 11.930 -2.070 1.00 1.56 C ATOM 1647 C CYS A 112 11.948 13.268 -2.098 1.00 1.40 C ATOM 1648 O CYS A 112 11.316 14.304 -2.293 1.00 1.68 O ATOM 1649 CB CYS A 112 10.755 11.648 -3.493 1.00 2.12 C ATOM 1650 SG CYS A 112 9.621 10.286 -3.764 1.00 2.74 S ATOM 0 H CYS A 112 9.322 12.391 -1.404 1.00 1.38 H new ATOM 0 HA CYS A 112 11.912 11.126 -1.764 1.00 1.56 H new ATOM 0 HB2 CYS A 112 10.276 12.555 -3.863 1.00 2.12 H new ATOM 0 HB3 CYS A 112 11.633 11.475 -4.115 1.00 2.12 H new ATOM 1655 N ASN A 113 13.278 13.231 -2.079 1.00 1.30 N ATOM 1656 CA ASN A 113 14.102 14.396 -2.383 1.00 1.61 C ATOM 1657 C ASN A 113 13.797 14.926 -3.778 1.00 1.89 C ATOM 1658 O ASN A 113 13.975 16.111 -4.043 1.00 2.56 O ATOM 1659 CB ASN A 113 15.583 14.052 -2.291 1.00 1.72 C ATOM 1660 CG ASN A 113 16.003 13.799 -0.855 1.00 2.53 C ATOM 1661 OD1 ASN A 113 15.322 13.079 -0.129 1.00 3.61 O ATOM 1662 ND2 ASN A 113 17.108 14.386 -0.432 1.00 3.13 N ATOM 0 H ASN A 113 13.814 12.393 -1.853 1.00 1.30 H new ATOM 0 HA ASN A 113 13.866 15.165 -1.647 1.00 1.61 H new ATOM 0 HB2 ASN A 113 15.791 13.168 -2.894 1.00 1.72 H new ATOM 0 HB3 ASN A 113 16.174 14.868 -2.707 1.00 1.72 H new ATOM 0 HD21 ASN A 113 17.423 14.248 0.528 1.00 3.13 H new ATOM 0 HD22 ASN A 113 17.646 14.977 -1.066 1.00 3.13 H new ATOM 1669 N ASN A 114 13.275 14.067 -4.661 1.00 1.76 N ATOM 1670 CA ASN A 114 12.846 14.479 -5.992 1.00 2.17 C ATOM 1671 C ASN A 114 11.688 15.484 -5.921 1.00 3.18 C ATOM 1672 O ASN A 114 11.342 16.066 -6.946 1.00 3.68 O ATOM 1673 CB ASN A 114 12.530 13.253 -6.885 1.00 2.02 C ATOM 1674 CG ASN A 114 11.063 12.845 -7.014 1.00 2.82 C ATOM 1675 OD1 ASN A 114 10.219 13.192 -6.203 1.00 3.66 O ATOM 1676 ND2 ASN A 114 10.734 12.066 -8.035 1.00 3.43 N ATOM 0 H ASN A 114 13.141 13.074 -4.470 1.00 1.76 H new ATOM 0 HA ASN A 114 13.675 15.002 -6.470 1.00 2.17 H new ATOM 0 HB2 ASN A 114 12.914 13.455 -7.885 1.00 2.02 H new ATOM 0 HB3 ASN A 114 13.086 12.399 -6.497 1.00 2.02 H new ATOM 0 HD21 ASN A 114 9.770 11.752 -8.147 1.00 3.43 H new ATOM 0 HD22 ASN A 114 11.445 11.780 -8.708 1.00 3.43 H new ATOM 1683 N GLY A 115 11.094 15.689 -4.744 1.00 3.77 N ATOM 1684 CA GLY A 115 10.049 16.658 -4.478 1.00 4.98 C ATOM 1685 C GLY A 115 8.794 15.930 -4.011 1.00 3.79 C ATOM 1686 O GLY A 115 8.121 16.367 -3.077 1.00 4.49 O ATOM 0 H GLY A 115 11.347 15.153 -3.914 1.00 3.77 H new ATOM 0 HA2 GLY A 115 10.378 17.365 -3.716 1.00 4.98 H new ATOM 0 HA3 GLY A 115 9.835 17.235 -5.377 1.00 4.98 H new ATOM 1690 N TRP A 116 8.484 14.816 -4.674 1.00 2.33 N ATOM 1691 CA TRP A 116 7.267 14.048 -4.494 1.00 1.74 C ATOM 1692 C TRP A 116 7.323 13.231 -3.192 1.00 1.45 C ATOM 1693 O TRP A 116 8.156 13.480 -2.323 1.00 1.84 O ATOM 1694 CB TRP A 116 7.065 13.167 -5.737 1.00 1.71 C ATOM 1695 CG TRP A 116 7.169 13.819 -7.090 1.00 2.11 C ATOM 1696 CD1 TRP A 116 7.105 15.142 -7.375 1.00 2.70 C ATOM 1697 CD2 TRP A 116 7.372 13.155 -8.373 1.00 2.25 C ATOM 1698 NE1 TRP A 116 7.286 15.333 -8.730 1.00 3.02 N ATOM 1699 CE2 TRP A 116 7.462 14.142 -9.395 1.00 2.76 C ATOM 1700 CE3 TRP A 116 7.490 11.807 -8.771 1.00 2.29 C ATOM 1701 CZ2 TRP A 116 7.678 13.811 -10.741 1.00 3.09 C ATOM 1702 CZ3 TRP A 116 7.773 11.466 -10.108 1.00 2.74 C ATOM 1703 CH2 TRP A 116 7.847 12.464 -11.096 1.00 3.05 C ATOM 0 H TRP A 116 9.103 14.414 -5.378 1.00 2.33 H new ATOM 0 HA TRP A 116 6.408 14.712 -4.394 1.00 1.74 H new ATOM 0 HB2 TRP A 116 7.798 12.361 -5.698 1.00 1.71 H new ATOM 0 HB3 TRP A 116 6.080 12.706 -5.663 1.00 1.71 H new ATOM 0 HD1 TRP A 116 6.938 15.927 -6.652 1.00 2.70 H new ATOM 0 HE1 TRP A 116 7.289 16.247 -9.183 1.00 3.02 H new ATOM 0 HE3 TRP A 116 7.361 11.024 -8.039 1.00 2.29 H new ATOM 0 HZ2 TRP A 116 7.714 14.584 -11.495 1.00 3.09 H new ATOM 0 HZ3 TRP A 116 7.934 10.432 -10.376 1.00 2.74 H new ATOM 0 HH2 TRP A 116 8.033 12.194 -12.125 1.00 3.05 H new ATOM 1714 N TRP A 117 6.459 12.219 -3.067 1.00 1.30 N ATOM 1715 CA TRP A 117 6.525 11.206 -2.020 1.00 1.31 C ATOM 1716 C TRP A 117 6.674 9.839 -2.671 1.00 1.36 C ATOM 1717 O TRP A 117 6.473 9.722 -3.877 1.00 2.04 O ATOM 1718 CB TRP A 117 5.274 11.240 -1.136 1.00 1.24 C ATOM 1719 CG TRP A 117 5.160 12.423 -0.228 1.00 1.30 C ATOM 1720 CD1 TRP A 117 4.952 13.691 -0.635 1.00 1.70 C ATOM 1721 CD2 TRP A 117 5.331 12.498 1.222 1.00 1.13 C ATOM 1722 NE1 TRP A 117 4.976 14.537 0.448 1.00 1.77 N ATOM 1723 CE2 TRP A 117 5.199 13.859 1.620 1.00 1.48 C ATOM 1724 CE3 TRP A 117 5.634 11.570 2.240 1.00 0.91 C ATOM 1725 CZ2 TRP A 117 5.362 14.281 2.945 1.00 1.60 C ATOM 1726 CZ3 TRP A 117 5.813 11.980 3.575 1.00 1.15 C ATOM 1727 CH2 TRP A 117 5.711 13.339 3.922 1.00 1.45 C ATOM 0 H TRP A 117 5.678 12.082 -3.708 1.00 1.30 H new ATOM 0 HA TRP A 117 7.384 11.410 -1.380 1.00 1.31 H new ATOM 0 HB2 TRP A 117 4.395 11.212 -1.779 1.00 1.24 H new ATOM 0 HB3 TRP A 117 5.254 10.335 -0.529 1.00 1.24 H new ATOM 0 HD1 TRP A 117 4.791 13.996 -1.658 1.00 1.70 H new ATOM 0 HE1 TRP A 117 4.844 15.547 0.388 1.00 1.77 H new ATOM 0 HE3 TRP A 117 5.731 10.524 1.990 1.00 0.91 H new ATOM 0 HZ2 TRP A 117 5.221 15.318 3.210 1.00 1.60 H new ATOM 0 HZ3 TRP A 117 6.030 11.246 4.337 1.00 1.15 H new ATOM 0 HH2 TRP A 117 5.901 13.655 4.937 1.00 1.45 H new ATOM 1738 N PHE A 118 7.043 8.841 -1.874 1.00 0.81 N ATOM 1739 CA PHE A 118 7.122 7.435 -2.237 1.00 0.73 C ATOM 1740 C PHE A 118 6.280 6.642 -1.246 1.00 0.61 C ATOM 1741 O PHE A 118 6.594 6.626 -0.056 1.00 0.77 O ATOM 1742 CB PHE A 118 8.578 6.960 -2.170 1.00 0.75 C ATOM 1743 CG PHE A 118 8.832 5.621 -2.834 1.00 0.80 C ATOM 1744 CD1 PHE A 118 9.176 5.561 -4.196 1.00 1.86 C ATOM 1745 CD2 PHE A 118 8.811 4.440 -2.070 1.00 2.14 C ATOM 1746 CE1 PHE A 118 9.536 4.334 -4.778 1.00 1.83 C ATOM 1747 CE2 PHE A 118 9.228 3.224 -2.640 1.00 2.30 C ATOM 1748 CZ PHE A 118 9.579 3.168 -3.998 1.00 1.10 C ATOM 0 H PHE A 118 7.309 9.004 -0.903 1.00 0.81 H new ATOM 0 HA PHE A 118 6.753 7.288 -3.252 1.00 0.73 H new ATOM 0 HB2 PHE A 118 9.214 7.711 -2.639 1.00 0.75 H new ATOM 0 HB3 PHE A 118 8.879 6.896 -1.124 1.00 0.75 H new ATOM 0 HD1 PHE A 118 9.163 6.459 -4.796 1.00 1.86 H new ATOM 0 HD2 PHE A 118 8.474 4.467 -1.044 1.00 2.14 H new ATOM 0 HE1 PHE A 118 9.780 4.288 -5.829 1.00 1.83 H new ATOM 0 HE2 PHE A 118 9.278 2.332 -2.032 1.00 2.30 H new ATOM 0 HZ PHE A 118 9.881 2.231 -4.441 1.00 1.10 H new ATOM 1758 N ILE A 119 5.220 5.991 -1.712 1.00 0.53 N ATOM 1759 CA ILE A 119 4.588 4.926 -0.956 1.00 0.50 C ATOM 1760 C ILE A 119 4.991 3.637 -1.651 1.00 0.53 C ATOM 1761 O ILE A 119 4.669 3.476 -2.829 1.00 0.58 O ATOM 1762 CB ILE A 119 3.054 5.071 -0.938 1.00 0.57 C ATOM 1763 CG1 ILE A 119 2.569 6.177 0.013 1.00 0.62 C ATOM 1764 CG2 ILE A 119 2.403 3.756 -0.480 1.00 0.66 C ATOM 1765 CD1 ILE A 119 2.861 7.594 -0.475 1.00 1.12 C ATOM 0 H ILE A 119 4.782 6.186 -2.613 1.00 0.53 H new ATOM 0 HA ILE A 119 4.906 4.948 0.086 1.00 0.50 H new ATOM 0 HB ILE A 119 2.765 5.330 -1.957 1.00 0.57 H new ATOM 0 HG12 ILE A 119 1.494 6.069 0.159 1.00 0.62 H new ATOM 0 HG13 ILE A 119 3.039 6.036 0.986 1.00 0.62 H new ATOM 0 HG21 ILE A 119 1.319 3.870 -0.471 1.00 0.66 H new ATOM 0 HG22 ILE A 119 2.678 2.955 -1.167 1.00 0.66 H new ATOM 0 HG23 ILE A 119 2.750 3.508 0.523 1.00 0.66 H new ATOM 0 HD11 ILE A 119 2.487 8.314 0.253 1.00 1.12 H new ATOM 0 HD12 ILE A 119 3.937 7.724 -0.594 1.00 1.12 H new ATOM 0 HD13 ILE A 119 2.368 7.758 -1.433 1.00 1.12 H new ATOM 1777 N SER A 120 5.652 2.742 -0.923 1.00 0.76 N ATOM 1778 CA SER A 120 5.724 1.331 -1.250 1.00 0.68 C ATOM 1779 C SER A 120 4.699 0.612 -0.390 1.00 0.59 C ATOM 1780 O SER A 120 4.321 1.110 0.681 1.00 0.63 O ATOM 1781 CB SER A 120 7.119 0.770 -0.958 1.00 0.82 C ATOM 1782 OG SER A 120 7.822 1.574 -0.020 1.00 1.46 O ATOM 0 H SER A 120 6.161 2.987 -0.074 1.00 0.76 H new ATOM 0 HA SER A 120 5.523 1.187 -2.312 1.00 0.68 H new ATOM 0 HB2 SER A 120 7.030 -0.246 -0.572 1.00 0.82 H new ATOM 0 HB3 SER A 120 7.689 0.710 -1.885 1.00 0.82 H new ATOM 0 HG SER A 120 7.933 1.078 0.818 1.00 1.46 H new ATOM 1788 N CYS A 121 4.288 -0.575 -0.812 1.00 0.65 N ATOM 1789 CA CYS A 121 3.474 -1.421 0.025 1.00 0.59 C ATOM 1790 C CYS A 121 3.682 -2.875 -0.318 1.00 0.51 C ATOM 1791 O CYS A 121 3.392 -3.293 -1.433 1.00 0.72 O ATOM 1792 CB CYS A 121 2.007 -1.058 -0.071 1.00 0.73 C ATOM 1793 SG CYS A 121 1.102 -2.142 1.027 1.00 1.72 S ATOM 0 H CYS A 121 4.508 -0.967 -1.728 1.00 0.65 H new ATOM 0 HA CYS A 121 3.789 -1.258 1.056 1.00 0.59 H new ATOM 0 HB2 CYS A 121 1.852 -0.016 0.208 1.00 0.73 H new ATOM 0 HB3 CYS A 121 1.652 -1.169 -1.096 1.00 0.73 H new ATOM 1798 N ASN A 122 4.192 -3.640 0.642 1.00 0.49 N ATOM 1799 CA ASN A 122 4.621 -5.000 0.400 1.00 0.50 C ATOM 1800 C ASN A 122 3.478 -5.943 0.765 1.00 0.51 C ATOM 1801 O ASN A 122 2.629 -5.618 1.596 1.00 0.54 O ATOM 1802 CB ASN A 122 5.915 -5.282 1.167 1.00 0.64 C ATOM 1803 CG ASN A 122 6.667 -6.474 0.581 1.00 1.21 C ATOM 1804 OD1 ASN A 122 6.166 -7.595 0.560 1.00 2.72 O ATOM 1805 ND2 ASN A 122 7.886 -6.275 0.097 1.00 1.28 N ATOM 0 H ASN A 122 4.317 -3.329 1.605 1.00 0.49 H new ATOM 0 HA ASN A 122 4.853 -5.160 -0.653 1.00 0.50 H new ATOM 0 HB2 ASN A 122 6.554 -4.399 1.141 1.00 0.64 H new ATOM 0 HB3 ASN A 122 5.683 -5.476 2.214 1.00 0.64 H new ATOM 0 HD21 ASN A 122 8.413 -7.055 -0.295 1.00 1.28 H new ATOM 0 HD22 ASN A 122 8.297 -5.342 0.117 1.00 1.28 H new ATOM 1812 N TYR A 123 3.435 -7.097 0.112 1.00 0.55 N ATOM 1813 CA TYR A 123 2.386 -8.096 0.208 1.00 0.60 C ATOM 1814 C TYR A 123 3.066 -9.459 0.316 1.00 0.69 C ATOM 1815 O TYR A 123 3.989 -9.737 -0.454 1.00 0.82 O ATOM 1816 CB TYR A 123 1.514 -8.042 -1.054 1.00 0.56 C ATOM 1817 CG TYR A 123 0.766 -6.740 -1.283 1.00 0.48 C ATOM 1818 CD1 TYR A 123 1.412 -5.655 -1.904 1.00 1.86 C ATOM 1819 CD2 TYR A 123 -0.611 -6.656 -1.003 1.00 1.61 C ATOM 1820 CE1 TYR A 123 0.695 -4.487 -2.209 1.00 1.79 C ATOM 1821 CE2 TYR A 123 -1.331 -5.494 -1.338 1.00 1.68 C ATOM 1822 CZ TYR A 123 -0.669 -4.395 -1.906 1.00 0.45 C ATOM 1823 OH TYR A 123 -1.377 -3.293 -2.276 1.00 0.53 O ATOM 0 H TYR A 123 4.174 -7.374 -0.534 1.00 0.55 H new ATOM 0 HA TYR A 123 1.750 -7.917 1.075 1.00 0.60 H new ATOM 0 HB2 TYR A 123 2.148 -8.232 -1.920 1.00 0.56 H new ATOM 0 HB3 TYR A 123 0.788 -8.853 -1.006 1.00 0.56 H new ATOM 0 HD1 TYR A 123 2.462 -5.721 -2.147 1.00 1.86 H new ATOM 0 HD2 TYR A 123 -1.116 -7.485 -0.530 1.00 1.61 H new ATOM 0 HE1 TYR A 123 1.198 -3.655 -2.680 1.00 1.79 H new ATOM 0 HE2 TYR A 123 -2.395 -5.448 -1.158 1.00 1.68 H new ATOM 0 HH TYR A 123 -1.130 -3.037 -3.189 1.00 0.53 H new ATOM 1833 N ASP A 124 2.622 -10.298 1.254 1.00 0.80 N ATOM 1834 CA ASP A 124 3.079 -11.677 1.399 1.00 0.86 C ATOM 1835 C ASP A 124 1.875 -12.604 1.218 1.00 0.85 C ATOM 1836 O ASP A 124 0.809 -12.260 1.736 1.00 0.83 O ATOM 1837 CB ASP A 124 3.722 -11.880 2.776 1.00 0.91 C ATOM 1838 CG ASP A 124 4.513 -13.166 2.811 1.00 1.29 C ATOM 1839 OD1 ASP A 124 3.892 -14.229 2.982 1.00 1.89 O ATOM 1840 OD2 ASP A 124 5.746 -13.113 2.613 1.00 2.53 O ATOM 0 H ASP A 124 1.922 -10.031 1.946 1.00 0.80 H new ATOM 0 HA ASP A 124 3.833 -11.906 0.645 1.00 0.86 H new ATOM 0 HB2 ASP A 124 4.376 -11.039 3.005 1.00 0.91 H new ATOM 0 HB3 ASP A 124 2.949 -11.902 3.544 1.00 0.91 H new ATOM 1845 N PRO A 125 1.977 -13.750 0.522 1.00 0.91 N ATOM 1846 CA PRO A 125 3.071 -14.150 -0.356 1.00 0.99 C ATOM 1847 C PRO A 125 3.100 -13.277 -1.620 1.00 1.01 C ATOM 1848 O PRO A 125 2.313 -12.337 -1.743 1.00 1.04 O ATOM 1849 CB PRO A 125 2.806 -15.627 -0.674 1.00 1.08 C ATOM 1850 CG PRO A 125 1.287 -15.757 -0.559 1.00 1.07 C ATOM 1851 CD PRO A 125 0.917 -14.742 0.519 1.00 0.94 C ATOM 0 HA PRO A 125 4.049 -14.020 0.107 1.00 0.99 H new ATOM 0 HB2 PRO A 125 3.156 -15.890 -1.672 1.00 1.08 H new ATOM 0 HB3 PRO A 125 3.318 -16.286 0.027 1.00 1.08 H new ATOM 0 HG2 PRO A 125 0.793 -15.534 -1.505 1.00 1.07 H new ATOM 0 HG3 PRO A 125 0.992 -16.767 -0.276 1.00 1.07 H new ATOM 0 HD2 PRO A 125 -0.047 -14.281 0.305 1.00 0.94 H new ATOM 0 HD3 PRO A 125 0.831 -15.223 1.493 1.00 0.94 H new ATOM 1859 N VAL A 126 4.026 -13.553 -2.550 1.00 1.04 N ATOM 1860 CA VAL A 126 4.254 -12.639 -3.669 1.00 1.03 C ATOM 1861 C VAL A 126 3.023 -12.449 -4.550 1.00 0.94 C ATOM 1862 O VAL A 126 2.143 -13.303 -4.643 1.00 0.90 O ATOM 1863 CB VAL A 126 5.512 -12.933 -4.509 1.00 1.16 C ATOM 1864 CG1 VAL A 126 6.678 -13.375 -3.632 1.00 1.37 C ATOM 1865 CG2 VAL A 126 5.317 -13.910 -5.676 1.00 1.44 C ATOM 0 H VAL A 126 4.616 -14.385 -2.548 1.00 1.04 H new ATOM 0 HA VAL A 126 4.456 -11.688 -3.177 1.00 1.03 H new ATOM 0 HB VAL A 126 5.744 -11.976 -4.977 1.00 1.16 H new ATOM 0 HG11 VAL A 126 7.548 -13.574 -4.257 1.00 1.37 H new ATOM 0 HG12 VAL A 126 6.916 -12.586 -2.919 1.00 1.37 H new ATOM 0 HG13 VAL A 126 6.404 -14.282 -3.092 1.00 1.37 H new ATOM 0 HG21 VAL A 126 6.264 -14.045 -6.199 1.00 1.44 H new ATOM 0 HG22 VAL A 126 4.974 -14.871 -5.293 1.00 1.44 H new ATOM 0 HG23 VAL A 126 4.575 -13.509 -6.366 1.00 1.44 H new ATOM 1875 N GLY A 127 3.001 -11.297 -5.204 1.00 1.11 N ATOM 1876 CA GLY A 127 1.842 -10.716 -5.832 1.00 1.05 C ATOM 1877 C GLY A 127 1.967 -10.618 -7.346 1.00 0.91 C ATOM 1878 O GLY A 127 3.038 -10.837 -7.912 1.00 1.47 O ATOM 0 H GLY A 127 3.836 -10.721 -5.312 1.00 1.11 H new ATOM 0 HA2 GLY A 127 0.965 -11.313 -5.584 1.00 1.05 H new ATOM 0 HA3 GLY A 127 1.676 -9.720 -5.422 1.00 1.05 H new ATOM 1882 N ASN A 128 0.852 -10.292 -8.003 1.00 0.71 N ATOM 1883 CA ASN A 128 0.709 -10.075 -9.446 1.00 0.81 C ATOM 1884 C ASN A 128 1.054 -11.298 -10.304 1.00 1.34 C ATOM 1885 O ASN A 128 1.070 -11.227 -11.534 1.00 2.04 O ATOM 1886 CB ASN A 128 1.538 -8.870 -9.907 1.00 0.98 C ATOM 1887 CG ASN A 128 1.132 -7.550 -9.268 1.00 1.32 C ATOM 1888 OD1 ASN A 128 0.167 -6.925 -9.697 1.00 1.95 O ATOM 1889 ND2 ASN A 128 1.885 -7.069 -8.287 1.00 2.42 N ATOM 0 H ASN A 128 -0.032 -10.164 -7.511 1.00 0.71 H new ATOM 0 HA ASN A 128 -0.352 -9.878 -9.598 1.00 0.81 H new ATOM 0 HB2 ASN A 128 2.588 -9.060 -9.685 1.00 0.98 H new ATOM 0 HB3 ASN A 128 1.453 -8.778 -10.990 1.00 0.98 H new ATOM 0 HD21 ASN A 128 1.666 -6.162 -7.874 1.00 2.42 H new ATOM 0 HD22 ASN A 128 2.682 -7.606 -7.946 1.00 2.42 H new ATOM 1896 N TRP A 129 1.378 -12.396 -9.641 1.00 1.18 N ATOM 1897 CA TRP A 129 2.132 -13.526 -10.136 1.00 1.44 C ATOM 1898 C TRP A 129 1.264 -14.692 -10.629 1.00 1.54 C ATOM 1899 O TRP A 129 0.135 -14.893 -10.180 1.00 1.61 O ATOM 1900 CB TRP A 129 3.160 -13.852 -9.043 1.00 1.29 C ATOM 1901 CG TRP A 129 3.379 -15.259 -8.634 1.00 1.26 C ATOM 1902 CD1 TRP A 129 2.827 -15.831 -7.545 1.00 1.13 C ATOM 1903 CD2 TRP A 129 4.364 -16.200 -9.134 1.00 1.73 C ATOM 1904 NE1 TRP A 129 3.414 -17.059 -7.330 1.00 1.32 N ATOM 1905 CE2 TRP A 129 4.383 -17.330 -8.269 1.00 1.54 C ATOM 1906 CE3 TRP A 129 5.309 -16.164 -10.177 1.00 2.46 C ATOM 1907 CZ2 TRP A 129 5.295 -18.381 -8.431 1.00 1.89 C ATOM 1908 CZ3 TRP A 129 6.270 -17.180 -10.304 1.00 2.78 C ATOM 1909 CH2 TRP A 129 6.244 -18.305 -9.463 1.00 2.46 C ATOM 0 H TRP A 129 1.097 -12.526 -8.669 1.00 1.18 H new ATOM 0 HA TRP A 129 2.658 -13.286 -11.060 1.00 1.44 H new ATOM 0 HB2 TRP A 129 4.121 -13.456 -9.372 1.00 1.29 H new ATOM 0 HB3 TRP A 129 2.874 -13.295 -8.151 1.00 1.29 H new ATOM 0 HD1 TRP A 129 2.048 -15.395 -6.937 1.00 1.13 H new ATOM 0 HE1 TRP A 129 3.162 -17.689 -6.569 1.00 1.32 H new ATOM 0 HE3 TRP A 129 5.295 -15.349 -10.885 1.00 2.46 H new ATOM 0 HZ2 TRP A 129 5.269 -19.236 -7.772 1.00 1.89 H new ATOM 0 HZ3 TRP A 129 7.039 -17.095 -11.058 1.00 2.78 H new ATOM 0 HH2 TRP A 129 6.951 -19.108 -9.610 1.00 2.46 H new ATOM 1920 N ILE A 130 1.807 -15.471 -11.567 1.00 1.81 N ATOM 1921 CA ILE A 130 1.187 -16.686 -12.075 1.00 1.89 C ATOM 1922 C ILE A 130 0.949 -17.695 -10.949 1.00 1.80 C ATOM 1923 O ILE A 130 1.511 -17.576 -9.863 1.00 1.85 O ATOM 1924 CB ILE A 130 2.034 -17.245 -13.241 1.00 2.23 C ATOM 1925 CG1 ILE A 130 1.193 -17.470 -14.502 1.00 2.62 C ATOM 1926 CG2 ILE A 130 2.807 -18.526 -12.919 1.00 2.34 C ATOM 1927 CD1 ILE A 130 0.877 -16.148 -15.193 1.00 3.18 C ATOM 0 H ILE A 130 2.708 -15.267 -12.000 1.00 1.81 H new ATOM 0 HA ILE A 130 0.198 -16.461 -12.474 1.00 1.89 H new ATOM 0 HB ILE A 130 2.775 -16.466 -13.419 1.00 2.23 H new ATOM 0 HG12 ILE A 130 1.730 -18.124 -15.189 1.00 2.62 H new ATOM 0 HG13 ILE A 130 0.265 -17.977 -14.238 1.00 2.62 H new ATOM 0 HG21 ILE A 130 3.371 -18.841 -13.797 1.00 2.34 H new ATOM 0 HG22 ILE A 130 3.495 -18.338 -12.094 1.00 2.34 H new ATOM 0 HG23 ILE A 130 2.107 -19.312 -12.636 1.00 2.34 H new ATOM 0 HD11 ILE A 130 0.279 -16.337 -16.085 1.00 3.18 H new ATOM 0 HD12 ILE A 130 0.319 -15.506 -14.512 1.00 3.18 H new ATOM 0 HD13 ILE A 130 1.807 -15.655 -15.477 1.00 3.18 H new ATOM 1939 N GLY A 131 0.097 -18.694 -11.189 1.00 2.02 N ATOM 1940 CA GLY A 131 -0.156 -19.754 -10.221 1.00 2.28 C ATOM 1941 C GLY A 131 -1.135 -19.295 -9.142 1.00 2.13 C ATOM 1942 O GLY A 131 -2.117 -19.981 -8.872 1.00 2.82 O ATOM 0 H GLY A 131 -0.432 -18.788 -12.056 1.00 2.02 H new ATOM 0 HA2 GLY A 131 -0.558 -20.629 -10.732 1.00 2.28 H new ATOM 0 HA3 GLY A 131 0.783 -20.059 -9.758 1.00 2.28 H new ATOM 1946 N GLN A 132 -0.917 -18.110 -8.574 1.00 1.80 N ATOM 1947 CA GLN A 132 -1.652 -17.646 -7.413 1.00 1.98 C ATOM 1948 C GLN A 132 -2.980 -17.038 -7.864 1.00 1.96 C ATOM 1949 O GLN A 132 -4.027 -17.469 -7.388 1.00 3.38 O ATOM 1950 CB GLN A 132 -0.803 -16.613 -6.665 1.00 1.92 C ATOM 1951 CG GLN A 132 0.038 -17.216 -5.528 1.00 2.23 C ATOM 1952 CD GLN A 132 0.626 -16.104 -4.671 1.00 2.34 C ATOM 1953 OE1 GLN A 132 -0.093 -15.197 -4.286 1.00 3.18 O ATOM 1954 NE2 GLN A 132 1.908 -16.111 -4.358 1.00 2.46 N ATOM 0 H GLN A 132 -0.221 -17.446 -8.913 1.00 1.80 H new ATOM 0 HA GLN A 132 -1.865 -18.478 -6.741 1.00 1.98 H new ATOM 0 HB2 GLN A 132 -0.139 -16.118 -7.374 1.00 1.92 H new ATOM 0 HB3 GLN A 132 -1.458 -15.846 -6.253 1.00 1.92 H new ATOM 0 HG2 GLN A 132 -0.581 -17.871 -4.915 1.00 2.23 H new ATOM 0 HG3 GLN A 132 0.838 -17.829 -5.942 1.00 2.23 H new ATOM 0 HE21 GLN A 132 2.508 -16.870 -4.681 1.00 2.46 H new ATOM 0 HE22 GLN A 132 2.299 -15.357 -3.793 1.00 2.46 H new ATOM 1963 N ARG A 133 -2.956 -16.094 -8.807 1.00 1.89 N ATOM 1964 CA ARG A 133 -4.135 -15.452 -9.403 1.00 1.68 C ATOM 1965 C ARG A 133 -4.727 -14.374 -8.473 1.00 1.19 C ATOM 1966 O ARG A 133 -4.802 -14.592 -7.260 1.00 1.06 O ATOM 1967 CB ARG A 133 -5.230 -16.458 -9.812 1.00 1.86 C ATOM 1968 CG ARG A 133 -4.718 -17.621 -10.678 1.00 2.82 C ATOM 1969 CD ARG A 133 -5.458 -18.931 -10.367 1.00 3.39 C ATOM 1970 NE ARG A 133 -5.133 -19.422 -9.010 1.00 4.78 N ATOM 1971 CZ ARG A 133 -4.950 -20.700 -8.635 1.00 6.24 C ATOM 1972 NH1 ARG A 133 -5.136 -21.692 -9.513 1.00 6.49 N ATOM 1973 NH2 ARG A 133 -4.595 -20.991 -7.383 1.00 7.96 N ATOM 0 H ARG A 133 -2.081 -15.740 -9.193 1.00 1.89 H new ATOM 0 HA ARG A 133 -3.778 -14.973 -10.315 1.00 1.68 H new ATOM 0 HB2 ARG A 133 -5.691 -16.864 -8.911 1.00 1.86 H new ATOM 0 HB3 ARG A 133 -6.010 -15.928 -10.358 1.00 1.86 H new ATOM 0 HG2 ARG A 133 -4.845 -17.373 -11.732 1.00 2.82 H new ATOM 0 HG3 ARG A 133 -3.650 -17.758 -10.509 1.00 2.82 H new ATOM 0 HD2 ARG A 133 -6.533 -18.773 -10.451 1.00 3.39 H new ATOM 0 HD3 ARG A 133 -5.189 -19.687 -11.104 1.00 3.39 H new ATOM 0 HE ARG A 133 -5.038 -18.715 -8.281 1.00 4.78 H new ATOM 0 HH11 ARG A 133 -5.417 -21.480 -10.470 1.00 6.49 H new ATOM 0 HH12 ARG A 133 -4.996 -22.661 -9.225 1.00 6.49 H new ATOM 0 HH21 ARG A 133 -4.461 -20.242 -6.704 1.00 7.96 H new ATOM 0 HH22 ARG A 133 -4.458 -21.963 -7.105 1.00 7.96 H new ATOM 1987 N PRO A 134 -5.147 -13.221 -9.023 1.00 1.04 N ATOM 1988 CA PRO A 134 -5.648 -12.097 -8.249 1.00 0.78 C ATOM 1989 C PRO A 134 -7.008 -12.366 -7.615 1.00 0.64 C ATOM 1990 O PRO A 134 -7.187 -12.138 -6.423 1.00 0.72 O ATOM 1991 CB PRO A 134 -5.739 -10.905 -9.210 1.00 0.81 C ATOM 1992 CG PRO A 134 -5.712 -11.514 -10.611 1.00 1.00 C ATOM 1993 CD PRO A 134 -5.081 -12.893 -10.439 1.00 1.21 C ATOM 0 HA PRO A 134 -4.969 -11.904 -7.418 1.00 0.78 H new ATOM 0 HB2 PRO A 134 -6.654 -10.336 -9.046 1.00 0.81 H new ATOM 0 HB3 PRO A 134 -4.906 -10.217 -9.064 1.00 0.81 H new ATOM 0 HG2 PRO A 134 -6.717 -11.590 -11.026 1.00 1.00 H new ATOM 0 HG3 PRO A 134 -5.130 -10.898 -11.296 1.00 1.00 H new ATOM 0 HD2 PRO A 134 -5.614 -13.637 -11.032 1.00 1.21 H new ATOM 0 HD3 PRO A 134 -4.048 -12.890 -10.786 1.00 1.21 H new ATOM 2001 N TYR A 135 -7.977 -12.778 -8.423 1.00 0.69 N ATOM 2002 CA TYR A 135 -9.375 -12.920 -8.059 1.00 0.66 C ATOM 2003 C TYR A 135 -9.937 -14.124 -8.812 1.00 0.85 C ATOM 2004 O TYR A 135 -9.086 -14.841 -9.387 1.00 1.74 O ATOM 2005 CB TYR A 135 -10.174 -11.624 -8.344 1.00 0.58 C ATOM 2006 CG TYR A 135 -10.288 -11.083 -9.765 1.00 0.57 C ATOM 2007 CD1 TYR A 135 -9.410 -11.457 -10.795 1.00 2.10 C ATOM 2008 CD2 TYR A 135 -11.178 -10.020 -9.998 1.00 1.80 C ATOM 2009 CE1 TYR A 135 -9.259 -10.630 -11.917 1.00 2.25 C ATOM 2010 CE2 TYR A 135 -11.138 -9.281 -11.194 1.00 1.86 C ATOM 2011 CZ TYR A 135 -10.122 -9.547 -12.126 1.00 1.10 C ATOM 2012 OH TYR A 135 -9.939 -8.775 -13.233 1.00 1.54 O ATOM 2013 OXT TYR A 135 -11.005 -14.600 -8.373 1.00 1.66 O ATOM 0 H TYR A 135 -7.798 -13.033 -9.394 1.00 0.69 H new ATOM 0 HA TYR A 135 -9.467 -13.089 -6.986 1.00 0.66 H new ATOM 0 HB2 TYR A 135 -11.188 -11.784 -7.978 1.00 0.58 H new ATOM 0 HB3 TYR A 135 -9.736 -10.835 -7.733 1.00 0.58 H new ATOM 0 HD1 TYR A 135 -8.853 -12.379 -10.723 1.00 2.10 H new ATOM 0 HD2 TYR A 135 -11.907 -9.766 -9.243 1.00 1.80 H new ATOM 0 HE1 TYR A 135 -8.470 -10.830 -12.627 1.00 2.25 H new ATOM 0 HE2 TYR A 135 -11.878 -8.520 -11.393 1.00 1.86 H new ATOM 0 HH TYR A 135 -10.793 -8.669 -13.703 1.00 1.54 H new TER 2023 TYR A 135