USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 51 HIS : no HE2:sc= -3.45! K(o=-3.2!,f=0.38) USER MOD Set 1.2: A 66 TYR OH : rot -105:sc= 0.226 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.11 K(o=-2.4,f=-8.4!) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.28 K(o=-2.4,f=-5.2!) USER MOD Set 3.1: A 6 MET CE :methyl 159:sc= -0.122 (180deg=-0.733) USER MOD Set 3.2: A 8 GLN : amide:sc= -1.18! K(o=-1.3!,f=-0.68) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 113:sc=0.000447 USER MOD Single : A 17 ASN : amide:sc= -0.812 K(o=-0.81,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0.711 (180deg=-0.13) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 24 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 92:sc= 0.425 USER MOD Single : A 31 HIS : no HD1:sc= -1.71! K(o=-1.7!,f=0.44) USER MOD Single : A 33 SER OG : rot 69:sc= -0.723 USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= 0.787 (180deg=-1.3!) USER MOD Single : A 42 ASN : amide:sc= -6.33! C(o=-6.3!,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.202) USER MOD Single : A 52 SER OG : rot -157:sc= 1.23 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -23:sc= 0.233 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.01) USER MOD Single : A 61 SER OG : rot 117:sc= 1.35 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 14:sc= 0.222 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -157:sc= 0.185 USER MOD Single : A 83 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.2!) USER MOD Single : A 84 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-11!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -44:sc= 0.105 USER MOD Single : A 89 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.2) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -0.292 (180deg=-1.04) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.570 -7.732 7.627 1.00 0.00 N ATOM 2 CA MET A 6 5.123 -7.605 7.549 1.00 0.00 C ATOM 3 C MET A 6 4.729 -6.166 7.250 1.00 0.00 C ATOM 4 O MET A 6 5.229 -5.231 7.877 1.00 0.00 O ATOM 5 CB MET A 6 4.472 -8.050 8.862 1.00 0.00 C ATOM 6 CG MET A 6 2.950 -8.035 8.822 1.00 0.00 C ATOM 7 SD MET A 6 2.206 -8.352 10.437 1.00 0.00 S ATOM 8 CE MET A 6 2.721 -6.891 11.341 1.00 0.00 C ATOM 0 HA MET A 6 4.772 -8.247 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.811 -9.057 9.103 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.813 -7.398 9.666 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.610 -7.067 8.454 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.602 -8.786 8.113 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.064 -6.743 12.198 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.746 -7.021 11.688 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.667 -6.021 10.687 1.00 0.00 H new ATOM 17 N ILE A 7 3.835 -5.995 6.289 1.00 0.00 N ATOM 18 CA ILE A 7 3.324 -4.674 5.946 1.00 0.00 C ATOM 19 C ILE A 7 2.101 -4.373 6.804 1.00 0.00 C ATOM 20 O ILE A 7 1.406 -5.287 7.243 1.00 0.00 O ATOM 21 CB ILE A 7 2.896 -4.593 4.451 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.842 -5.387 3.548 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.825 -3.148 3.968 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.181 -5.853 2.265 1.00 0.00 C ATOM 0 H ILE A 7 3.447 -6.755 5.731 1.00 0.00 H new ATOM 0 HA ILE A 7 4.122 -3.953 6.124 1.00 0.00 H new ATOM 0 HB ILE A 7 1.902 -5.035 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.705 -4.769 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.215 -6.253 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.523 -3.129 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.096 -2.600 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.804 -2.681 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.901 -6.410 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.334 -6.496 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.832 -4.988 1.701 1.00 0.00 H new ATOM 36 N GLN A 8 1.845 -3.099 7.054 1.00 0.00 N ATOM 37 CA GLN A 8 0.652 -2.701 7.784 1.00 0.00 C ATOM 38 C GLN A 8 -0.046 -1.546 7.071 1.00 0.00 C ATOM 39 O GLN A 8 0.504 -0.449 6.966 1.00 0.00 O ATOM 40 CB GLN A 8 1.011 -2.301 9.216 1.00 0.00 C ATOM 41 CG GLN A 8 1.492 -3.466 10.084 1.00 0.00 C ATOM 42 CD GLN A 8 1.812 -3.036 11.504 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.674 -3.615 12.166 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.112 -2.021 11.983 1.00 0.00 N ATOM 0 H GLN A 8 2.444 -2.326 6.764 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.030 -3.550 7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.789 -1.538 9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.138 -1.847 9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.725 -4.240 10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.380 -3.909 9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.407 -1.568 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.278 -1.691 12.934 1.00 0.00 H new ATOM 53 N VAL A 9 -1.241 -1.807 6.553 1.00 0.00 N ATOM 54 CA VAL A 9 -2.030 -0.774 5.884 1.00 0.00 C ATOM 55 C VAL A 9 -3.014 -0.111 6.838 1.00 0.00 C ATOM 56 O VAL A 9 -3.483 -0.730 7.796 1.00 0.00 O ATOM 57 CB VAL A 9 -2.808 -1.330 4.668 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.881 -1.526 3.484 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.494 -2.637 5.030 1.00 0.00 C ATOM 0 H VAL A 9 -1.686 -2.724 6.582 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.313 -0.032 5.533 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.572 -0.604 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.448 -1.918 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.434 -0.570 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.094 -2.231 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.037 -3.015 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.746 -3.368 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.192 -2.467 5.850 1.00 0.00 H new ATOM 69 N TYR A 10 -3.321 1.148 6.547 1.00 0.00 N ATOM 70 CA TYR A 10 -4.202 1.980 7.363 1.00 0.00 C ATOM 71 C TYR A 10 -4.748 3.109 6.503 1.00 0.00 C ATOM 72 O TYR A 10 -4.365 3.243 5.339 1.00 0.00 O ATOM 73 CB TYR A 10 -3.461 2.562 8.576 1.00 0.00 C ATOM 74 CG TYR A 10 -3.290 1.575 9.721 1.00 0.00 C ATOM 75 CD1 TYR A 10 -4.398 1.015 10.357 1.00 0.00 C ATOM 76 CD2 TYR A 10 -2.025 1.192 10.157 1.00 0.00 C ATOM 77 CE1 TYR A 10 -4.245 0.099 11.388 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.869 0.281 11.191 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.980 -0.259 11.799 1.00 0.00 C ATOM 80 OH TYR A 10 -2.827 -1.170 12.819 1.00 0.00 O ATOM 0 H TYR A 10 -2.959 1.629 5.723 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.017 1.361 7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.478 2.909 8.258 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.005 3.434 8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.391 1.299 10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.150 1.611 9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.113 -0.331 11.866 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.880 -0.004 11.518 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.873 -1.315 12.988 1.00 0.00 H new ATOM 90 N SER A 11 -5.647 3.906 7.050 1.00 0.00 N ATOM 91 CA SER A 11 -6.207 5.032 6.318 1.00 0.00 C ATOM 92 C SER A 11 -6.234 6.294 7.176 1.00 0.00 C ATOM 93 O SER A 11 -6.171 6.230 8.405 1.00 0.00 O ATOM 94 CB SER A 11 -7.625 4.694 5.861 1.00 0.00 C ATOM 95 OG SER A 11 -7.621 3.568 5.001 1.00 0.00 O ATOM 0 H SER A 11 -6.006 3.796 7.998 1.00 0.00 H new ATOM 0 HA SER A 11 -5.573 5.222 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.253 4.492 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.059 5.550 5.345 1.00 0.00 H new ATOM 0 HG SER A 11 -8.078 2.820 5.439 1.00 0.00 H new ATOM 101 N ARG A 12 -6.322 7.446 6.514 1.00 0.00 N ATOM 102 CA ARG A 12 -6.350 8.730 7.212 1.00 0.00 C ATOM 103 C ARG A 12 -7.763 9.070 7.675 1.00 0.00 C ATOM 104 O ARG A 12 -7.956 9.888 8.566 1.00 0.00 O ATOM 105 CB ARG A 12 -5.830 9.855 6.307 1.00 0.00 C ATOM 106 CG ARG A 12 -4.746 10.708 6.956 1.00 0.00 C ATOM 107 CD ARG A 12 -5.202 11.298 8.285 1.00 0.00 C ATOM 108 NE ARG A 12 -6.169 12.381 8.116 1.00 0.00 N ATOM 109 CZ ARG A 12 -7.048 12.752 9.046 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.113 12.111 10.208 1.00 0.00 N ATOM 111 NH2 ARG A 12 -7.867 13.765 8.811 1.00 0.00 N ATOM 0 H ARG A 12 -6.375 7.517 5.498 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.701 8.641 8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.436 9.419 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.664 10.497 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.855 10.101 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.466 11.515 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.646 10.511 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.335 11.672 8.829 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.171 12.885 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.487 11.328 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.789 12.402 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.824 14.259 7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.541 14.051 9.521 1.00 0.00 H new ATOM 125 N HIS A 13 -8.745 8.416 7.089 1.00 0.00 N ATOM 126 CA HIS A 13 -10.135 8.783 7.304 1.00 0.00 C ATOM 127 C HIS A 13 -10.947 7.556 7.696 1.00 0.00 C ATOM 128 O HIS A 13 -10.530 6.428 7.435 1.00 0.00 O ATOM 129 CB HIS A 13 -10.721 9.389 6.028 1.00 0.00 C ATOM 130 CG HIS A 13 -9.945 10.552 5.481 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.270 10.460 4.288 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.783 11.800 5.986 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.716 11.643 4.094 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.999 12.489 5.095 1.00 0.00 N ATOM 0 H HIS A 13 -8.609 7.626 6.459 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.179 9.517 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.777 8.613 5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.742 9.712 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.192 12.179 6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.111 11.897 3.236 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.691 13.458 5.178 1.00 0.00 H new ATOM 142 N PRO A 14 -12.105 7.763 8.346 1.00 0.00 N ATOM 143 CA PRO A 14 -13.038 6.678 8.670 1.00 0.00 C ATOM 144 C PRO A 14 -13.679 6.112 7.403 1.00 0.00 C ATOM 145 O PRO A 14 -14.054 6.865 6.500 1.00 0.00 O ATOM 146 CB PRO A 14 -14.104 7.351 9.553 1.00 0.00 C ATOM 147 CG PRO A 14 -13.509 8.668 9.953 1.00 0.00 C ATOM 148 CD PRO A 14 -12.604 9.065 8.821 1.00 0.00 C ATOM 0 HA PRO A 14 -12.544 5.841 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.037 7.490 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.334 6.741 10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.286 9.416 10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.953 8.579 10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.141 9.604 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.794 9.713 9.156 1.00 0.00 H new ATOM 156 N ALA A 15 -13.784 4.791 7.335 1.00 0.00 N ATOM 157 CA ALA A 15 -14.368 4.111 6.178 1.00 0.00 C ATOM 158 C ALA A 15 -15.840 4.489 5.990 1.00 0.00 C ATOM 159 O ALA A 15 -16.696 3.993 6.724 1.00 0.00 O ATOM 160 CB ALA A 15 -14.252 2.599 6.354 1.00 0.00 C ATOM 0 H ALA A 15 -13.470 4.161 8.073 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.818 4.427 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.688 2.098 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.201 2.322 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.784 2.296 7.256 1.00 0.00 H new ATOM 166 N GLU A 16 -16.142 5.368 5.032 1.00 0.00 N ATOM 167 CA GLU A 16 -17.538 5.715 4.752 1.00 0.00 C ATOM 168 C GLU A 16 -17.861 5.366 3.296 1.00 0.00 C ATOM 169 O GLU A 16 -17.512 6.120 2.386 1.00 0.00 O ATOM 170 CB GLU A 16 -17.782 7.216 5.038 1.00 0.00 C ATOM 171 CG GLU A 16 -19.225 7.620 5.341 1.00 0.00 C ATOM 172 CD GLU A 16 -20.148 7.528 4.143 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.145 8.477 3.324 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.894 6.534 4.022 1.00 0.00 O ATOM 0 H GLU A 16 -15.455 5.844 4.447 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.199 5.143 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.160 7.509 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.440 7.789 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.612 6.983 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.235 8.643 5.718 1.00 0.00 H new ATOM 181 N ASN A 17 -18.456 4.183 3.090 1.00 0.00 N ATOM 182 CA ASN A 17 -18.915 3.727 1.773 1.00 0.00 C ATOM 183 C ASN A 17 -19.406 4.877 0.878 1.00 0.00 C ATOM 184 O ASN A 17 -20.429 5.504 1.147 1.00 0.00 O ATOM 185 CB ASN A 17 -20.020 2.660 1.962 1.00 0.00 C ATOM 186 CG ASN A 17 -20.750 2.313 0.671 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.319 1.447 -0.088 1.00 0.00 O ATOM 188 ND2 ASN A 17 -21.879 2.963 0.430 1.00 0.00 N ATOM 0 H ASN A 17 -18.633 3.512 3.838 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.062 3.290 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.574 1.755 2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.743 3.021 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.421 2.751 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.206 3.676 1.082 1.00 0.00 H new ATOM 195 N GLY A 18 -18.645 5.147 -0.184 1.00 0.00 N ATOM 196 CA GLY A 18 -18.999 6.205 -1.127 1.00 0.00 C ATOM 197 C GLY A 18 -18.028 7.377 -1.113 1.00 0.00 C ATOM 198 O GLY A 18 -18.074 8.225 -2.002 1.00 0.00 O ATOM 0 H GLY A 18 -17.784 4.649 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.038 5.787 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.000 6.569 -0.894 1.00 0.00 H new ATOM 202 N LYS A 19 -17.160 7.448 -0.110 1.00 0.00 N ATOM 203 CA LYS A 19 -16.177 8.537 -0.043 1.00 0.00 C ATOM 204 C LYS A 19 -14.929 8.167 -0.817 1.00 0.00 C ATOM 205 O LYS A 19 -14.565 6.994 -0.888 1.00 0.00 O ATOM 206 CB LYS A 19 -15.725 8.832 1.393 1.00 0.00 C ATOM 207 CG LYS A 19 -16.815 9.109 2.420 1.00 0.00 C ATOM 208 CD LYS A 19 -17.474 10.476 2.299 1.00 0.00 C ATOM 209 CE LYS A 19 -18.300 10.632 1.039 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.430 9.671 0.994 1.00 0.00 N ATOM 0 H LYS A 19 -17.112 6.779 0.659 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.673 9.413 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.137 7.984 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.057 9.693 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.584 8.341 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.387 9.015 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.112 10.642 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.703 11.246 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.687 11.650 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.663 10.484 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.336 9.064 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.419 9.082 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.328 10.193 0.945 1.00 0.00 H new ATOM 224 N SER A 20 -14.280 9.160 -1.399 1.00 0.00 N ATOM 225 CA SER A 20 -12.927 8.979 -1.867 1.00 0.00 C ATOM 226 C SER A 20 -11.945 9.556 -0.857 1.00 0.00 C ATOM 227 O SER A 20 -12.128 10.658 -0.339 1.00 0.00 O ATOM 228 CB SER A 20 -12.724 9.568 -3.264 1.00 0.00 C ATOM 229 OG SER A 20 -13.584 10.672 -3.499 1.00 0.00 O ATOM 0 H SER A 20 -14.668 10.090 -1.556 1.00 0.00 H new ATOM 0 HA SER A 20 -12.735 7.910 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.687 9.884 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.907 8.798 -4.014 1.00 0.00 H new ATOM 0 HG SER A 20 -13.426 11.024 -4.400 1.00 0.00 H new ATOM 235 N ASN A 21 -10.908 8.786 -0.593 1.00 0.00 N ATOM 236 CA ASN A 21 -9.935 9.081 0.452 1.00 0.00 C ATOM 237 C ASN A 21 -8.607 8.502 -0.017 1.00 0.00 C ATOM 238 O ASN A 21 -8.409 8.344 -1.223 1.00 0.00 O ATOM 239 CB ASN A 21 -10.337 8.441 1.789 1.00 0.00 C ATOM 240 CG ASN A 21 -11.787 8.674 2.202 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.699 8.019 1.702 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.007 9.555 3.161 1.00 0.00 N ATOM 0 H ASN A 21 -10.711 7.925 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.874 10.157 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.160 7.367 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.685 8.829 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.955 9.707 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.229 10.084 3.556 1.00 0.00 H new ATOM 249 N PHE A 22 -7.717 8.137 0.901 1.00 0.00 N ATOM 250 CA PHE A 22 -6.393 7.665 0.511 1.00 0.00 C ATOM 251 C PHE A 22 -5.990 6.413 1.279 1.00 0.00 C ATOM 252 O PHE A 22 -6.140 6.356 2.503 1.00 0.00 O ATOM 253 CB PHE A 22 -5.363 8.774 0.731 1.00 0.00 C ATOM 254 CG PHE A 22 -5.480 9.874 -0.278 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.516 11.206 0.104 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.558 9.560 -1.620 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.627 12.205 -0.844 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.671 10.551 -2.574 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.703 11.877 -2.187 1.00 0.00 C ATOM 0 H PHE A 22 -7.885 8.158 1.907 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.428 7.403 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.488 9.188 1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.360 8.349 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.457 11.465 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.530 8.525 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.654 13.240 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.734 10.291 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.787 12.656 -2.930 1.00 0.00 H new ATOM 269 N LEU A 23 -5.478 5.412 0.557 1.00 0.00 N ATOM 270 CA LEU A 23 -5.012 4.172 1.182 1.00 0.00 C ATOM 271 C LEU A 23 -3.523 4.273 1.463 1.00 0.00 C ATOM 272 O LEU A 23 -2.720 4.477 0.553 1.00 0.00 O ATOM 273 CB LEU A 23 -5.310 2.950 0.291 1.00 0.00 C ATOM 274 CG LEU A 23 -4.639 1.615 0.703 1.00 0.00 C ATOM 275 CD1 LEU A 23 -4.983 1.217 2.135 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.056 0.503 -0.248 1.00 0.00 C ATOM 0 H LEU A 23 -5.376 5.436 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.549 4.034 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.389 2.798 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.002 3.187 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.561 1.766 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.491 0.276 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.642 1.993 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.062 1.097 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.578 -0.430 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.139 0.383 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.750 0.758 -1.263 1.00 0.00 H new ATOM 288 N ASN A 24 -3.165 4.133 2.723 1.00 0.00 N ATOM 289 CA ASN A 24 -1.787 4.307 3.148 1.00 0.00 C ATOM 290 C ASN A 24 -1.160 2.972 3.532 1.00 0.00 C ATOM 291 O ASN A 24 -1.631 2.283 4.440 1.00 0.00 O ATOM 292 CB ASN A 24 -1.705 5.302 4.317 1.00 0.00 C ATOM 293 CG ASN A 24 -2.007 6.731 3.893 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.772 7.117 2.749 1.00 0.00 O ATOM 295 ND2 ASN A 24 -2.510 7.536 4.819 1.00 0.00 N ATOM 0 H ASN A 24 -3.812 3.898 3.476 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.223 4.713 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.408 5.002 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.708 5.260 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.714 8.509 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.692 7.182 5.758 1.00 0.00 H new ATOM 302 N CYS A 25 -0.102 2.606 2.827 1.00 0.00 N ATOM 303 CA CYS A 25 0.621 1.365 3.078 1.00 0.00 C ATOM 304 C CYS A 25 2.025 1.678 3.597 1.00 0.00 C ATOM 305 O CYS A 25 2.806 2.337 2.908 1.00 0.00 O ATOM 306 CB CYS A 25 0.716 0.556 1.772 1.00 0.00 C ATOM 307 SG CYS A 25 1.949 -0.783 1.808 1.00 0.00 S ATOM 0 H CYS A 25 0.282 3.161 2.062 1.00 0.00 H new ATOM 0 HA CYS A 25 0.088 0.781 3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.262 0.128 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.958 1.235 0.954 1.00 0.00 H new ATOM 312 N TYR A 26 2.343 1.231 4.811 1.00 0.00 N ATOM 313 CA TYR A 26 3.673 1.459 5.368 1.00 0.00 C ATOM 314 C TYR A 26 4.594 0.293 5.052 1.00 0.00 C ATOM 315 O TYR A 26 4.271 -0.857 5.342 1.00 0.00 O ATOM 316 CB TYR A 26 3.641 1.632 6.890 1.00 0.00 C ATOM 317 CG TYR A 26 2.706 2.706 7.400 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.105 4.034 7.469 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.432 2.381 7.840 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.256 5.007 7.962 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.576 3.347 8.328 1.00 0.00 C ATOM 322 CZ TYR A 26 0.992 4.658 8.388 1.00 0.00 C ATOM 323 OH TYR A 26 0.144 5.619 8.888 1.00 0.00 O ATOM 0 H TYR A 26 1.707 0.716 5.420 1.00 0.00 H new ATOM 0 HA TYR A 26 4.042 2.377 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.356 0.681 7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.650 1.859 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.093 4.311 7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.104 1.353 7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.581 6.036 8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.415 3.076 8.661 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.707 5.204 9.141 1.00 0.00 H new ATOM 333 N VAL A 27 5.746 0.596 4.484 1.00 0.00 N ATOM 334 CA VAL A 27 6.756 -0.412 4.201 1.00 0.00 C ATOM 335 C VAL A 27 8.092 0.056 4.797 1.00 0.00 C ATOM 336 O VAL A 27 8.702 0.989 4.284 1.00 0.00 O ATOM 337 CB VAL A 27 6.918 -0.614 2.671 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.950 -1.688 2.363 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.585 -0.967 2.029 1.00 0.00 C ATOM 0 H VAL A 27 6.009 1.541 4.206 1.00 0.00 H new ATOM 0 HA VAL A 27 6.450 -1.361 4.642 1.00 0.00 H new ATOM 0 HB VAL A 27 7.270 0.328 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.041 -1.806 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.914 -1.396 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.635 -2.633 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.723 -1.104 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.203 -1.889 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.872 -0.161 2.203 1.00 0.00 H new ATOM 349 N SER A 28 8.546 -0.560 5.883 1.00 0.00 N ATOM 350 CA SER A 28 9.728 -0.050 6.581 1.00 0.00 C ATOM 351 C SER A 28 10.825 -1.114 6.722 1.00 0.00 C ATOM 352 O SER A 28 10.548 -2.280 7.001 1.00 0.00 O ATOM 353 CB SER A 28 9.330 0.486 7.962 1.00 0.00 C ATOM 354 OG SER A 28 10.395 1.209 8.567 1.00 0.00 O ATOM 0 H SER A 28 8.128 -1.394 6.294 1.00 0.00 H new ATOM 0 HA SER A 28 10.140 0.759 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.458 1.133 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.040 -0.344 8.606 1.00 0.00 H new ATOM 0 HG SER A 28 10.313 2.160 8.344 1.00 0.00 H new ATOM 360 N GLY A 29 12.073 -0.686 6.515 1.00 0.00 N ATOM 361 CA GLY A 29 13.221 -1.572 6.658 1.00 0.00 C ATOM 362 C GLY A 29 13.777 -1.995 5.315 1.00 0.00 C ATOM 363 O GLY A 29 14.740 -2.755 5.237 1.00 0.00 O ATOM 0 H GLY A 29 12.310 0.270 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.999 -1.068 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.929 -2.456 7.225 1.00 0.00 H new ATOM 367 N PHE A 30 13.151 -1.506 4.259 1.00 0.00 N ATOM 368 CA PHE A 30 13.535 -1.858 2.901 1.00 0.00 C ATOM 369 C PHE A 30 14.054 -0.640 2.149 1.00 0.00 C ATOM 370 O PHE A 30 13.460 0.437 2.218 1.00 0.00 O ATOM 371 CB PHE A 30 12.332 -2.440 2.171 1.00 0.00 C ATOM 372 CG PHE A 30 11.709 -3.621 2.890 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.061 -4.923 2.550 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.781 -3.431 3.911 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.496 -6.007 3.208 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.217 -4.512 4.572 1.00 0.00 C ATOM 377 CZ PHE A 30 10.575 -5.797 4.217 1.00 0.00 C ATOM 0 H PHE A 30 12.366 -0.857 4.316 1.00 0.00 H new ATOM 0 HA PHE A 30 14.334 -2.598 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.580 -1.661 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.637 -2.751 1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.783 -5.093 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.497 -2.428 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.776 -7.013 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.499 -4.349 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.135 -6.640 4.729 1.00 0.00 H new ATOM 387 N HIS A 31 15.147 -0.820 1.417 1.00 0.00 N ATOM 388 CA HIS A 31 15.779 0.280 0.691 1.00 0.00 C ATOM 389 C HIS A 31 14.914 0.676 -0.503 1.00 0.00 C ATOM 390 O HIS A 31 14.709 -0.128 -1.407 1.00 0.00 O ATOM 391 CB HIS A 31 17.176 -0.115 0.199 1.00 0.00 C ATOM 392 CG HIS A 31 17.994 -0.857 1.209 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.553 -2.076 0.913 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.314 -0.521 2.478 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.195 -2.454 2.003 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.079 -1.543 2.977 1.00 0.00 N ATOM 0 H HIS A 31 15.617 -1.719 1.309 1.00 0.00 H new ATOM 0 HA HIS A 31 15.878 1.125 1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.074 -0.732 -0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.713 0.786 -0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.023 0.379 2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.743 -3.380 2.097 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.483 -1.599 3.912 1.00 0.00 H new ATOM 404 N PRO A 32 14.422 1.929 -0.518 1.00 0.00 N ATOM 405 CA PRO A 32 13.422 2.425 -1.501 1.00 0.00 C ATOM 406 C PRO A 32 13.801 2.279 -2.984 1.00 0.00 C ATOM 407 O PRO A 32 13.031 2.672 -3.854 1.00 0.00 O ATOM 408 CB PRO A 32 13.301 3.916 -1.146 1.00 0.00 C ATOM 409 CG PRO A 32 13.691 3.998 0.290 1.00 0.00 C ATOM 410 CD PRO A 32 14.782 2.973 0.463 1.00 0.00 C ATOM 0 HA PRO A 32 12.508 1.836 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.956 4.525 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.285 4.278 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.045 4.997 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.843 3.784 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.766 3.394 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.807 2.579 1.479 1.00 0.00 H new ATOM 418 N SER A 33 14.965 1.733 -3.282 1.00 0.00 N ATOM 419 CA SER A 33 15.382 1.555 -4.665 1.00 0.00 C ATOM 420 C SER A 33 15.107 0.136 -5.164 1.00 0.00 C ATOM 421 O SER A 33 14.622 -0.061 -6.280 1.00 0.00 O ATOM 422 CB SER A 33 16.870 1.873 -4.790 1.00 0.00 C ATOM 423 OG SER A 33 17.578 1.347 -3.682 1.00 0.00 O ATOM 0 H SER A 33 15.638 1.405 -2.589 1.00 0.00 H new ATOM 0 HA SER A 33 14.801 2.238 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.263 1.451 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.015 2.952 -4.845 1.00 0.00 H new ATOM 0 HG SER A 33 17.572 0.368 -3.725 1.00 0.00 H new ATOM 429 N ASP A 34 15.394 -0.849 -4.325 1.00 0.00 N ATOM 430 CA ASP A 34 15.411 -2.239 -4.777 1.00 0.00 C ATOM 431 C ASP A 34 14.173 -3.003 -4.323 1.00 0.00 C ATOM 432 O ASP A 34 14.211 -4.230 -4.207 1.00 0.00 O ATOM 433 CB ASP A 34 16.660 -2.966 -4.257 1.00 0.00 C ATOM 434 CG ASP A 34 17.903 -2.101 -4.251 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.195 -1.491 -3.197 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.600 -2.034 -5.283 1.00 0.00 O ATOM 0 H ASP A 34 15.616 -0.718 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 34 15.423 -2.212 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.469 -3.321 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.842 -3.846 -4.874 1.00 0.00 H new ATOM 441 N ILE A 35 13.071 -2.305 -4.071 1.00 0.00 N ATOM 442 CA ILE A 35 11.860 -2.984 -3.623 1.00 0.00 C ATOM 443 C ILE A 35 10.698 -2.702 -4.566 1.00 0.00 C ATOM 444 O ILE A 35 10.773 -1.816 -5.414 1.00 0.00 O ATOM 445 CB ILE A 35 11.449 -2.589 -2.174 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.474 -1.395 -2.164 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.674 -2.277 -1.319 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.983 -1.031 -0.778 1.00 0.00 C ATOM 0 H ILE A 35 12.990 -1.293 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 35 12.092 -4.049 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 35 10.935 -3.448 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.967 -0.529 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.617 -1.630 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.356 -2.004 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.317 -3.156 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.225 -1.448 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.301 -0.183 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.462 -1.883 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.833 -0.765 -0.149 1.00 0.00 H new ATOM 460 N GLU A 36 9.629 -3.464 -4.406 1.00 0.00 N ATOM 461 CA GLU A 36 8.431 -3.301 -5.215 1.00 0.00 C ATOM 462 C GLU A 36 7.182 -3.349 -4.335 1.00 0.00 C ATOM 463 O GLU A 36 6.876 -4.387 -3.746 1.00 0.00 O ATOM 464 CB GLU A 36 8.363 -4.394 -6.280 1.00 0.00 C ATOM 465 CG GLU A 36 9.307 -4.171 -7.459 1.00 0.00 C ATOM 466 CD GLU A 36 9.475 -5.418 -8.295 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.453 -5.991 -8.732 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.629 -5.841 -8.511 1.00 0.00 O ATOM 0 H GLU A 36 9.566 -4.211 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 36 8.474 -2.329 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.596 -5.353 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.341 -4.460 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.922 -3.365 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.280 -3.850 -7.088 1.00 0.00 H new ATOM 475 N VAL A 37 6.492 -2.222 -4.233 1.00 0.00 N ATOM 476 CA VAL A 37 5.268 -2.123 -3.434 1.00 0.00 C ATOM 477 C VAL A 37 4.144 -1.487 -4.258 1.00 0.00 C ATOM 478 O VAL A 37 4.353 -0.469 -4.921 1.00 0.00 O ATOM 479 CB VAL A 37 5.503 -1.331 -2.109 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.767 -0.492 -2.199 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.305 -0.455 -1.757 1.00 0.00 C ATOM 0 H VAL A 37 6.758 -1.353 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 37 4.970 -3.134 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 37 5.626 -2.062 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.911 0.051 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.624 -1.142 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.675 0.218 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.506 0.080 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.130 0.262 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.421 -1.081 -1.631 1.00 0.00 H new ATOM 491 N ASP A 38 2.957 -2.095 -4.215 1.00 0.00 N ATOM 492 CA ASP A 38 1.813 -1.610 -4.986 1.00 0.00 C ATOM 493 C ASP A 38 0.548 -1.653 -4.125 1.00 0.00 C ATOM 494 O ASP A 38 0.510 -2.327 -3.095 1.00 0.00 O ATOM 495 CB ASP A 38 1.592 -2.467 -6.257 1.00 0.00 C ATOM 496 CG ASP A 38 2.728 -2.365 -7.257 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.695 -1.456 -8.109 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.643 -3.216 -7.211 1.00 0.00 O ATOM 0 H ASP A 38 2.764 -2.925 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 38 2.023 -0.584 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.467 -3.510 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.665 -2.157 -6.739 1.00 0.00 H new ATOM 503 N LEU A 39 -0.488 -0.949 -4.570 1.00 0.00 N ATOM 504 CA LEU A 39 -1.771 -0.954 -3.875 1.00 0.00 C ATOM 505 C LEU A 39 -2.779 -1.773 -4.683 1.00 0.00 C ATOM 506 O LEU A 39 -2.953 -1.550 -5.883 1.00 0.00 O ATOM 507 CB LEU A 39 -2.276 0.478 -3.625 1.00 0.00 C ATOM 508 CG LEU A 39 -1.814 1.123 -2.300 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.312 1.354 -2.281 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.538 2.433 -2.054 1.00 0.00 C ATOM 0 H LEU A 39 -0.465 -0.368 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.646 -1.417 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.948 1.110 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.366 0.469 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.062 0.424 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.026 1.809 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.204 0.401 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.036 2.018 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.195 2.867 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.329 3.123 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.611 2.251 -1.999 1.00 0.00 H new ATOM 522 N LEU A 40 -3.419 -2.739 -4.024 1.00 0.00 N ATOM 523 CA LEU A 40 -4.242 -3.736 -4.707 1.00 0.00 C ATOM 524 C LEU A 40 -5.687 -3.766 -4.204 1.00 0.00 C ATOM 525 O LEU A 40 -6.031 -3.148 -3.198 1.00 0.00 O ATOM 526 CB LEU A 40 -3.682 -5.142 -4.496 1.00 0.00 C ATOM 527 CG LEU A 40 -2.221 -5.397 -4.862 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.031 -6.895 -5.027 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.802 -4.675 -6.138 1.00 0.00 C ATOM 0 H LEU A 40 -3.382 -2.852 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.225 -3.446 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.812 -5.398 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.296 -5.835 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.591 -5.006 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.994 -7.104 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.277 -7.398 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.686 -7.260 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.755 -4.891 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.419 -5.016 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.931 -3.601 -6.007 1.00 0.00 H new ATOM 541 N LYS A 41 -6.511 -4.518 -4.940 1.00 0.00 N ATOM 542 CA LYS A 41 -7.857 -4.895 -4.528 1.00 0.00 C ATOM 543 C LYS A 41 -7.973 -6.397 -4.590 1.00 0.00 C ATOM 544 O LYS A 41 -8.038 -6.943 -5.690 1.00 0.00 O ATOM 545 CB LYS A 41 -8.926 -4.359 -5.489 1.00 0.00 C ATOM 546 CG LYS A 41 -8.560 -3.044 -6.158 1.00 0.00 C ATOM 547 CD LYS A 41 -9.596 -2.583 -7.215 1.00 0.00 C ATOM 548 CE LYS A 41 -11.011 -2.346 -6.645 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.015 -1.300 -5.594 1.00 0.00 N ATOM 0 H LYS A 41 -6.252 -4.886 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.015 -4.487 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.113 -5.106 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.859 -4.227 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.462 -2.272 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.585 -3.146 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.243 -1.661 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.654 -3.333 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.683 -2.053 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.397 -3.278 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.945 -0.835 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.822 -1.736 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.281 -0.594 -5.804 1.00 0.00 H new ATOM 563 N ASN A 42 -8.044 -7.067 -3.449 1.00 0.00 N ATOM 564 CA ASN A 42 -8.174 -8.524 -3.431 1.00 0.00 C ATOM 565 C ASN A 42 -7.166 -9.160 -4.393 1.00 0.00 C ATOM 566 O ASN A 42 -7.490 -10.090 -5.132 1.00 0.00 O ATOM 567 CB ASN A 42 -9.615 -8.925 -3.835 1.00 0.00 C ATOM 568 CG ASN A 42 -10.700 -7.997 -3.322 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.383 -8.294 -2.348 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.869 -6.868 -4.011 1.00 0.00 N ATOM 0 H ASN A 42 -8.014 -6.632 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.969 -8.884 -2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.675 -8.965 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.814 -9.932 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.593 -6.205 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.274 -6.667 -4.815 1.00 0.00 H new ATOM 577 N GLY A 43 -5.945 -8.636 -4.384 1.00 0.00 N ATOM 578 CA GLY A 43 -4.918 -9.136 -5.281 1.00 0.00 C ATOM 579 C GLY A 43 -4.997 -8.592 -6.706 1.00 0.00 C ATOM 580 O GLY A 43 -4.542 -9.251 -7.641 1.00 0.00 O ATOM 0 H GLY A 43 -5.648 -7.875 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.941 -8.890 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.984 -10.223 -5.317 1.00 0.00 H new ATOM 584 N GLU A 44 -5.572 -7.408 -6.894 1.00 0.00 N ATOM 585 CA GLU A 44 -5.695 -6.826 -8.231 1.00 0.00 C ATOM 586 C GLU A 44 -5.170 -5.388 -8.231 1.00 0.00 C ATOM 587 O GLU A 44 -5.655 -4.551 -7.471 1.00 0.00 O ATOM 588 CB GLU A 44 -7.158 -6.877 -8.693 1.00 0.00 C ATOM 589 CG GLU A 44 -7.358 -6.473 -10.150 1.00 0.00 C ATOM 590 CD GLU A 44 -6.427 -7.217 -11.082 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.609 -8.440 -11.262 1.00 0.00 O ATOM 592 OE2 GLU A 44 -5.500 -6.581 -11.625 1.00 0.00 O ATOM 0 H GLU A 44 -5.958 -6.834 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.094 -7.407 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.539 -7.888 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.753 -6.220 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.391 -6.666 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.193 -5.401 -10.254 1.00 0.00 H new ATOM 599 N ARG A 45 -4.153 -5.128 -9.056 1.00 0.00 N ATOM 600 CA ARG A 45 -3.522 -3.806 -9.150 1.00 0.00 C ATOM 601 C ARG A 45 -4.565 -2.709 -9.405 1.00 0.00 C ATOM 602 O ARG A 45 -5.313 -2.763 -10.380 1.00 0.00 O ATOM 603 CB ARG A 45 -2.470 -3.811 -10.281 1.00 0.00 C ATOM 604 CG ARG A 45 -1.314 -2.841 -10.059 1.00 0.00 C ATOM 605 CD ARG A 45 -0.242 -2.946 -11.154 1.00 0.00 C ATOM 606 NE ARG A 45 0.522 -4.187 -11.063 1.00 0.00 N ATOM 607 CZ ARG A 45 1.841 -4.246 -11.235 1.00 0.00 C ATOM 608 NH1 ARG A 45 2.532 -3.134 -11.460 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.470 -5.413 -11.181 1.00 0.00 N ATOM 0 H ARG A 45 -3.743 -5.825 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.034 -3.590 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.069 -4.819 -10.386 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.962 -3.564 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.699 -1.822 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.859 -3.039 -9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.718 -2.886 -12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.437 -2.097 -11.077 1.00 0.00 H new ATOM 0 HE ARG A 45 0.021 -5.051 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.052 -2.235 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.542 -3.179 -11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.943 -6.269 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.481 -5.454 -11.313 1.00 0.00 H new ATOM 623 N ILE A 46 -4.606 -1.727 -8.497 1.00 0.00 N ATOM 624 CA ILE A 46 -5.555 -0.616 -8.577 1.00 0.00 C ATOM 625 C ILE A 46 -5.291 0.266 -9.792 1.00 0.00 C ATOM 626 O ILE A 46 -6.098 0.257 -10.712 1.00 0.00 O ATOM 627 CB ILE A 46 -5.533 0.217 -7.271 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.916 -0.695 -6.104 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.480 1.416 -7.349 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.862 -0.048 -4.743 1.00 0.00 C ATOM 0 H ILE A 46 -3.984 -1.682 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.551 -1.042 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.529 0.615 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.926 -1.069 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.252 -1.559 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.437 1.975 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.181 2.063 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.499 1.065 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.150 -0.774 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.848 0.301 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.549 0.798 -4.715 1.00 0.00 H new ATOM 642 N GLU A 47 -4.236 1.098 -9.706 1.00 0.00 N ATOM 643 CA GLU A 47 -3.593 1.798 -10.856 1.00 0.00 C ATOM 644 C GLU A 47 -3.292 3.253 -10.509 1.00 0.00 C ATOM 645 O GLU A 47 -2.249 3.774 -10.900 1.00 0.00 O ATOM 646 CB GLU A 47 -4.399 1.799 -12.172 1.00 0.00 C ATOM 647 CG GLU A 47 -4.410 0.472 -12.923 1.00 0.00 C ATOM 648 CD GLU A 47 -4.664 0.638 -14.404 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.688 0.646 -15.182 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.845 0.756 -14.802 1.00 0.00 O ATOM 0 H GLU A 47 -3.789 1.314 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.687 1.217 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.428 2.082 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.992 2.568 -12.829 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.454 -0.030 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.178 -0.174 -12.498 1.00 0.00 H new ATOM 657 N LYS A 48 -4.184 3.921 -9.766 1.00 0.00 N ATOM 658 CA LYS A 48 -4.045 5.356 -9.529 1.00 0.00 C ATOM 659 C LYS A 48 -3.077 5.611 -8.382 1.00 0.00 C ATOM 660 O LYS A 48 -3.393 6.370 -7.462 1.00 0.00 O ATOM 661 CB LYS A 48 -5.399 5.994 -9.160 1.00 0.00 C ATOM 662 CG LYS A 48 -6.602 5.581 -10.022 1.00 0.00 C ATOM 663 CD LYS A 48 -6.328 5.723 -11.512 1.00 0.00 C ATOM 664 CE LYS A 48 -6.108 7.178 -11.914 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.311 8.017 -11.664 1.00 0.00 N ATOM 0 H LYS A 48 -4.999 3.494 -9.325 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.670 5.801 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.621 5.749 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.294 7.077 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.865 4.546 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.464 6.193 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.448 5.136 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.166 5.313 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.262 7.583 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.847 7.226 -12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.202 8.932 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.155 7.531 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.418 8.175 -10.642 1.00 0.00 H new ATOM 679 N VAL A 49 -1.906 5.003 -8.425 1.00 0.00 N ATOM 680 CA VAL A 49 -0.980 5.130 -7.326 1.00 0.00 C ATOM 681 C VAL A 49 0.246 5.889 -7.808 1.00 0.00 C ATOM 682 O VAL A 49 0.787 5.629 -8.886 1.00 0.00 O ATOM 683 CB VAL A 49 -0.603 3.764 -6.688 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.701 3.207 -7.222 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.533 3.891 -5.177 1.00 0.00 C ATOM 0 H VAL A 49 -1.581 4.425 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.467 5.689 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.389 3.060 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.913 2.252 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.620 3.060 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.509 3.907 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.268 2.927 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.222 4.630 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.503 4.208 -4.793 1.00 0.00 H new ATOM 695 N GLU A 50 0.628 6.868 -7.034 1.00 0.00 N ATOM 696 CA GLU A 50 1.679 7.780 -7.414 1.00 0.00 C ATOM 697 C GLU A 50 2.879 7.536 -6.487 1.00 0.00 C ATOM 698 O GLU A 50 2.700 7.235 -5.303 1.00 0.00 O ATOM 699 CB GLU A 50 1.131 9.242 -7.355 1.00 0.00 C ATOM 700 CG GLU A 50 -0.082 9.526 -8.280 1.00 0.00 C ATOM 701 CD GLU A 50 -0.639 10.916 -8.058 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.095 11.877 -8.645 1.00 0.00 O ATOM 703 OE2 GLU A 50 -1.614 11.062 -7.293 1.00 0.00 O ATOM 0 H GLU A 50 0.220 7.059 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 50 2.016 7.616 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.845 9.465 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.937 9.927 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.221 9.417 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.862 8.787 -8.095 1.00 0.00 H new ATOM 710 N HIS A 51 4.091 7.634 -7.036 1.00 0.00 N ATOM 711 CA HIS A 51 5.309 7.285 -6.302 1.00 0.00 C ATOM 712 C HIS A 51 5.726 8.459 -5.399 1.00 0.00 C ATOM 713 O HIS A 51 5.233 9.577 -5.560 1.00 0.00 O ATOM 714 CB HIS A 51 6.411 6.913 -7.308 1.00 0.00 C ATOM 715 CG HIS A 51 7.620 6.233 -6.720 1.00 0.00 C ATOM 716 ND1 HIS A 51 8.752 6.025 -7.468 1.00 0.00 N ATOM 717 CD2 HIS A 51 7.813 5.717 -5.482 1.00 0.00 C ATOM 718 CE1 HIS A 51 9.600 5.393 -6.674 1.00 0.00 C ATOM 719 NE2 HIS A 51 9.077 5.185 -5.457 1.00 0.00 N ATOM 0 H HIS A 51 4.256 7.954 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 51 5.132 6.424 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.981 6.260 -8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.737 7.821 -7.816 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.907 6.301 -8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.104 5.723 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.591 5.083 -6.969 1.00 0.00 H new ATOM 727 N SER A 52 6.640 8.210 -4.463 1.00 0.00 N ATOM 728 CA SER A 52 6.905 9.142 -3.388 1.00 0.00 C ATOM 729 C SER A 52 8.400 9.346 -3.197 1.00 0.00 C ATOM 730 O SER A 52 9.202 8.882 -4.013 1.00 0.00 O ATOM 731 CB SER A 52 6.262 8.626 -2.102 1.00 0.00 C ATOM 732 OG SER A 52 6.528 7.243 -1.930 1.00 0.00 O ATOM 0 H SER A 52 7.208 7.363 -4.435 1.00 0.00 H new ATOM 0 HA SER A 52 6.473 10.109 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.645 9.184 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.185 8.793 -2.135 1.00 0.00 H new ATOM 0 HG SER A 52 5.847 6.849 -1.345 1.00 0.00 H new ATOM 738 N ASP A 53 8.751 10.085 -2.146 1.00 0.00 N ATOM 739 CA ASP A 53 10.141 10.329 -1.772 1.00 0.00 C ATOM 740 C ASP A 53 10.988 9.064 -1.858 1.00 0.00 C ATOM 741 O ASP A 53 10.529 7.978 -1.502 1.00 0.00 O ATOM 742 CB ASP A 53 10.200 10.861 -0.340 1.00 0.00 C ATOM 743 CG ASP A 53 10.243 12.374 -0.269 1.00 0.00 C ATOM 744 OD1 ASP A 53 9.179 13.015 -0.413 1.00 0.00 O ATOM 745 OD2 ASP A 53 11.339 12.929 -0.055 1.00 0.00 O ATOM 0 H ASP A 53 8.075 10.533 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 53 10.544 11.059 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.331 10.502 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.081 10.455 0.156 1.00 0.00 H new ATOM 750 N LEU A 54 12.236 9.232 -2.305 1.00 0.00 N ATOM 751 CA LEU A 54 13.178 8.126 -2.466 1.00 0.00 C ATOM 752 C LEU A 54 12.683 7.116 -3.501 1.00 0.00 C ATOM 753 O LEU A 54 11.869 6.244 -3.211 1.00 0.00 O ATOM 754 CB LEU A 54 13.454 7.427 -1.125 1.00 0.00 C ATOM 755 CG LEU A 54 14.051 8.327 -0.013 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.978 8.805 0.964 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.173 7.625 0.757 1.00 0.00 C ATOM 0 H LEU A 54 12.620 10.141 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 54 14.114 8.552 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.521 6.999 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.138 6.597 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 54 14.474 9.194 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.436 9.433 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.225 9.380 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.507 7.943 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.561 8.294 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.783 6.721 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.976 7.359 0.069 1.00 0.00 H new ATOM 769 N SER A 55 13.211 7.231 -4.707 1.00 0.00 N ATOM 770 CA SER A 55 12.847 6.334 -5.787 1.00 0.00 C ATOM 771 C SER A 55 13.985 5.355 -6.057 1.00 0.00 C ATOM 772 O SER A 55 13.765 4.210 -6.440 1.00 0.00 O ATOM 773 CB SER A 55 12.538 7.148 -7.043 1.00 0.00 C ATOM 774 OG SER A 55 13.598 8.045 -7.336 1.00 0.00 O ATOM 0 H SER A 55 13.897 7.941 -4.963 1.00 0.00 H new ATOM 0 HA SER A 55 11.961 5.766 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.380 6.477 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.612 7.706 -6.902 1.00 0.00 H new ATOM 0 HG SER A 55 13.381 8.555 -8.144 1.00 0.00 H new ATOM 780 N PHE A 56 15.209 5.825 -5.820 1.00 0.00 N ATOM 781 CA PHE A 56 16.417 5.042 -6.068 1.00 0.00 C ATOM 782 C PHE A 56 17.535 5.521 -5.149 1.00 0.00 C ATOM 783 O PHE A 56 18.715 5.436 -5.486 1.00 0.00 O ATOM 784 CB PHE A 56 16.874 5.161 -7.531 1.00 0.00 C ATOM 785 CG PHE A 56 15.978 4.477 -8.527 1.00 0.00 C ATOM 786 CD1 PHE A 56 15.952 3.094 -8.617 1.00 0.00 C ATOM 787 CD2 PHE A 56 15.168 5.216 -9.378 1.00 0.00 C ATOM 788 CE1 PHE A 56 15.135 2.460 -9.532 1.00 0.00 C ATOM 789 CE2 PHE A 56 14.348 4.586 -10.296 1.00 0.00 C ATOM 790 CZ PHE A 56 14.331 3.207 -10.373 1.00 0.00 C ATOM 0 H PHE A 56 15.390 6.759 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 56 16.187 3.996 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.944 6.217 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.877 4.744 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.578 2.505 -7.963 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.178 6.295 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.124 1.382 -9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.721 5.172 -10.952 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.691 2.713 -11.089 1.00 0.00 H new ATOM 800 N SER A 57 17.157 6.018 -3.978 1.00 0.00 N ATOM 801 CA SER A 57 18.122 6.606 -3.060 1.00 0.00 C ATOM 802 C SER A 57 18.737 5.546 -2.151 1.00 0.00 C ATOM 803 O SER A 57 19.693 5.829 -1.428 1.00 0.00 O ATOM 804 CB SER A 57 17.458 7.705 -2.225 1.00 0.00 C ATOM 805 OG SER A 57 18.410 8.423 -1.457 1.00 0.00 O ATOM 0 H SER A 57 16.194 6.026 -3.643 1.00 0.00 H new ATOM 0 HA SER A 57 18.925 7.047 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.927 8.393 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.715 7.261 -1.562 1.00 0.00 H new ATOM 0 HG SER A 57 19.210 7.871 -1.328 1.00 0.00 H new ATOM 811 N LYS A 58 18.188 4.324 -2.232 1.00 0.00 N ATOM 812 CA LYS A 58 18.620 3.161 -1.432 1.00 0.00 C ATOM 813 C LYS A 58 18.917 3.524 0.025 1.00 0.00 C ATOM 814 O LYS A 58 18.370 4.488 0.562 1.00 0.00 O ATOM 815 CB LYS A 58 19.833 2.438 -2.070 1.00 0.00 C ATOM 816 CG LYS A 58 21.138 3.227 -2.113 1.00 0.00 C ATOM 817 CD LYS A 58 21.267 4.052 -3.380 1.00 0.00 C ATOM 818 CE LYS A 58 22.590 4.796 -3.427 1.00 0.00 C ATOM 819 NZ LYS A 58 22.762 5.717 -2.273 1.00 0.00 N ATOM 0 H LYS A 58 17.418 4.110 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 58 17.776 2.472 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.009 1.513 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.568 2.157 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.191 3.885 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.980 2.538 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.184 3.400 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.445 4.765 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.409 4.076 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.651 5.365 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.539 6.379 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.883 6.251 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.984 5.166 -1.419 1.00 0.00 H new ATOM 833 N ASP A 59 19.732 2.688 0.662 1.00 0.00 N ATOM 834 CA ASP A 59 20.250 2.950 2.002 1.00 0.00 C ATOM 835 C ASP A 59 19.127 3.067 3.039 1.00 0.00 C ATOM 836 O ASP A 59 18.139 2.335 2.967 1.00 0.00 O ATOM 837 CB ASP A 59 21.142 4.198 1.988 1.00 0.00 C ATOM 838 CG ASP A 59 22.388 4.000 1.141 1.00 0.00 C ATOM 839 OD1 ASP A 59 23.106 2.999 1.350 1.00 0.00 O ATOM 840 OD2 ASP A 59 22.660 4.846 0.261 1.00 0.00 O ATOM 0 H ASP A 59 20.053 1.806 0.262 1.00 0.00 H new ATOM 0 HA ASP A 59 20.858 2.097 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.574 5.045 1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.433 4.446 3.009 1.00 0.00 H new ATOM 845 N TRP A 60 19.296 3.970 4.007 1.00 0.00 N ATOM 846 CA TRP A 60 18.412 4.051 5.177 1.00 0.00 C ATOM 847 C TRP A 60 16.931 4.100 4.788 1.00 0.00 C ATOM 848 O TRP A 60 16.510 4.856 3.913 1.00 0.00 O ATOM 849 CB TRP A 60 18.805 5.244 6.072 1.00 0.00 C ATOM 850 CG TRP A 60 18.254 6.587 5.676 1.00 0.00 C ATOM 851 CD1 TRP A 60 17.582 7.454 6.504 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.314 7.227 4.383 1.00 0.00 C ATOM 853 NE1 TRP A 60 17.233 8.586 5.815 1.00 0.00 N ATOM 854 CE2 TRP A 60 17.662 8.471 4.515 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.850 6.877 3.126 1.00 0.00 C ATOM 856 CZ2 TRP A 60 17.532 9.361 3.451 1.00 0.00 C ATOM 857 CZ3 TRP A 60 18.713 7.762 2.077 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.062 8.991 2.242 1.00 0.00 C ATOM 0 H TRP A 60 20.044 4.663 4.005 1.00 0.00 H new ATOM 0 HA TRP A 60 18.546 3.134 5.751 1.00 0.00 H new ATOM 0 HB2 TRP A 60 18.481 5.029 7.090 1.00 0.00 H new ATOM 0 HB3 TRP A 60 19.893 5.313 6.091 1.00 0.00 H new ATOM 0 HD1 TRP A 60 17.361 7.270 7.545 1.00 0.00 H new ATOM 0 HE1 TRP A 60 16.735 9.386 6.205 1.00 0.00 H new ATOM 0 HE3 TRP A 60 19.358 5.934 2.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 17.031 10.310 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 19.116 7.502 1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 60 17.976 9.661 1.399 1.00 0.00 H new ATOM 869 N SER A 61 16.158 3.247 5.436 1.00 0.00 N ATOM 870 CA SER A 61 14.736 3.151 5.185 1.00 0.00 C ATOM 871 C SER A 61 13.985 3.603 6.435 1.00 0.00 C ATOM 872 O SER A 61 14.106 2.964 7.482 1.00 0.00 O ATOM 873 CB SER A 61 14.367 1.704 4.861 1.00 0.00 C ATOM 874 OG SER A 61 12.978 1.568 4.597 1.00 0.00 O ATOM 0 H SER A 61 16.500 2.603 6.149 1.00 0.00 H new ATOM 0 HA SER A 61 14.466 3.784 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.938 1.367 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.644 1.061 5.696 1.00 0.00 H new ATOM 0 HG SER A 61 12.848 1.270 3.672 1.00 0.00 H new ATOM 880 N PHE A 62 13.220 4.687 6.366 1.00 0.00 N ATOM 881 CA PHE A 62 12.566 5.203 7.543 1.00 0.00 C ATOM 882 C PHE A 62 11.048 5.049 7.402 1.00 0.00 C ATOM 883 O PHE A 62 10.446 4.175 8.028 1.00 0.00 O ATOM 884 CB PHE A 62 12.995 6.670 7.771 1.00 0.00 C ATOM 885 CG PHE A 62 12.848 7.570 6.559 1.00 0.00 C ATOM 886 CD1 PHE A 62 11.861 8.546 6.517 1.00 0.00 C ATOM 887 CD2 PHE A 62 13.688 7.429 5.462 1.00 0.00 C ATOM 888 CE1 PHE A 62 11.713 9.356 5.406 1.00 0.00 C ATOM 889 CE2 PHE A 62 13.543 8.239 4.350 1.00 0.00 C ATOM 890 CZ PHE A 62 12.556 9.199 4.323 1.00 0.00 C ATOM 0 H PHE A 62 13.044 5.215 5.511 1.00 0.00 H new ATOM 0 HA PHE A 62 12.866 4.635 8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.404 7.084 8.588 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.036 6.684 8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.201 8.674 7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.464 6.678 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.940 10.110 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.203 8.119 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.441 9.830 3.454 1.00 0.00 H new ATOM 900 N TYR A 63 10.443 5.873 6.557 1.00 0.00 N ATOM 901 CA TYR A 63 9.018 5.799 6.288 1.00 0.00 C ATOM 902 C TYR A 63 8.750 5.835 4.778 1.00 0.00 C ATOM 903 O TYR A 63 8.927 6.859 4.122 1.00 0.00 O ATOM 904 CB TYR A 63 8.278 6.930 7.036 1.00 0.00 C ATOM 905 CG TYR A 63 7.825 6.531 8.438 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.542 6.029 8.657 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.676 6.640 9.538 1.00 0.00 C ATOM 908 CE1 TYR A 63 6.121 5.652 9.924 1.00 0.00 C ATOM 909 CE2 TYR A 63 8.259 6.264 10.809 1.00 0.00 C ATOM 910 CZ TYR A 63 6.983 5.771 10.990 1.00 0.00 C ATOM 911 OH TYR A 63 6.566 5.399 12.249 1.00 0.00 O ATOM 0 H TYR A 63 10.927 6.608 6.041 1.00 0.00 H new ATOM 0 HA TYR A 63 8.632 4.849 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.933 7.798 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.408 7.233 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.863 5.932 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 63 9.676 7.023 9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.123 5.267 10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.930 6.357 11.650 1.00 0.00 H new ATOM 0 HH TYR A 63 7.293 5.544 12.890 1.00 0.00 H new ATOM 921 N LEU A 64 8.347 4.680 4.249 1.00 0.00 N ATOM 922 CA LEU A 64 7.966 4.514 2.840 1.00 0.00 C ATOM 923 C LEU A 64 6.451 4.415 2.754 1.00 0.00 C ATOM 924 O LEU A 64 5.846 3.579 3.429 1.00 0.00 O ATOM 925 CB LEU A 64 8.560 3.205 2.300 1.00 0.00 C ATOM 926 CG LEU A 64 9.875 3.299 1.519 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.478 1.907 1.351 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.633 3.943 0.158 1.00 0.00 C ATOM 0 H LEU A 64 8.274 3.819 4.792 1.00 0.00 H new ATOM 0 HA LEU A 64 8.334 5.360 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.716 2.532 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.816 2.739 1.654 1.00 0.00 H new ATOM 0 HG LEU A 64 10.577 3.921 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.413 1.980 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.672 1.474 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.780 1.272 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.574 4.005 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.924 3.340 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.228 4.945 0.297 1.00 0.00 H new ATOM 940 N LEU A 65 5.838 5.268 1.946 1.00 0.00 N ATOM 941 CA LEU A 65 4.393 5.267 1.791 1.00 0.00 C ATOM 942 C LEU A 65 4.007 5.511 0.334 1.00 0.00 C ATOM 943 O LEU A 65 4.653 6.293 -0.359 1.00 0.00 O ATOM 944 CB LEU A 65 3.789 6.369 2.669 1.00 0.00 C ATOM 945 CG LEU A 65 2.283 6.589 2.528 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.523 5.368 3.004 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.852 7.824 3.305 1.00 0.00 C ATOM 0 H LEU A 65 6.321 5.971 1.387 1.00 0.00 H new ATOM 0 HA LEU A 65 4.008 4.294 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.006 6.135 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.296 7.307 2.441 1.00 0.00 H new ATOM 0 HG LEU A 65 2.053 6.748 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.452 5.541 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.812 4.504 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.757 5.179 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.777 7.967 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.094 7.693 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.376 8.698 2.918 1.00 0.00 H new ATOM 959 N TYR A 66 2.952 4.848 -0.118 1.00 0.00 N ATOM 960 CA TYR A 66 2.411 5.066 -1.458 1.00 0.00 C ATOM 961 C TYR A 66 0.958 5.494 -1.324 1.00 0.00 C ATOM 962 O TYR A 66 0.320 5.160 -0.327 1.00 0.00 O ATOM 963 CB TYR A 66 2.536 3.801 -2.323 1.00 0.00 C ATOM 964 CG TYR A 66 3.960 3.532 -2.787 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.982 3.307 -1.872 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.284 3.516 -4.142 1.00 0.00 C ATOM 967 CE1 TYR A 66 6.279 3.076 -2.292 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.578 3.283 -4.565 1.00 0.00 C ATOM 969 CZ TYR A 66 6.569 3.063 -3.637 1.00 0.00 C ATOM 970 OH TYR A 66 7.861 2.836 -4.055 1.00 0.00 O ATOM 0 H TYR A 66 2.448 4.148 0.427 1.00 0.00 H new ATOM 0 HA TYR A 66 2.982 5.848 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.177 2.943 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.889 3.899 -3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.759 3.313 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.510 3.689 -4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.061 2.906 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.811 3.274 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 66 8.259 3.678 -4.360 1.00 0.00 H new ATOM 980 N TYR A 67 0.418 6.216 -2.304 1.00 0.00 N ATOM 981 CA TYR A 67 -0.892 6.832 -2.105 1.00 0.00 C ATOM 982 C TYR A 67 -1.783 6.748 -3.356 1.00 0.00 C ATOM 983 O TYR A 67 -1.360 7.085 -4.464 1.00 0.00 O ATOM 984 CB TYR A 67 -0.753 8.285 -1.559 1.00 0.00 C ATOM 985 CG TYR A 67 0.082 9.287 -2.372 1.00 0.00 C ATOM 986 CD1 TYR A 67 1.405 9.035 -2.760 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.460 10.529 -2.712 1.00 0.00 C ATOM 988 CE1 TYR A 67 2.132 9.985 -3.471 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.265 11.468 -3.420 1.00 0.00 C ATOM 990 CZ TYR A 67 1.555 11.190 -3.796 1.00 0.00 C ATOM 991 OH TYR A 67 2.280 12.127 -4.499 1.00 0.00 O ATOM 0 H TYR A 67 0.849 6.385 -3.213 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.410 6.251 -1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.756 8.698 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.322 8.226 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.866 8.092 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.472 10.761 -2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.149 9.776 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.182 12.417 -3.677 1.00 0.00 H new ATOM 0 HH TYR A 67 1.728 12.923 -4.649 1.00 0.00 H new ATOM 1001 N THR A 68 -3.026 6.277 -3.148 1.00 0.00 N ATOM 1002 CA THR A 68 -3.997 6.037 -4.228 1.00 0.00 C ATOM 1003 C THR A 68 -5.401 6.446 -3.763 1.00 0.00 C ATOM 1004 O THR A 68 -5.726 6.350 -2.574 1.00 0.00 O ATOM 1005 CB THR A 68 -4.007 4.540 -4.669 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.393 4.438 -6.039 1.00 0.00 O ATOM 1007 CG2 THR A 68 -4.973 3.699 -3.845 1.00 0.00 C ATOM 0 H THR A 68 -3.386 6.051 -2.221 1.00 0.00 H new ATOM 0 HA THR A 68 -3.699 6.640 -5.086 1.00 0.00 H new ATOM 0 HB THR A 68 -2.996 4.162 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.348 5.323 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.942 2.666 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.685 3.738 -2.795 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.984 4.090 -3.959 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.203 6.944 -4.701 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.605 7.285 -4.437 1.00 0.00 C ATOM 1017 C GLU A 69 -8.420 6.013 -4.198 1.00 0.00 C ATOM 1018 O GLU A 69 -8.251 5.029 -4.920 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.211 8.046 -5.634 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.681 8.399 -5.444 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.274 9.069 -6.661 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.547 10.284 -6.597 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.454 8.387 -7.691 1.00 0.00 O ATOM 0 H GLU A 69 -5.905 7.123 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.638 7.918 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.643 8.962 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.104 7.439 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.244 7.492 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.785 9.059 -4.582 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.298 6.017 -3.196 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.166 4.867 -2.971 1.00 0.00 C ATOM 1032 C PHE A 70 -11.609 5.286 -2.747 1.00 0.00 C ATOM 1033 O PHE A 70 -11.882 6.435 -2.421 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.656 4.016 -1.795 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.893 4.543 -0.391 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.833 4.660 0.490 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.158 4.889 0.059 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.031 5.111 1.788 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.358 5.344 1.347 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.297 5.453 2.213 1.00 0.00 C ATOM 0 H PHE A 70 -9.425 6.788 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.138 4.257 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.119 3.032 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.583 3.874 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.838 4.397 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.002 4.801 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.193 5.194 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.351 5.615 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.454 5.805 3.222 1.00 0.00 H new ATOM 1050 N THR A 71 -12.524 4.357 -2.973 1.00 0.00 N ATOM 1051 CA THR A 71 -13.906 4.504 -2.546 1.00 0.00 C ATOM 1052 C THR A 71 -14.436 3.146 -2.065 1.00 0.00 C ATOM 1053 O THR A 71 -14.607 2.235 -2.875 1.00 0.00 O ATOM 1054 CB THR A 71 -14.771 5.051 -3.707 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.218 6.293 -4.166 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.209 5.274 -3.265 1.00 0.00 C ATOM 0 H THR A 71 -12.330 3.481 -3.457 1.00 0.00 H new ATOM 0 HA THR A 71 -13.958 5.217 -1.723 1.00 0.00 H new ATOM 0 HB THR A 71 -14.770 4.316 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.763 6.641 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.792 5.658 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.637 4.330 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.231 5.994 -2.447 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.665 2.964 -0.741 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.056 1.661 -0.203 1.00 0.00 C ATOM 1066 C PRO A 72 -16.475 1.271 -0.546 1.00 0.00 C ATOM 1067 O PRO A 72 -17.384 2.101 -0.604 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.902 1.783 1.317 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.539 3.210 1.612 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.567 3.993 0.320 1.00 0.00 C ATOM 0 HA PRO A 72 -14.431 0.881 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.829 1.509 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.129 1.106 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.240 3.638 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.549 3.262 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.416 4.676 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.667 4.597 0.204 1.00 0.00 H new ATOM 1078 N THR A 73 -16.621 -0.013 -0.773 1.00 0.00 N ATOM 1079 CA THR A 73 -17.889 -0.633 -1.076 1.00 0.00 C ATOM 1080 C THR A 73 -18.041 -1.867 -0.195 1.00 0.00 C ATOM 1081 O THR A 73 -17.053 -2.357 0.357 1.00 0.00 O ATOM 1082 CB THR A 73 -17.943 -1.036 -2.568 1.00 0.00 C ATOM 1083 OG1 THR A 73 -16.871 -1.941 -2.859 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.840 0.190 -3.473 1.00 0.00 C ATOM 0 H THR A 73 -15.842 -0.671 -0.752 1.00 0.00 H new ATOM 0 HA THR A 73 -18.702 0.067 -0.883 1.00 0.00 H new ATOM 0 HB THR A 73 -18.900 -1.522 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.907 -2.197 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.881 -0.123 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.669 0.867 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.897 0.703 -3.285 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.266 -2.350 -0.035 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.524 -3.587 0.698 1.00 0.00 C ATOM 1094 C GLU A 74 -18.820 -4.800 0.051 1.00 0.00 C ATOM 1095 O GLU A 74 -18.800 -5.888 0.618 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.054 -3.801 0.805 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.463 -5.159 1.333 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.247 -5.293 2.824 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.964 -4.616 3.594 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.372 -6.080 3.239 1.00 0.00 O ATOM 0 H GLU A 74 -20.104 -1.901 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.105 -3.497 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.471 -3.032 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.498 -3.660 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.515 -5.331 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.894 -5.932 0.816 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.226 -4.615 -1.122 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.625 -5.736 -1.838 1.00 0.00 C ATOM 1109 C LYS A 75 -16.089 -5.689 -1.974 1.00 0.00 C ATOM 1110 O LYS A 75 -15.466 -6.747 -2.087 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.258 -5.876 -3.237 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.747 -6.264 -3.267 1.00 0.00 C ATOM 1113 CD LYS A 75 -19.965 -7.781 -3.270 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.363 -8.471 -2.055 1.00 0.00 C ATOM 1115 NZ LYS A 75 -19.689 -9.919 -2.012 1.00 0.00 N ATOM 0 H LYS A 75 -18.147 -3.714 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.838 -6.606 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.139 -4.930 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.696 -6.625 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.248 -5.831 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.212 -5.833 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.034 -7.989 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.528 -8.203 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.280 -8.344 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.730 -7.991 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.258 -10.347 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.721 -10.042 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.316 -10.384 -2.864 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.457 -4.515 -2.000 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.043 -4.467 -2.364 1.00 0.00 C ATOM 1131 C ASP A 76 -13.098 -4.411 -1.152 1.00 0.00 C ATOM 1132 O ASP A 76 -13.319 -3.670 -0.192 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.746 -3.300 -3.296 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.314 -3.347 -3.755 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -11.970 -4.284 -4.507 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.532 -2.458 -3.385 1.00 0.00 O ATOM 0 H ASP A 76 -15.884 -3.615 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.850 -5.406 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.412 -3.336 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.939 -2.358 -2.783 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.049 -5.225 -1.242 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.979 -5.329 -0.250 1.00 0.00 C ATOM 1143 C GLU A 77 -9.729 -4.617 -0.783 1.00 0.00 C ATOM 1144 O GLU A 77 -9.408 -4.741 -1.967 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.750 -6.839 -0.016 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.539 -7.276 0.798 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.256 -7.384 -0.011 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.957 -8.499 -0.490 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.541 -6.386 -0.153 1.00 0.00 O ATOM 0 H GLU A 77 -11.915 -5.853 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.230 -4.850 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.639 -7.236 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.683 -7.319 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.385 -6.566 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.751 -8.243 1.255 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.037 -3.873 0.077 1.00 0.00 N ATOM 1157 CA TYR A 78 -7.852 -3.111 -0.337 1.00 0.00 C ATOM 1158 C TYR A 78 -6.596 -3.653 0.338 1.00 0.00 C ATOM 1159 O TYR A 78 -6.544 -3.779 1.564 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.012 -1.623 -0.002 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.062 -0.910 -0.822 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.698 -0.061 -1.859 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.411 -1.082 -0.555 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.654 0.597 -2.609 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.374 -0.429 -1.301 1.00 0.00 C ATOM 1166 CZ TYR A 78 -10.989 0.411 -2.325 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.942 1.058 -3.077 1.00 0.00 O ATOM 0 H TYR A 78 -9.273 -3.779 1.065 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.751 -3.221 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.264 -1.525 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.054 -1.125 -0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.652 0.087 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.715 -1.737 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.356 1.253 -3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.422 -0.576 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.772 1.130 -2.561 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.580 -3.952 -0.467 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.365 -4.598 0.014 1.00 0.00 C ATOM 1179 C ALA A 79 -3.113 -3.891 -0.507 1.00 0.00 C ATOM 1180 O ALA A 79 -3.182 -3.126 -1.463 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.364 -6.049 -0.438 1.00 0.00 C ATOM 0 H ALA A 79 -5.577 -3.754 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.349 -4.543 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.458 -6.540 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.237 -6.558 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.396 -6.091 -1.527 1.00 0.00 H new ATOM 1187 N CYS A 80 -1.970 -4.128 0.132 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.702 -3.603 -0.369 1.00 0.00 C ATOM 1189 C CYS A 80 0.326 -4.732 -0.523 1.00 0.00 C ATOM 1190 O CYS A 80 0.528 -5.522 0.399 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.189 -2.500 0.558 1.00 0.00 C ATOM 1192 SG CYS A 80 1.489 -1.907 0.185 1.00 0.00 S ATOM 0 H CYS A 80 -1.895 -4.675 0.990 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.862 -3.168 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.876 -1.656 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.209 -2.869 1.584 1.00 0.00 H new ATOM 1197 N ARG A 81 0.936 -4.826 -1.705 1.00 0.00 N ATOM 1198 CA ARG A 81 1.863 -5.914 -2.042 1.00 0.00 C ATOM 1199 C ARG A 81 3.307 -5.415 -2.007 1.00 0.00 C ATOM 1200 O ARG A 81 3.613 -4.400 -2.624 1.00 0.00 O ATOM 1201 CB ARG A 81 1.536 -6.413 -3.458 1.00 0.00 C ATOM 1202 CG ARG A 81 2.051 -7.812 -3.808 1.00 0.00 C ATOM 1203 CD ARG A 81 1.302 -8.392 -5.017 1.00 0.00 C ATOM 1204 NE ARG A 81 1.459 -7.551 -6.207 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.667 -7.604 -7.277 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.329 -8.481 -7.325 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.883 -6.787 -8.300 1.00 0.00 N ATOM 0 H ARG A 81 0.803 -4.151 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 81 1.754 -6.720 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.454 -6.403 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.948 -5.705 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.118 -7.766 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.929 -8.473 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.674 -9.395 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.243 -8.489 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 81 2.227 -6.880 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.488 -9.115 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.935 -8.521 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.654 -6.120 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.278 -6.826 -9.120 1.00 0.00 H new ATOM 1221 N VAL A 82 4.195 -6.110 -1.296 1.00 0.00 N ATOM 1222 CA VAL A 82 5.602 -5.712 -1.287 1.00 0.00 C ATOM 1223 C VAL A 82 6.533 -6.902 -1.496 1.00 0.00 C ATOM 1224 O VAL A 82 6.296 -8.001 -0.992 1.00 0.00 O ATOM 1225 CB VAL A 82 6.009 -4.960 0.008 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.338 -5.927 1.135 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.184 -4.038 -0.266 1.00 0.00 C ATOM 0 H VAL A 82 3.973 -6.931 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 82 5.711 -5.024 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 82 5.158 -4.360 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.619 -5.365 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.465 -6.542 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.167 -6.568 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.459 -3.517 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.032 -4.625 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.905 -3.310 -1.028 1.00 0.00 H new ATOM 1237 N ASN A 83 7.576 -6.658 -2.276 1.00 0.00 N ATOM 1238 CA ASN A 83 8.606 -7.660 -2.528 1.00 0.00 C ATOM 1239 C ASN A 83 9.998 -7.060 -2.413 1.00 0.00 C ATOM 1240 O ASN A 83 10.220 -5.895 -2.758 1.00 0.00 O ATOM 1241 CB ASN A 83 8.420 -8.281 -3.916 1.00 0.00 C ATOM 1242 CG ASN A 83 9.187 -9.583 -4.078 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.446 -10.288 -3.103 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.539 -9.913 -5.310 1.00 0.00 N ATOM 0 H ASN A 83 7.733 -5.768 -2.749 1.00 0.00 H new ATOM 0 HA ASN A 83 8.504 -8.438 -1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.360 -8.464 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.750 -7.572 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.046 -10.782 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.304 -9.299 -6.089 1.00 0.00 H new ATOM 1251 N HIS A 84 10.926 -7.865 -1.913 1.00 0.00 N ATOM 1252 CA HIS A 84 12.323 -7.475 -1.801 1.00 0.00 C ATOM 1253 C HIS A 84 13.201 -8.657 -2.197 1.00 0.00 C ATOM 1254 O HIS A 84 12.715 -9.784 -2.258 1.00 0.00 O ATOM 1255 CB HIS A 84 12.657 -7.021 -0.367 1.00 0.00 C ATOM 1256 CG HIS A 84 14.033 -6.433 -0.206 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.123 -7.221 0.071 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.439 -5.147 -0.313 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.160 -6.404 0.122 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.797 -5.135 -0.107 1.00 0.00 N ATOM 0 H HIS A 84 10.730 -8.807 -1.574 1.00 0.00 H new ATOM 0 HA HIS A 84 12.511 -6.634 -2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.920 -6.282 -0.052 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.559 -7.875 0.304 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.814 -4.291 -0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.173 -6.720 0.323 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.409 -4.319 -0.125 1.00 0.00 H new ATOM 1268 N VAL A 85 14.473 -8.400 -2.474 1.00 0.00 N ATOM 1269 CA VAL A 85 15.426 -9.459 -2.818 1.00 0.00 C ATOM 1270 C VAL A 85 15.411 -10.599 -1.788 1.00 0.00 C ATOM 1271 O VAL A 85 15.610 -11.765 -2.137 1.00 0.00 O ATOM 1272 CB VAL A 85 16.867 -8.906 -2.950 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.851 -10.010 -3.334 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.911 -7.775 -3.968 1.00 0.00 C ATOM 0 H VAL A 85 14.875 -7.463 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 85 15.108 -9.856 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 85 17.167 -8.514 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.853 -9.591 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.846 -10.785 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.557 -10.443 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.930 -7.398 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.584 -8.147 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.251 -6.970 -3.646 1.00 0.00 H new ATOM 1284 N THR A 86 15.151 -10.273 -0.526 1.00 0.00 N ATOM 1285 CA THR A 86 15.125 -11.295 0.526 1.00 0.00 C ATOM 1286 C THR A 86 13.943 -12.251 0.331 1.00 0.00 C ATOM 1287 O THR A 86 14.129 -13.473 0.293 1.00 0.00 O ATOM 1288 CB THR A 86 15.097 -10.674 1.952 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.816 -11.682 2.934 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.063 -9.562 2.063 1.00 0.00 C ATOM 0 H THR A 86 14.957 -9.324 -0.205 1.00 0.00 H new ATOM 0 HA THR A 86 16.052 -11.862 0.439 1.00 0.00 H new ATOM 0 HB THR A 86 16.083 -10.247 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.803 -11.276 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.074 -9.154 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.300 -8.772 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.073 -9.963 1.845 1.00 0.00 H new ATOM 1298 N LEU A 87 12.736 -11.707 0.203 1.00 0.00 N ATOM 1299 CA LEU A 87 11.555 -12.530 -0.050 1.00 0.00 C ATOM 1300 C LEU A 87 11.658 -13.234 -1.406 1.00 0.00 C ATOM 1301 O LEU A 87 12.284 -12.732 -2.338 1.00 0.00 O ATOM 1302 CB LEU A 87 10.275 -11.690 -0.024 1.00 0.00 C ATOM 1303 CG LEU A 87 10.109 -10.756 1.174 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.889 -9.882 0.980 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.003 -11.554 2.467 1.00 0.00 C ATOM 0 H LEU A 87 12.549 -10.706 0.270 1.00 0.00 H new ATOM 0 HA LEU A 87 11.510 -13.275 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.239 -11.091 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.420 -12.366 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 87 10.989 -10.117 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.777 -9.219 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.008 -9.287 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.003 -10.510 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.885 -10.870 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.140 -12.218 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.908 -12.146 2.604 1.00 0.00 H new ATOM 1317 N SER A 88 11.048 -14.403 -1.503 1.00 0.00 N ATOM 1318 CA SER A 88 10.972 -15.131 -2.765 1.00 0.00 C ATOM 1319 C SER A 88 9.516 -15.121 -3.241 1.00 0.00 C ATOM 1320 O SER A 88 9.142 -15.786 -4.212 1.00 0.00 O ATOM 1321 CB SER A 88 11.474 -16.562 -2.570 1.00 0.00 C ATOM 1322 OG SER A 88 11.724 -17.196 -3.814 1.00 0.00 O ATOM 0 H SER A 88 10.595 -14.873 -0.720 1.00 0.00 H new ATOM 0 HA SER A 88 11.601 -14.656 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.387 -16.551 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.736 -17.135 -2.009 1.00 0.00 H new ATOM 0 HG SER A 88 10.985 -17.009 -4.431 1.00 0.00 H new ATOM 1328 N GLN A 89 8.709 -14.344 -2.526 1.00 0.00 N ATOM 1329 CA GLN A 89 7.289 -14.203 -2.792 1.00 0.00 C ATOM 1330 C GLN A 89 6.774 -12.948 -2.077 1.00 0.00 C ATOM 1331 O GLN A 89 6.908 -12.832 -0.858 1.00 0.00 O ATOM 1332 CB GLN A 89 6.506 -15.459 -2.332 1.00 0.00 C ATOM 1333 CG GLN A 89 6.518 -15.728 -0.824 1.00 0.00 C ATOM 1334 CD GLN A 89 7.849 -16.244 -0.304 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.718 -15.472 0.110 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.019 -17.555 -0.320 1.00 0.00 N ATOM 0 H GLN A 89 9.032 -13.788 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 89 7.133 -14.102 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.470 -15.360 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.918 -16.330 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.265 -14.807 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.740 -16.454 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.277 -18.161 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.892 -17.960 0.018 1.00 0.00 H new ATOM 1345 N PRO A 90 6.233 -11.957 -2.812 1.00 0.00 N ATOM 1346 CA PRO A 90 5.696 -10.750 -2.177 1.00 0.00 C ATOM 1347 C PRO A 90 4.487 -11.043 -1.312 1.00 0.00 C ATOM 1348 O PRO A 90 3.783 -12.033 -1.516 1.00 0.00 O ATOM 1349 CB PRO A 90 5.293 -9.841 -3.330 1.00 0.00 C ATOM 1350 CG PRO A 90 5.176 -10.738 -4.523 1.00 0.00 C ATOM 1351 CD PRO A 90 6.125 -11.909 -4.286 1.00 0.00 C ATOM 0 HA PRO A 90 6.438 -10.302 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.348 -9.339 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.038 -9.063 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.151 -11.089 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.440 -10.204 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.727 -12.839 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.094 -11.744 -4.757 1.00 0.00 H new ATOM 1359 N LYS A 91 4.240 -10.167 -0.358 1.00 0.00 N ATOM 1360 CA LYS A 91 3.162 -10.370 0.590 1.00 0.00 C ATOM 1361 C LYS A 91 2.034 -9.380 0.343 1.00 0.00 C ATOM 1362 O LYS A 91 2.256 -8.280 -0.167 1.00 0.00 O ATOM 1363 CB LYS A 91 3.660 -10.233 2.036 1.00 0.00 C ATOM 1364 CG LYS A 91 4.844 -11.135 2.390 1.00 0.00 C ATOM 1365 CD LYS A 91 4.650 -12.563 1.883 1.00 0.00 C ATOM 1366 CE LYS A 91 5.335 -13.598 2.779 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.888 -13.503 4.195 1.00 0.00 N ATOM 0 H LYS A 91 4.771 -9.308 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 91 2.786 -11.383 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.945 -9.196 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.835 -10.456 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.756 -10.720 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.977 -11.150 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.584 -12.784 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.046 -12.643 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.125 -14.598 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.415 -13.459 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.018 -14.423 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.450 -12.781 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.883 -13.239 4.225 1.00 0.00 H new ATOM 1381 N ILE A 92 0.832 -9.792 0.704 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.325 -8.918 0.638 1.00 0.00 C ATOM 1383 C ILE A 92 -0.810 -8.577 2.042 1.00 0.00 C ATOM 1384 O ILE A 92 -0.951 -9.450 2.900 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.487 -9.495 -0.234 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.487 -8.845 -1.628 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.840 -9.294 0.430 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.187 -7.369 -1.596 1.00 0.00 C ATOM 0 H ILE A 92 0.631 -10.731 1.048 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.002 -8.005 0.138 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.317 -10.567 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.749 -9.345 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.460 -9.001 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.622 -9.708 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.851 -9.801 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.018 -8.229 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.202 -6.972 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.939 -6.858 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.202 -7.207 -1.158 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.021 -7.294 2.271 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.579 -6.814 3.518 1.00 0.00 C ATOM 1402 C VAL A 93 -2.906 -6.147 3.224 1.00 0.00 C ATOM 1403 O VAL A 93 -2.970 -5.195 2.452 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.636 -5.817 4.227 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.302 -4.625 3.346 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.238 -5.355 5.544 1.00 0.00 C ATOM 0 H VAL A 93 -0.810 -6.558 1.598 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.713 -7.663 4.189 1.00 0.00 H new ATOM 0 HB VAL A 93 0.297 -6.342 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.363 -3.950 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.190 -4.971 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.219 -4.098 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.559 -4.653 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.193 -4.864 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.395 -6.216 6.194 1.00 0.00 H new ATOM 1416 N LYS A 94 -3.964 -6.645 3.816 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.286 -6.158 3.483 1.00 0.00 C ATOM 1418 C LYS A 94 -5.838 -5.338 4.634 1.00 0.00 C ATOM 1419 O LYS A 94 -5.541 -5.609 5.800 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.217 -7.322 3.166 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.608 -8.345 2.233 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.161 -9.737 2.509 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.777 -10.238 3.897 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.292 -11.604 4.159 1.00 0.00 N ATOM 0 H LYS A 94 -3.940 -7.379 4.524 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.216 -5.524 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.501 -7.814 4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.132 -6.934 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.814 -8.067 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.525 -8.351 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.247 -9.721 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.788 -10.432 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.691 -10.235 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.167 -9.553 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.008 -11.905 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.330 -11.603 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.900 -12.263 3.457 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.634 -4.340 4.308 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.162 -3.431 5.316 1.00 0.00 C ATOM 1440 C TRP A 95 -8.419 -4.016 5.969 1.00 0.00 C ATOM 1441 O TRP A 95 -9.365 -4.423 5.286 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.421 -2.042 4.695 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.979 -1.013 5.647 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.489 -0.662 6.879 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.128 -0.176 5.425 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.269 0.312 7.441 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.285 0.632 6.572 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.043 -0.035 4.369 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.318 1.557 6.696 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.063 0.885 4.490 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.202 1.668 5.643 1.00 0.00 C ATOM 0 H TRP A 95 -6.932 -4.134 3.354 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.422 -3.306 6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.485 -1.664 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.113 -2.157 3.861 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.612 -1.093 7.340 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.120 0.733 8.358 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.949 -0.637 3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.423 2.164 7.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.768 1.004 3.681 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.018 2.373 5.709 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.400 -4.064 7.300 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.471 -4.672 8.092 1.00 0.00 C ATOM 1464 C ASP A 96 -10.766 -3.867 7.972 1.00 0.00 C ATOM 1465 O ASP A 96 -10.902 -2.791 8.551 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.035 -4.801 9.569 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.730 -3.472 10.236 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.477 -3.082 11.161 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.736 -2.818 9.851 1.00 0.00 O ATOM 0 H ASP A 96 -7.640 -3.682 7.862 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.665 -5.671 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.823 -5.305 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.150 -5.435 9.623 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.712 -4.393 7.191 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.005 -3.740 6.996 1.00 0.00 C ATOM 1476 C ARG A 97 -13.898 -4.569 6.078 1.00 0.00 C ATOM 1477 O ARG A 97 -15.099 -4.329 5.979 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.795 -2.326 6.419 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.493 -2.261 4.916 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.775 -2.135 4.067 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.883 -1.547 4.818 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.149 -1.572 4.409 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.462 -2.119 3.241 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.099 -1.047 5.168 1.00 0.00 N ATOM 0 H ARG A 97 -11.605 -5.271 6.683 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.504 -3.656 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.690 -1.736 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.974 -1.852 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.841 -1.411 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.949 -3.157 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.568 -1.522 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.067 -3.121 3.705 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.674 -1.092 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.731 -2.522 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.433 -2.137 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.860 -0.624 6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.070 -1.066 4.856 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.309 -5.570 5.437 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.010 -6.343 4.405 1.00 0.00 C ATOM 1500 C ASP A 98 -13.232 -7.617 4.051 1.00 0.00 C ATOM 1501 O ASP A 98 -13.700 -8.439 3.268 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.192 -5.483 3.155 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.246 -6.030 2.209 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.910 -6.851 1.329 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.425 -5.637 2.352 1.00 0.00 O ATOM 0 H ASP A 98 -12.349 -5.870 5.609 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.985 -6.635 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.469 -4.472 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.241 -5.411 2.628 1.00 0.00 H new ATOM 1510 N MET A 99 -12.050 -7.773 4.655 1.00 0.00 N ATOM 1511 CA MET A 99 -11.178 -8.926 4.394 1.00 0.00 C ATOM 1512 C MET A 99 -11.878 -10.240 4.730 1.00 0.00 C ATOM 1513 CB MET A 99 -9.855 -8.838 5.188 1.00 0.00 C ATOM 1514 CG MET A 99 -9.802 -7.748 6.278 1.00 0.00 C ATOM 1515 SD MET A 99 -11.198 -7.771 7.420 1.00 0.00 S ATOM 1516 CE MET A 99 -10.798 -9.208 8.413 1.00 0.00 C ATOM 0 H MET A 99 -11.672 -7.111 5.333 1.00 0.00 H new ATOM 0 HA MET A 99 -10.949 -8.904 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.669 -9.804 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.041 -8.663 4.484 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.880 -7.865 6.847 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.758 -6.771 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.570 -9.355 9.168 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.743 -10.089 7.773 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.836 -9.055 8.903 1.00 0.00 H new TER 1525 MET A 99