USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 45 TYR OH : rot -155:sc= -4.14! USER MOD Set 1.2: A 65 THR OG1 : rot 176:sc= -1.4! USER MOD Set 2.1: A 22 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 10 GLN : amide:sc= -2.52! C(o=-2.2!,f=-4.8!) USER MOD Set 3.2: A 14 ASN :FLIP amide:sc= 0.308 F(o=-12!,f=-2.2) USER MOD Single : A 4 SER OG : rot 12:sc= 1.02 USER MOD Single : A 7 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-7.1!) USER MOD Single : A 9 GLN :FLIP amide:sc= -4.96! C(o=-8.1!,f=-5!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 127:sc= -7.3! USER MOD Single : A 25 SER OG : rot 180:sc= -1.6 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 6:sc= -0.759 USER MOD Single : A 33 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.059) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.31! C(o=-3.3!,f=-16!) USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= -2.22! (180deg=-4.24!) USER MOD Single : A 44 GLN :FLIP amide:sc= -10.2! C(o=-16!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -7.6! C(o=-7.6!,f=-7.9!) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.22 (180deg=-0.609) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 59:sc= 0.252 USER MOD Single : A 72 CYS SG : rot -42:sc= -4.83! USER MOD Single : A 75 SER OG : rot -1:sc= 0.349! USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= -3.08! (180deg=-4.74!) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0464) USER MOD Single : A 84 TYR OH : rot 130:sc= -7.28! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -142:sc= -10.4! (180deg=-14.6!) USER MOD Single : A 97 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 99 THR OG1 : rot 130:sc= -1.58! USER MOD Single : A 109 THR OG1 : rot 90:sc= -3! USER MOD Single : A 111 SER OG : rot 94:sc= 1.01 USER MOD Single : A 112 THR OG1 : rot 86:sc= 1.13 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -2.02 F(o=-8.8!,f=-2) USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= -1.72 (180deg=-2.36!) USER MOD Single : A 116 LYS NZ :NH3+ 158:sc= 0.946 (180deg=0.548) USER MOD Single : A 117 SER OG : rot 130:sc= -1.2 USER MOD Single : A 119 ASN :FLIP amide:sc= -0.586 F(o=-1.8,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 22 N CYS A 3 -5.704 -12.293 2.437 1.00 0.00 N ATOM 23 CA CYS A 3 -4.516 -13.050 2.081 1.00 0.00 C ATOM 24 C CYS A 3 -3.464 -12.832 3.169 1.00 0.00 C ATOM 25 O CYS A 3 -3.328 -11.729 3.695 1.00 0.00 O ATOM 26 CB CYS A 3 -3.994 -12.663 0.696 1.00 0.00 C ATOM 27 SG CYS A 3 -2.404 -13.440 0.229 1.00 0.00 S ATOM 0 HA CYS A 3 -4.761 -14.110 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.745 -12.930 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.878 -11.580 0.657 1.00 0.00 H new ATOM 32 N SER A 4 -2.745 -13.903 3.475 1.00 0.00 N ATOM 33 CA SER A 4 -1.709 -13.843 4.491 1.00 0.00 C ATOM 34 C SER A 4 -0.579 -12.919 4.032 1.00 0.00 C ATOM 35 O SER A 4 0.166 -13.253 3.111 1.00 0.00 O ATOM 36 CB SER A 4 -1.161 -15.238 4.802 1.00 0.00 C ATOM 37 OG SER A 4 -0.343 -15.738 3.747 1.00 0.00 O ATOM 0 H SER A 4 -2.860 -14.817 3.037 1.00 0.00 H new ATOM 0 HA SER A 4 -2.149 -13.443 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.581 -15.202 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.991 -15.924 4.973 1.00 0.00 H new ATOM 0 HG SER A 4 -0.137 -15.013 3.121 1.00 0.00 H new ATOM 43 N PRO A 5 -0.484 -11.746 4.714 1.00 0.00 N ATOM 44 CA PRO A 5 0.544 -10.772 4.386 1.00 0.00 C ATOM 45 C PRO A 5 1.912 -11.222 4.900 1.00 0.00 C ATOM 46 O PRO A 5 2.224 -11.050 6.077 1.00 0.00 O ATOM 47 CB PRO A 5 0.069 -9.473 5.017 1.00 0.00 C ATOM 48 CG PRO A 5 -0.961 -9.870 6.062 1.00 0.00 C ATOM 49 CD PRO A 5 -1.346 -11.318 5.811 1.00 0.00 C ATOM 0 HA PRO A 5 0.681 -10.651 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.899 -8.933 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.368 -8.812 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.552 -9.752 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.838 -9.225 5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.189 -11.929 6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.399 -11.407 5.545 1.00 0.00 H new ATOM 57 N VAL A 6 2.692 -11.792 3.993 1.00 0.00 N ATOM 58 CA VAL A 6 4.020 -12.268 4.340 1.00 0.00 C ATOM 59 C VAL A 6 5.045 -11.642 3.394 1.00 0.00 C ATOM 60 O VAL A 6 5.022 -10.436 3.158 1.00 0.00 O ATOM 61 CB VAL A 6 4.047 -13.798 4.326 1.00 0.00 C ATOM 62 CG1 VAL A 6 3.915 -14.334 2.899 1.00 0.00 C ATOM 63 CG2 VAL A 6 5.315 -14.330 4.996 1.00 0.00 C ATOM 0 H VAL A 6 2.429 -11.935 3.018 1.00 0.00 H new ATOM 0 HA VAL A 6 4.284 -11.961 5.352 1.00 0.00 H new ATOM 0 HB VAL A 6 3.191 -14.154 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.937 -15.424 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.972 -13.997 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.742 -13.964 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.309 -15.420 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.191 -13.960 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.350 -13.990 6.031 1.00 0.00 H new ATOM 73 N HIS A 7 5.922 -12.491 2.878 1.00 0.00 N ATOM 74 CA HIS A 7 6.955 -12.036 1.962 1.00 0.00 C ATOM 75 C HIS A 7 7.564 -10.733 2.482 1.00 0.00 C ATOM 76 O HIS A 7 7.187 -9.648 2.043 1.00 0.00 O ATOM 77 CB HIS A 7 6.403 -11.907 0.542 1.00 0.00 C ATOM 78 CG HIS A 7 4.930 -11.577 0.482 1.00 0.00 C ATOM 79 ND1 HIS A 7 3.971 -12.492 0.088 1.00 0.00 N ATOM 80 CD2 HIS A 7 4.264 -10.423 0.774 1.00 0.00 C ATOM 81 CE1 HIS A 7 2.784 -11.905 0.141 1.00 0.00 C ATOM 82 NE2 HIS A 7 2.968 -10.622 0.567 1.00 0.00 N ATOM 0 H HIS A 7 5.939 -13.491 3.077 1.00 0.00 H new ATOM 0 HA HIS A 7 7.754 -12.776 1.913 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.960 -11.132 0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.577 -12.842 0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.715 -9.503 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.838 -12.362 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.231 -9.930 0.704 1.00 0.00 H new ATOM 90 N PRO A 8 8.522 -10.887 3.436 1.00 0.00 N ATOM 91 CA PRO A 8 9.188 -9.735 4.020 1.00 0.00 C ATOM 92 C PRO A 8 10.205 -9.136 3.047 1.00 0.00 C ATOM 93 O PRO A 8 10.845 -8.132 3.352 1.00 0.00 O ATOM 94 CB PRO A 8 9.825 -10.256 5.298 1.00 0.00 C ATOM 95 CG PRO A 8 9.888 -11.767 5.147 1.00 0.00 C ATOM 96 CD PRO A 8 8.995 -12.157 3.980 1.00 0.00 C ATOM 0 HA PRO A 8 8.500 -8.917 4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.821 -9.836 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.236 -9.975 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.913 -12.090 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.555 -12.256 6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.546 -12.727 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.164 -12.781 4.308 1.00 0.00 H new ATOM 104 N GLN A 9 10.320 -9.778 1.893 1.00 0.00 N ATOM 105 CA GLN A 9 11.248 -9.322 0.873 1.00 0.00 C ATOM 106 C GLN A 9 10.574 -9.334 -0.501 1.00 0.00 C ATOM 107 O GLN A 9 10.710 -8.385 -1.272 1.00 0.00 O ATOM 108 CB GLN A 9 12.519 -10.172 0.867 1.00 0.00 C ATOM 109 CG GLN A 9 13.474 -9.724 -0.241 1.00 0.00 C ATOM 110 CD GLN A 9 14.827 -9.301 0.337 1.00 0.00 C ATOM 111 OE1 GLN A 9 14.737 -8.429 1.336 1.00 0.00 O flip ATOM 112 NE2 GLN A 9 15.880 -9.738 -0.097 1.00 0.00 N flip ATOM 0 H GLN A 9 9.786 -10.610 1.643 1.00 0.00 H new ATOM 0 HA GLN A 9 11.538 -8.297 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.017 -10.095 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.258 -11.221 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.617 -10.537 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 9 13.034 -8.892 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 9 15.876 -10.406 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.765 -9.435 0.311 1.00 0.00 H new ATOM 121 N GLN A 10 9.863 -10.420 -0.766 1.00 0.00 N ATOM 122 CA GLN A 10 9.167 -10.568 -2.033 1.00 0.00 C ATOM 123 C GLN A 10 8.139 -9.450 -2.209 1.00 0.00 C ATOM 124 O GLN A 10 7.547 -9.309 -3.277 1.00 0.00 O ATOM 125 CB GLN A 10 8.505 -11.943 -2.137 1.00 0.00 C ATOM 126 CG GLN A 10 7.011 -11.811 -2.441 1.00 0.00 C ATOM 127 CD GLN A 10 6.773 -11.612 -3.939 1.00 0.00 C ATOM 128 OE1 GLN A 10 7.688 -11.609 -4.746 1.00 0.00 O ATOM 129 NE2 GLN A 10 5.493 -11.448 -4.265 1.00 0.00 N ATOM 0 H GLN A 10 9.754 -11.206 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 10 9.898 -10.491 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.989 -12.525 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.643 -12.489 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.487 -12.704 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.597 -10.968 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.776 -11.461 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.229 -11.309 -5.240 1.00 0.00 H new ATOM 138 N ALA A 11 7.957 -8.683 -1.143 1.00 0.00 N ATOM 139 CA ALA A 11 7.011 -7.582 -1.166 1.00 0.00 C ATOM 140 C ALA A 11 7.666 -6.365 -1.823 1.00 0.00 C ATOM 141 O ALA A 11 6.999 -5.590 -2.506 1.00 0.00 O ATOM 142 CB ALA A 11 6.533 -7.289 0.258 1.00 0.00 C ATOM 0 H ALA A 11 8.450 -8.803 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 11 6.133 -7.843 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.823 -6.462 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.049 -8.175 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.387 -7.021 0.880 1.00 0.00 H new ATOM 148 N PHE A 12 8.965 -6.236 -1.592 1.00 0.00 N ATOM 149 CA PHE A 12 9.717 -5.126 -2.153 1.00 0.00 C ATOM 150 C PHE A 12 10.322 -5.503 -3.506 1.00 0.00 C ATOM 151 O PHE A 12 11.079 -4.728 -4.089 1.00 0.00 O ATOM 152 CB PHE A 12 10.848 -4.812 -1.171 1.00 0.00 C ATOM 153 CG PHE A 12 10.367 -4.334 0.200 1.00 0.00 C ATOM 154 CD1 PHE A 12 9.432 -5.048 0.881 1.00 0.00 C ATOM 155 CD2 PHE A 12 10.875 -3.193 0.739 1.00 0.00 C ATOM 156 CE1 PHE A 12 8.985 -4.604 2.154 1.00 0.00 C ATOM 157 CE2 PHE A 12 10.429 -2.748 2.012 1.00 0.00 C ATOM 158 CZ PHE A 12 9.494 -3.464 2.692 1.00 0.00 C ATOM 0 H PHE A 12 9.515 -6.881 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 12 9.060 -4.269 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.459 -5.705 -1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.491 -4.047 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 12 9.029 -5.954 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.618 -2.625 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.242 -5.171 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.832 -1.842 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.155 -3.127 3.660 1.00 0.00 H new ATOM 168 N CYS A 13 9.966 -6.694 -3.967 1.00 0.00 N ATOM 169 CA CYS A 13 10.465 -7.182 -5.241 1.00 0.00 C ATOM 170 C CYS A 13 9.280 -7.318 -6.200 1.00 0.00 C ATOM 171 O CYS A 13 9.467 -7.562 -7.391 1.00 0.00 O ATOM 172 CB CYS A 13 11.225 -8.501 -5.083 1.00 0.00 C ATOM 173 SG CYS A 13 13.021 -8.319 -4.782 1.00 0.00 S ATOM 0 H CYS A 13 9.338 -7.334 -3.481 1.00 0.00 H new ATOM 0 HA CYS A 13 11.183 -6.471 -5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.787 -9.060 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 13 11.080 -9.098 -5.983 1.00 0.00 H new ATOM 0 HG CYS A 13 13.562 -9.495 -4.662 1.00 0.00 H new ATOM 178 N ASN A 14 8.089 -7.156 -5.645 1.00 0.00 N ATOM 179 CA ASN A 14 6.874 -7.256 -6.436 1.00 0.00 C ATOM 180 C ASN A 14 6.285 -5.859 -6.640 1.00 0.00 C ATOM 181 O ASN A 14 5.801 -5.538 -7.724 1.00 0.00 O ATOM 182 CB ASN A 14 5.824 -8.113 -5.725 1.00 0.00 C ATOM 183 CG ASN A 14 5.305 -9.220 -6.645 1.00 0.00 C ATOM 184 OD1 ASN A 14 6.015 -10.343 -6.593 1.00 0.00 O flip ATOM 185 ND2 ASN A 14 4.325 -9.064 -7.356 1.00 0.00 N flip ATOM 0 H ASN A 14 7.939 -6.956 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 14 7.130 -7.716 -7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.257 -8.554 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.994 -7.484 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.825 -8.175 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.006 -9.823 -7.959 1.00 0.00 H new ATOM 192 N ALA A 15 6.347 -5.065 -5.581 1.00 0.00 N ATOM 193 CA ALA A 15 5.826 -3.709 -5.631 1.00 0.00 C ATOM 194 C ALA A 15 6.442 -2.975 -6.823 1.00 0.00 C ATOM 195 O ALA A 15 7.355 -3.486 -7.469 1.00 0.00 O ATOM 196 CB ALA A 15 6.110 -3.005 -4.303 1.00 0.00 C ATOM 0 H ALA A 15 6.750 -5.334 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 15 4.745 -3.717 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.720 -1.988 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.627 -3.550 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.186 -2.975 -4.130 1.00 0.00 H new ATOM 202 N ASP A 16 5.915 -1.787 -7.081 1.00 0.00 N ATOM 203 CA ASP A 16 6.401 -0.977 -8.185 1.00 0.00 C ATOM 204 C ASP A 16 6.193 0.503 -7.856 1.00 0.00 C ATOM 205 O ASP A 16 6.256 1.354 -8.742 1.00 0.00 O ATOM 206 CB ASP A 16 5.637 -1.286 -9.474 1.00 0.00 C ATOM 207 CG ASP A 16 6.270 -2.361 -10.359 1.00 0.00 C ATOM 208 OD1 ASP A 16 6.530 -3.459 -9.820 1.00 0.00 O ATOM 209 OD2 ASP A 16 6.480 -2.061 -11.553 1.00 0.00 O ATOM 0 H ASP A 16 5.156 -1.366 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 16 7.457 -1.203 -8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.626 -1.600 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.545 -0.367 -10.053 1.00 0.00 H new ATOM 214 N VAL A 17 5.948 0.764 -6.580 1.00 0.00 N ATOM 215 CA VAL A 17 5.730 2.127 -6.123 1.00 0.00 C ATOM 216 C VAL A 17 5.821 2.168 -4.597 1.00 0.00 C ATOM 217 O VAL A 17 4.811 2.028 -3.908 1.00 0.00 O ATOM 218 CB VAL A 17 4.397 2.651 -6.659 1.00 0.00 C ATOM 219 CG1 VAL A 17 3.221 1.894 -6.038 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.265 4.157 -6.423 1.00 0.00 C ATOM 0 H VAL A 17 5.896 0.055 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 17 6.503 2.790 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 17 4.377 2.477 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.285 2.286 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.302 0.834 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.237 2.022 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.308 4.504 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.317 4.364 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.075 4.678 -6.933 1.00 0.00 H new ATOM 230 N VAL A 18 7.039 2.361 -4.113 1.00 0.00 N ATOM 231 CA VAL A 18 7.273 2.424 -2.679 1.00 0.00 C ATOM 232 C VAL A 18 7.381 3.887 -2.248 1.00 0.00 C ATOM 233 O VAL A 18 8.281 4.602 -2.685 1.00 0.00 O ATOM 234 CB VAL A 18 8.510 1.599 -2.316 1.00 0.00 C ATOM 235 CG1 VAL A 18 8.339 0.927 -0.953 1.00 0.00 C ATOM 236 CG2 VAL A 18 8.821 0.568 -3.402 1.00 0.00 C ATOM 0 H VAL A 18 7.874 2.476 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 18 6.436 1.987 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 18 9.359 2.280 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.232 0.347 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.190 1.689 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.473 0.265 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.704 -0.004 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.973 -0.107 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.008 1.079 -4.346 1.00 0.00 H new ATOM 246 N ILE A 19 6.450 4.289 -1.395 1.00 0.00 N ATOM 247 CA ILE A 19 6.430 5.654 -0.899 1.00 0.00 C ATOM 248 C ILE A 19 5.984 5.654 0.565 1.00 0.00 C ATOM 249 O ILE A 19 4.923 5.127 0.895 1.00 0.00 O ATOM 250 CB ILE A 19 5.570 6.540 -1.803 1.00 0.00 C ATOM 251 CG1 ILE A 19 4.083 6.240 -1.611 1.00 0.00 C ATOM 252 CG2 ILE A 19 5.997 6.407 -3.267 1.00 0.00 C ATOM 253 CD1 ILE A 19 3.289 6.566 -2.877 1.00 0.00 C ATOM 0 H ILE A 19 5.704 3.693 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 19 7.431 6.084 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 19 5.729 7.579 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.951 5.189 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.696 6.822 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.370 7.047 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.039 6.709 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.886 5.371 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.235 6.343 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.404 7.623 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.662 5.964 -3.706 1.00 0.00 H new ATOM 265 N ARG A 20 6.817 6.252 1.404 1.00 0.00 N ATOM 266 CA ARG A 20 6.522 6.328 2.825 1.00 0.00 C ATOM 267 C ARG A 20 5.481 7.417 3.094 1.00 0.00 C ATOM 268 O ARG A 20 5.586 8.151 4.075 1.00 0.00 O ATOM 269 CB ARG A 20 7.786 6.628 3.634 1.00 0.00 C ATOM 270 CG ARG A 20 8.943 5.727 3.198 1.00 0.00 C ATOM 271 CD ARG A 20 10.290 6.410 3.440 1.00 0.00 C ATOM 272 NE ARG A 20 10.260 7.148 4.722 1.00 0.00 N ATOM 273 CZ ARG A 20 11.350 7.444 5.444 1.00 0.00 C ATOM 274 NH1 ARG A 20 12.562 7.066 5.015 1.00 0.00 N ATOM 275 NH2 ARG A 20 11.228 8.118 6.596 1.00 0.00 N ATOM 0 H ARG A 20 7.696 6.689 1.127 1.00 0.00 H new ATOM 0 HA ARG A 20 6.127 5.360 3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.066 7.673 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.586 6.481 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.904 4.787 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.840 5.482 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.086 5.666 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.512 7.095 2.622 1.00 0.00 H new ATOM 0 HE ARG A 20 9.353 7.450 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.656 6.553 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.391 7.292 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.306 8.406 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.057 8.343 7.145 1.00 0.00 H new ATOM 289 N THR A 21 4.502 7.487 2.205 1.00 0.00 N ATOM 290 CA THR A 21 3.443 8.473 2.334 1.00 0.00 C ATOM 291 C THR A 21 2.676 8.266 3.642 1.00 0.00 C ATOM 292 O THR A 21 2.944 7.316 4.377 1.00 0.00 O ATOM 293 CB THR A 21 2.558 8.383 1.090 1.00 0.00 C ATOM 294 OG1 THR A 21 1.436 9.205 1.401 1.00 0.00 O ATOM 295 CG2 THR A 21 1.956 6.989 0.900 1.00 0.00 C ATOM 0 H THR A 21 4.420 6.877 1.392 1.00 0.00 H new ATOM 0 HA THR A 21 3.849 9.483 2.389 1.00 0.00 H new ATOM 0 HB THR A 21 3.142 8.650 0.209 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.305 9.864 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.337 6.979 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.757 6.258 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.344 6.736 1.766 1.00 0.00 H new ATOM 303 N LYS A 22 1.740 9.170 3.892 1.00 0.00 N ATOM 304 CA LYS A 22 0.933 9.096 5.098 1.00 0.00 C ATOM 305 C LYS A 22 -0.546 9.201 4.724 1.00 0.00 C ATOM 306 O LYS A 22 -0.972 10.195 4.137 1.00 0.00 O ATOM 307 CB LYS A 22 1.388 10.150 6.111 1.00 0.00 C ATOM 308 CG LYS A 22 1.140 11.563 5.581 1.00 0.00 C ATOM 309 CD LYS A 22 1.336 12.604 6.684 1.00 0.00 C ATOM 310 CE LYS A 22 0.663 12.160 7.985 1.00 0.00 C ATOM 311 NZ LYS A 22 0.402 13.326 8.858 1.00 0.00 N ATOM 0 H LYS A 22 1.523 9.957 3.280 1.00 0.00 H new ATOM 0 HA LYS A 22 1.070 8.133 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.853 10.011 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.449 10.019 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.821 11.770 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.127 11.634 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.401 12.760 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.922 13.560 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.273 11.649 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.300 11.444 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.270 13.003 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.209 13.980 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.457 13.815 8.536 1.00 0.00 H new ATOM 325 N ALA A 23 -1.289 8.164 5.078 1.00 0.00 N ATOM 326 CA ALA A 23 -2.712 8.127 4.787 1.00 0.00 C ATOM 327 C ALA A 23 -3.489 8.654 5.995 1.00 0.00 C ATOM 328 O ALA A 23 -3.592 7.976 7.016 1.00 0.00 O ATOM 329 CB ALA A 23 -3.119 6.701 4.409 1.00 0.00 C ATOM 0 H ALA A 23 -0.932 7.342 5.564 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.947 8.769 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.187 6.673 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.560 6.384 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.901 6.028 5.238 1.00 0.00 H new ATOM 335 N VAL A 24 -4.016 9.860 5.839 1.00 0.00 N ATOM 336 CA VAL A 24 -4.781 10.487 6.904 1.00 0.00 C ATOM 337 C VAL A 24 -6.256 10.543 6.501 1.00 0.00 C ATOM 338 O VAL A 24 -7.139 10.375 7.340 1.00 0.00 O ATOM 339 CB VAL A 24 -4.196 11.862 7.228 1.00 0.00 C ATOM 340 CG1 VAL A 24 -2.963 11.737 8.124 1.00 0.00 C ATOM 341 CG2 VAL A 24 -3.868 12.634 5.948 1.00 0.00 C ATOM 0 H VAL A 24 -3.928 10.420 4.991 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.717 9.898 7.819 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.951 12.426 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.567 12.730 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.240 11.247 9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.202 11.145 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.453 13.608 6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.140 12.074 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.777 12.770 5.362 1.00 0.00 H new ATOM 351 N SER A 25 -6.477 10.782 5.217 1.00 0.00 N ATOM 352 CA SER A 25 -7.830 10.863 4.692 1.00 0.00 C ATOM 353 C SER A 25 -8.100 9.685 3.755 1.00 0.00 C ATOM 354 O SER A 25 -7.181 8.948 3.398 1.00 0.00 O ATOM 355 CB SER A 25 -8.059 12.187 3.961 1.00 0.00 C ATOM 356 OG SER A 25 -9.041 12.067 2.935 1.00 0.00 O ATOM 0 H SER A 25 -5.742 10.922 4.524 1.00 0.00 H new ATOM 0 HA SER A 25 -8.525 10.818 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.373 12.947 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.120 12.528 3.526 1.00 0.00 H new ATOM 0 HG SER A 25 -9.160 12.934 2.493 1.00 0.00 H new ATOM 362 N GLU A 26 -9.363 9.543 3.382 1.00 0.00 N ATOM 363 CA GLU A 26 -9.765 8.467 2.492 1.00 0.00 C ATOM 364 C GLU A 26 -11.003 8.874 1.691 1.00 0.00 C ATOM 365 O GLU A 26 -11.466 10.010 1.793 1.00 0.00 O ATOM 366 CB GLU A 26 -10.017 7.175 3.273 1.00 0.00 C ATOM 367 CG GLU A 26 -8.702 6.462 3.593 1.00 0.00 C ATOM 368 CD GLU A 26 -8.356 6.591 5.078 1.00 0.00 C ATOM 369 OE1 GLU A 26 -7.710 7.604 5.424 1.00 0.00 O ATOM 370 OE2 GLU A 26 -8.745 5.675 5.833 1.00 0.00 O ATOM 0 H GLU A 26 -10.122 10.156 3.680 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.951 8.277 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.546 7.403 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.661 6.515 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.781 5.409 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.898 6.886 2.990 1.00 0.00 H new ATOM 377 N LYS A 27 -11.504 7.926 0.913 1.00 0.00 N ATOM 378 CA LYS A 27 -12.680 8.172 0.095 1.00 0.00 C ATOM 379 C LYS A 27 -13.458 6.866 -0.078 1.00 0.00 C ATOM 380 O LYS A 27 -12.966 5.924 -0.696 1.00 0.00 O ATOM 381 CB LYS A 27 -12.284 8.832 -1.228 1.00 0.00 C ATOM 382 CG LYS A 27 -13.520 9.171 -2.063 1.00 0.00 C ATOM 383 CD LYS A 27 -13.323 10.479 -2.829 1.00 0.00 C ATOM 384 CE LYS A 27 -12.006 10.466 -3.608 1.00 0.00 C ATOM 385 NZ LYS A 27 -11.989 11.548 -4.617 1.00 0.00 N ATOM 0 H LYS A 27 -11.117 6.986 0.832 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.347 8.878 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.715 9.740 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.632 8.164 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.722 8.362 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.391 9.254 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.155 10.630 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.329 11.317 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.169 10.589 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.877 9.501 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.088 11.524 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.776 11.414 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.091 12.467 -4.142 1.00 0.00 H new ATOM 399 N GLU A 28 -14.659 6.853 0.481 1.00 0.00 N ATOM 400 CA GLU A 28 -15.510 5.678 0.396 1.00 0.00 C ATOM 401 C GLU A 28 -16.080 5.537 -1.016 1.00 0.00 C ATOM 402 O GLU A 28 -17.132 6.096 -1.325 1.00 0.00 O ATOM 403 CB GLU A 28 -16.631 5.737 1.436 1.00 0.00 C ATOM 404 CG GLU A 28 -17.367 4.398 1.525 1.00 0.00 C ATOM 405 CD GLU A 28 -18.854 4.608 1.820 1.00 0.00 C ATOM 406 OE1 GLU A 28 -19.520 5.226 0.962 1.00 0.00 O ATOM 407 OE2 GLU A 28 -19.289 4.147 2.896 1.00 0.00 O ATOM 0 H GLU A 28 -15.063 7.637 0.994 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.904 4.798 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.215 5.993 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.335 6.526 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.252 3.853 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.920 3.785 2.308 1.00 0.00 H new ATOM 414 N VAL A 29 -15.361 4.785 -1.838 1.00 0.00 N ATOM 415 CA VAL A 29 -15.783 4.563 -3.211 1.00 0.00 C ATOM 416 C VAL A 29 -16.297 3.130 -3.356 1.00 0.00 C ATOM 417 O VAL A 29 -15.522 2.178 -3.279 1.00 0.00 O ATOM 418 CB VAL A 29 -14.635 4.887 -4.169 1.00 0.00 C ATOM 419 CG1 VAL A 29 -14.216 6.354 -4.047 1.00 0.00 C ATOM 420 CG2 VAL A 29 -13.445 3.955 -3.934 1.00 0.00 C ATOM 0 H VAL A 29 -14.490 4.322 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.604 5.230 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.992 4.724 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.399 6.558 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.064 6.996 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.887 6.555 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.643 4.207 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.089 4.071 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.754 2.922 -4.096 1.00 0.00 H new ATOM 430 N ASP A 30 -17.600 3.021 -3.565 1.00 0.00 N ATOM 431 CA ASP A 30 -18.228 1.719 -3.721 1.00 0.00 C ATOM 432 C ASP A 30 -17.708 1.059 -5.001 1.00 0.00 C ATOM 433 O ASP A 30 -17.346 1.746 -5.955 1.00 0.00 O ATOM 434 CB ASP A 30 -19.747 1.851 -3.841 1.00 0.00 C ATOM 435 CG ASP A 30 -20.351 3.053 -3.113 1.00 0.00 C ATOM 436 OD1 ASP A 30 -19.918 4.183 -3.426 1.00 0.00 O ATOM 437 OD2 ASP A 30 -21.234 2.815 -2.259 1.00 0.00 O ATOM 0 H ASP A 30 -18.239 3.813 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.987 1.120 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.009 1.916 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.207 0.942 -3.454 1.00 0.00 H new ATOM 442 N SER A 31 -17.689 -0.266 -4.979 1.00 0.00 N ATOM 443 CA SER A 31 -17.220 -1.026 -6.125 1.00 0.00 C ATOM 444 C SER A 31 -18.189 -2.171 -6.424 1.00 0.00 C ATOM 445 O SER A 31 -17.786 -3.208 -6.950 1.00 0.00 O ATOM 446 CB SER A 31 -15.810 -1.572 -5.885 1.00 0.00 C ATOM 447 OG SER A 31 -15.530 -2.703 -6.705 1.00 0.00 O ATOM 0 H SER A 31 -17.991 -0.832 -4.186 1.00 0.00 H new ATOM 0 HA SER A 31 -17.179 -0.358 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.079 -0.789 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.702 -1.849 -4.836 1.00 0.00 H new ATOM 0 HG SER A 31 -16.269 -2.843 -7.333 1.00 0.00 H new ATOM 453 N GLY A 32 -19.447 -1.946 -6.077 1.00 0.00 N ATOM 454 CA GLY A 32 -20.477 -2.947 -6.301 1.00 0.00 C ATOM 455 C GLY A 32 -20.275 -4.156 -5.386 1.00 0.00 C ATOM 456 O GLY A 32 -19.368 -4.166 -4.555 1.00 0.00 O ATOM 0 H GLY A 32 -19.777 -1.085 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.459 -2.510 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.457 -3.267 -7.343 1.00 0.00 H new ATOM 460 N ASN A 33 -21.136 -5.146 -5.569 1.00 0.00 N ATOM 461 CA ASN A 33 -21.064 -6.358 -4.769 1.00 0.00 C ATOM 462 C ASN A 33 -20.058 -7.322 -5.401 1.00 0.00 C ATOM 463 O ASN A 33 -19.656 -7.141 -6.550 1.00 0.00 O ATOM 464 CB ASN A 33 -22.421 -7.062 -4.713 1.00 0.00 C ATOM 465 CG ASN A 33 -23.563 -6.046 -4.659 1.00 0.00 C ATOM 466 OD1 ASN A 33 -24.283 -5.832 -5.621 1.00 0.00 O ATOM 467 ND2 ASN A 33 -23.690 -5.434 -3.485 1.00 0.00 N ATOM 0 H ASN A 33 -21.887 -5.134 -6.259 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.760 -6.079 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -22.539 -7.702 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -22.463 -7.709 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -24.424 -4.739 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -23.054 -5.660 -2.721 1.00 0.00 H new ATOM 474 N ASP A 34 -19.679 -8.326 -4.623 1.00 0.00 N ATOM 475 CA ASP A 34 -18.727 -9.318 -5.093 1.00 0.00 C ATOM 476 C ASP A 34 -19.486 -10.542 -5.608 1.00 0.00 C ATOM 477 O ASP A 34 -20.682 -10.464 -5.887 1.00 0.00 O ATOM 478 CB ASP A 34 -17.805 -9.776 -3.960 1.00 0.00 C ATOM 479 CG ASP A 34 -16.403 -10.201 -4.400 1.00 0.00 C ATOM 480 OD1 ASP A 34 -15.794 -9.433 -5.176 1.00 0.00 O ATOM 481 OD2 ASP A 34 -15.972 -11.285 -3.952 1.00 0.00 O ATOM 0 H ASP A 34 -20.014 -8.473 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.129 -8.865 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.713 -8.966 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.277 -10.612 -3.443 1.00 0.00 H new ATOM 486 N ILE A 35 -18.761 -11.645 -5.721 1.00 0.00 N ATOM 487 CA ILE A 35 -19.351 -12.884 -6.198 1.00 0.00 C ATOM 488 C ILE A 35 -20.106 -13.559 -5.051 1.00 0.00 C ATOM 489 O ILE A 35 -20.688 -14.628 -5.231 1.00 0.00 O ATOM 490 CB ILE A 35 -18.284 -13.773 -6.840 1.00 0.00 C ATOM 491 CG1 ILE A 35 -17.550 -13.029 -7.958 1.00 0.00 C ATOM 492 CG2 ILE A 35 -18.890 -15.090 -7.330 1.00 0.00 C ATOM 493 CD1 ILE A 35 -16.649 -11.932 -7.387 1.00 0.00 C ATOM 0 H ILE A 35 -17.769 -11.706 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 35 -20.079 -12.682 -6.984 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.544 -14.022 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.951 -13.733 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.274 -12.589 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.110 -15.703 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -19.329 -15.624 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -19.663 -14.882 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.139 -11.419 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.255 -11.217 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.910 -12.378 -6.721 1.00 0.00 H new ATOM 505 N TYR A 36 -20.071 -12.908 -3.898 1.00 0.00 N ATOM 506 CA TYR A 36 -20.745 -13.432 -2.722 1.00 0.00 C ATOM 507 C TYR A 36 -21.992 -12.610 -2.392 1.00 0.00 C ATOM 508 O TYR A 36 -22.704 -12.913 -1.436 1.00 0.00 O ATOM 509 CB TYR A 36 -19.744 -13.305 -1.571 1.00 0.00 C ATOM 510 CG TYR A 36 -19.891 -14.385 -0.497 1.00 0.00 C ATOM 511 CD1 TYR A 36 -19.846 -15.719 -0.849 1.00 0.00 C ATOM 512 CD2 TYR A 36 -20.069 -14.024 0.823 1.00 0.00 C ATOM 513 CE1 TYR A 36 -19.984 -16.735 0.163 1.00 0.00 C ATOM 514 CE2 TYR A 36 -20.207 -15.040 1.834 1.00 0.00 C ATOM 515 CZ TYR A 36 -20.158 -16.345 1.455 1.00 0.00 C ATOM 516 OH TYR A 36 -20.288 -17.304 2.410 1.00 0.00 O ATOM 0 H TYR A 36 -19.586 -12.022 -3.753 1.00 0.00 H new ATOM 0 HA TYR A 36 -21.062 -14.461 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -18.733 -13.345 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -19.863 -12.326 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.707 -16.001 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -20.105 -12.980 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.950 -17.782 -0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -20.346 -14.771 2.871 1.00 0.00 H new ATOM 0 HH TYR A 36 -20.405 -16.880 3.286 1.00 0.00 H new ATOM 526 N GLY A 37 -22.217 -11.586 -3.201 1.00 0.00 N ATOM 527 CA GLY A 37 -23.365 -10.716 -3.007 1.00 0.00 C ATOM 528 C GLY A 37 -23.034 -9.578 -2.039 1.00 0.00 C ATOM 529 O GLY A 37 -23.829 -8.656 -1.863 1.00 0.00 O ATOM 0 H GLY A 37 -21.624 -11.339 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -23.679 -10.303 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -24.203 -11.295 -2.620 1.00 0.00 H new ATOM 533 N ASN A 38 -21.858 -9.678 -1.438 1.00 0.00 N ATOM 534 CA ASN A 38 -21.411 -8.668 -0.493 1.00 0.00 C ATOM 535 C ASN A 38 -20.901 -7.447 -1.262 1.00 0.00 C ATOM 536 O ASN A 38 -20.433 -7.573 -2.392 1.00 0.00 O ATOM 537 CB ASN A 38 -20.265 -9.194 0.373 1.00 0.00 C ATOM 538 CG ASN A 38 -19.243 -9.957 -0.471 1.00 0.00 C ATOM 539 OD1 ASN A 38 -19.458 -10.250 -1.636 1.00 0.00 O ATOM 540 ND2 ASN A 38 -18.123 -10.261 0.178 1.00 0.00 N ATOM 0 H ASN A 38 -21.200 -10.443 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 38 -22.255 -8.406 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.775 -8.362 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -20.662 -9.849 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.379 -10.770 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -18.008 -9.985 1.153 1.00 0.00 H new ATOM 547 N PRO A 39 -21.013 -6.265 -0.600 1.00 0.00 N ATOM 548 CA PRO A 39 -20.569 -5.022 -1.209 1.00 0.00 C ATOM 549 C PRO A 39 -19.042 -4.922 -1.201 1.00 0.00 C ATOM 550 O PRO A 39 -18.410 -5.098 -0.160 1.00 0.00 O ATOM 551 CB PRO A 39 -21.239 -3.925 -0.398 1.00 0.00 C ATOM 552 CG PRO A 39 -21.658 -4.572 0.912 1.00 0.00 C ATOM 553 CD PRO A 39 -21.562 -6.079 0.740 1.00 0.00 C ATOM 0 HA PRO A 39 -20.845 -4.947 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.554 -3.095 -0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -22.102 -3.520 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -21.013 -4.239 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -22.676 -4.282 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -20.917 -6.524 1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -22.539 -6.552 0.837 1.00 0.00 H new ATOM 561 N ILE A 40 -18.493 -4.643 -2.373 1.00 0.00 N ATOM 562 CA ILE A 40 -17.052 -4.517 -2.515 1.00 0.00 C ATOM 563 C ILE A 40 -16.572 -3.290 -1.738 1.00 0.00 C ATOM 564 O ILE A 40 -16.228 -3.391 -0.561 1.00 0.00 O ATOM 565 CB ILE A 40 -16.658 -4.502 -3.993 1.00 0.00 C ATOM 566 CG1 ILE A 40 -17.029 -5.822 -4.673 1.00 0.00 C ATOM 567 CG2 ILE A 40 -15.175 -4.167 -4.162 1.00 0.00 C ATOM 568 CD1 ILE A 40 -16.525 -5.855 -6.118 1.00 0.00 C ATOM 0 H ILE A 40 -19.020 -4.500 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 40 -16.550 -5.383 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.224 -3.714 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.601 -6.655 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -18.111 -5.951 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -14.921 -4.163 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -14.973 -3.184 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.572 -4.915 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.802 -6.803 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.974 -5.035 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.440 -5.750 -6.127 1.00 0.00 H new ATOM 580 N LYS A 41 -16.564 -2.159 -2.428 1.00 0.00 N ATOM 581 CA LYS A 41 -16.132 -0.913 -1.817 1.00 0.00 C ATOM 582 C LYS A 41 -14.611 -0.936 -1.642 1.00 0.00 C ATOM 583 O LYS A 41 -14.065 -1.865 -1.048 1.00 0.00 O ATOM 584 CB LYS A 41 -16.897 -0.660 -0.516 1.00 0.00 C ATOM 585 CG LYS A 41 -16.756 0.797 -0.072 1.00 0.00 C ATOM 586 CD LYS A 41 -17.718 1.115 1.075 1.00 0.00 C ATOM 587 CE LYS A 41 -19.162 1.184 0.576 1.00 0.00 C ATOM 588 NZ LYS A 41 -19.385 2.426 -0.197 1.00 0.00 N ATOM 0 H LYS A 41 -16.850 -2.079 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.366 -0.069 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.951 -0.901 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.521 -1.320 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.731 0.987 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.957 1.459 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.633 0.351 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.442 2.065 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.379 0.317 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.848 1.148 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.064 2.241 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.764 3.163 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.484 2.748 -0.604 1.00 0.00 H new ATOM 602 N ARG A 42 -13.972 0.097 -2.170 1.00 0.00 N ATOM 603 CA ARG A 42 -12.525 0.207 -2.081 1.00 0.00 C ATOM 604 C ARG A 42 -12.126 1.621 -1.654 1.00 0.00 C ATOM 605 O ARG A 42 -11.620 2.397 -2.463 1.00 0.00 O ATOM 606 CB ARG A 42 -11.863 -0.120 -3.421 1.00 0.00 C ATOM 607 CG ARG A 42 -12.871 -0.026 -4.567 1.00 0.00 C ATOM 608 CD ARG A 42 -12.266 -0.545 -5.874 1.00 0.00 C ATOM 609 NE ARG A 42 -12.946 0.082 -7.030 1.00 0.00 N ATOM 610 CZ ARG A 42 -12.742 -0.275 -8.305 1.00 0.00 C ATOM 611 NH1 ARG A 42 -11.877 -1.256 -8.595 1.00 0.00 N ATOM 612 NH2 ARG A 42 -13.402 0.349 -9.290 1.00 0.00 N ATOM 0 H ARG A 42 -14.429 0.865 -2.661 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.183 -0.512 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.037 0.569 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.439 -1.124 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.762 -0.603 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.187 1.009 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.199 -0.323 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.367 -1.629 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.611 0.833 -6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.374 -1.731 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.721 -1.528 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.060 1.096 -9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.246 0.077 -10.261 1.00 0.00 H new ATOM 626 N ILE A 43 -12.369 1.913 -0.385 1.00 0.00 N ATOM 627 CA ILE A 43 -12.042 3.219 0.159 1.00 0.00 C ATOM 628 C ILE A 43 -10.700 3.682 -0.412 1.00 0.00 C ATOM 629 O ILE A 43 -9.828 2.864 -0.700 1.00 0.00 O ATOM 630 CB ILE A 43 -12.081 3.189 1.689 1.00 0.00 C ATOM 631 CG1 ILE A 43 -13.049 4.242 2.233 1.00 0.00 C ATOM 632 CG2 ILE A 43 -10.678 3.342 2.276 1.00 0.00 C ATOM 633 CD1 ILE A 43 -14.404 3.618 2.571 1.00 0.00 C ATOM 0 H ILE A 43 -12.789 1.266 0.283 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.789 3.954 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.456 2.215 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.625 4.705 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.183 5.034 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.734 3.317 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.046 2.525 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.251 4.293 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.073 4.388 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.836 3.177 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.270 2.844 3.326 1.00 0.00 H new ATOM 645 N GLN A 44 -10.577 4.994 -0.559 1.00 0.00 N ATOM 646 CA GLN A 44 -9.355 5.575 -1.091 1.00 0.00 C ATOM 647 C GLN A 44 -8.350 5.821 0.036 1.00 0.00 C ATOM 648 O GLN A 44 -8.610 5.481 1.190 1.00 0.00 O ATOM 649 CB GLN A 44 -9.651 6.868 -1.853 1.00 0.00 C ATOM 650 CG GLN A 44 -10.486 6.588 -3.105 1.00 0.00 C ATOM 651 CD GLN A 44 -9.997 5.326 -3.818 1.00 0.00 C ATOM 652 OE1 GLN A 44 -10.518 4.199 -3.341 1.00 0.00 O flip ATOM 653 NE2 GLN A 44 -9.201 5.372 -4.740 1.00 0.00 N flip ATOM 0 H GLN A 44 -11.302 5.670 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 44 -8.916 4.868 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.184 7.563 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.715 7.350 -2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.534 6.471 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.428 7.439 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.840 6.271 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.896 4.511 -5.194 1.00 0.00 H new ATOM 662 N TYR A 45 -7.224 6.411 -0.337 1.00 0.00 N ATOM 663 CA TYR A 45 -6.179 6.707 0.628 1.00 0.00 C ATOM 664 C TYR A 45 -5.603 8.106 0.402 1.00 0.00 C ATOM 665 O TYR A 45 -4.453 8.248 -0.009 1.00 0.00 O ATOM 666 CB TYR A 45 -5.079 5.670 0.389 1.00 0.00 C ATOM 667 CG TYR A 45 -5.095 4.505 1.381 1.00 0.00 C ATOM 668 CD1 TYR A 45 -5.498 4.714 2.684 1.00 0.00 C ATOM 669 CD2 TYR A 45 -4.705 3.246 0.973 1.00 0.00 C ATOM 670 CE1 TYR A 45 -5.513 3.618 3.618 1.00 0.00 C ATOM 671 CE2 TYR A 45 -4.720 2.150 1.907 1.00 0.00 C ATOM 672 CZ TYR A 45 -5.123 2.390 3.183 1.00 0.00 C ATOM 673 OH TYR A 45 -5.137 1.354 4.065 1.00 0.00 O ATOM 0 H TYR A 45 -7.012 6.692 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.573 6.672 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.180 5.274 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.109 6.165 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.802 5.700 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.389 3.083 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.827 3.768 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.418 1.159 1.601 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.495 0.671 3.778 1.00 0.00 H new ATOM 683 N GLU A 46 -6.430 9.103 0.680 1.00 0.00 N ATOM 684 CA GLU A 46 -6.017 10.486 0.511 1.00 0.00 C ATOM 685 C GLU A 46 -4.847 10.808 1.443 1.00 0.00 C ATOM 686 O GLU A 46 -5.006 11.554 2.409 1.00 0.00 O ATOM 687 CB GLU A 46 -7.188 11.440 0.750 1.00 0.00 C ATOM 688 CG GLU A 46 -7.055 12.698 -0.111 1.00 0.00 C ATOM 689 CD GLU A 46 -8.247 13.635 0.098 1.00 0.00 C ATOM 690 OE1 GLU A 46 -9.374 13.105 0.201 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.003 14.860 0.150 1.00 0.00 O ATOM 0 H GLU A 46 -7.384 8.981 1.021 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.684 10.623 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.126 10.935 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.226 11.718 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.131 13.218 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.988 12.418 -1.162 1.00 0.00 H new ATOM 698 N ILE A 47 -3.699 10.231 1.122 1.00 0.00 N ATOM 699 CA ILE A 47 -2.503 10.447 1.919 1.00 0.00 C ATOM 700 C ILE A 47 -2.079 11.913 1.806 1.00 0.00 C ATOM 701 O ILE A 47 -2.796 12.727 1.228 1.00 0.00 O ATOM 702 CB ILE A 47 -1.408 9.456 1.521 1.00 0.00 C ATOM 703 CG1 ILE A 47 -0.995 9.652 0.061 1.00 0.00 C ATOM 704 CG2 ILE A 47 -1.840 8.017 1.806 1.00 0.00 C ATOM 705 CD1 ILE A 47 -0.260 8.420 -0.472 1.00 0.00 C ATOM 0 H ILE A 47 -3.571 9.614 0.320 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.706 10.254 2.972 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.529 9.655 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.879 9.844 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.352 10.528 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.043 7.333 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.044 7.902 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.741 7.788 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.022 8.586 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.636 8.245 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.914 7.550 -0.408 1.00 0.00 H new ATOM 717 N LYS A 48 -0.914 12.202 2.367 1.00 0.00 N ATOM 718 CA LYS A 48 -0.385 13.556 2.336 1.00 0.00 C ATOM 719 C LYS A 48 1.030 13.533 1.753 1.00 0.00 C ATOM 720 O LYS A 48 1.682 14.570 1.657 1.00 0.00 O ATOM 721 CB LYS A 48 -0.468 14.195 3.724 1.00 0.00 C ATOM 722 CG LYS A 48 -0.668 15.709 3.619 1.00 0.00 C ATOM 723 CD LYS A 48 -1.086 16.301 4.966 1.00 0.00 C ATOM 724 CE LYS A 48 -0.416 15.560 6.124 1.00 0.00 C ATOM 725 NZ LYS A 48 -0.651 16.271 7.400 1.00 0.00 N ATOM 0 H LYS A 48 -0.322 11.523 2.845 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.989 14.186 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.293 13.753 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.444 13.983 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.256 16.179 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.429 15.928 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.818 17.357 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.169 16.244 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.808 14.545 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.655 15.477 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.189 15.754 8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.256 17.231 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.673 16.328 7.582 1.00 0.00 H new ATOM 739 N GLN A 49 1.462 12.337 1.380 1.00 0.00 N ATOM 740 CA GLN A 49 2.787 12.165 0.811 1.00 0.00 C ATOM 741 C GLN A 49 3.850 12.725 1.758 1.00 0.00 C ATOM 742 O GLN A 49 3.791 13.892 2.140 1.00 0.00 O ATOM 743 CB GLN A 49 2.880 12.822 -0.568 1.00 0.00 C ATOM 744 CG GLN A 49 4.304 13.308 -0.848 1.00 0.00 C ATOM 745 CD GLN A 49 4.656 13.150 -2.329 1.00 0.00 C ATOM 746 OE1 GLN A 49 4.761 14.110 -3.075 1.00 0.00 O ATOM 747 NE2 GLN A 49 4.832 11.888 -2.711 1.00 0.00 N ATOM 0 H GLN A 49 0.918 11.478 1.461 1.00 0.00 H new ATOM 0 HA GLN A 49 2.970 11.098 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.577 12.110 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.188 13.662 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.399 14.354 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.011 12.743 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.729 11.131 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.070 11.677 -3.680 1.00 0.00 H new ATOM 756 N ILE A 50 4.795 11.866 2.110 1.00 0.00 N ATOM 757 CA ILE A 50 5.869 12.260 3.006 1.00 0.00 C ATOM 758 C ILE A 50 7.208 11.817 2.415 1.00 0.00 C ATOM 759 O ILE A 50 8.234 12.456 2.643 1.00 0.00 O ATOM 760 CB ILE A 50 5.613 11.728 4.416 1.00 0.00 C ATOM 761 CG1 ILE A 50 6.690 10.722 4.827 1.00 0.00 C ATOM 762 CG2 ILE A 50 4.205 11.139 4.533 1.00 0.00 C ATOM 763 CD1 ILE A 50 6.251 9.917 6.052 1.00 0.00 C ATOM 0 H ILE A 50 4.839 10.898 1.791 1.00 0.00 H new ATOM 0 HA ILE A 50 5.906 13.345 3.102 1.00 0.00 H new ATOM 0 HB ILE A 50 5.671 12.565 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.896 10.045 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.619 11.248 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.049 10.768 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.468 11.911 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.094 10.318 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.035 9.210 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.070 10.594 6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.335 9.373 5.821 1.00 0.00 H new ATOM 775 N LYS A 51 7.156 10.724 1.666 1.00 0.00 N ATOM 776 CA LYS A 51 8.354 10.187 1.042 1.00 0.00 C ATOM 777 C LYS A 51 7.961 9.406 -0.214 1.00 0.00 C ATOM 778 O LYS A 51 6.783 9.126 -0.432 1.00 0.00 O ATOM 779 CB LYS A 51 9.163 9.368 2.049 1.00 0.00 C ATOM 780 CG LYS A 51 10.612 9.854 2.113 1.00 0.00 C ATOM 781 CD LYS A 51 11.235 9.545 3.476 1.00 0.00 C ATOM 782 CE LYS A 51 12.133 10.693 3.941 1.00 0.00 C ATOM 783 NZ LYS A 51 12.928 10.284 5.120 1.00 0.00 N ATOM 0 H LYS A 51 6.304 10.196 1.478 1.00 0.00 H new ATOM 0 HA LYS A 51 9.013 10.995 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.706 9.444 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.141 8.315 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.195 9.375 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.648 10.928 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.447 9.375 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.817 8.625 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.799 10.992 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.523 11.562 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.671 10.989 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.307 10.217 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.366 9.358 4.939 1.00 0.00 H new ATOM 797 N MET A 52 8.971 9.074 -1.005 1.00 0.00 N ATOM 798 CA MET A 52 8.746 8.330 -2.233 1.00 0.00 C ATOM 799 C MET A 52 9.908 7.375 -2.515 1.00 0.00 C ATOM 800 O MET A 52 10.620 7.535 -3.505 1.00 0.00 O ATOM 801 CB MET A 52 8.590 9.305 -3.401 1.00 0.00 C ATOM 802 CG MET A 52 9.816 10.212 -3.524 1.00 0.00 C ATOM 803 SD MET A 52 10.101 10.623 -5.238 1.00 0.00 S ATOM 804 CE MET A 52 11.811 11.131 -5.154 1.00 0.00 C ATOM 0 H MET A 52 9.947 9.306 -0.820 1.00 0.00 H new ATOM 0 HA MET A 52 7.836 7.741 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.450 8.749 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.697 9.912 -3.256 1.00 0.00 H new ATOM 0 HG2 MET A 52 9.665 11.122 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.692 9.712 -3.111 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.153 11.423 -6.147 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.906 11.977 -4.474 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.419 10.303 -4.790 1.00 0.00 H new ATOM 814 N PHE A 53 10.063 6.404 -1.629 1.00 0.00 N ATOM 815 CA PHE A 53 11.127 5.424 -1.770 1.00 0.00 C ATOM 816 C PHE A 53 11.368 5.087 -3.243 1.00 0.00 C ATOM 817 O PHE A 53 12.305 5.599 -3.855 1.00 0.00 O ATOM 818 CB PHE A 53 10.670 4.160 -1.038 1.00 0.00 C ATOM 819 CG PHE A 53 11.260 4.007 0.365 1.00 0.00 C ATOM 820 CD1 PHE A 53 12.583 4.241 0.575 1.00 0.00 C ATOM 821 CD2 PHE A 53 10.462 3.635 1.401 1.00 0.00 C ATOM 822 CE1 PHE A 53 13.131 4.097 1.878 1.00 0.00 C ATOM 823 CE2 PHE A 53 11.009 3.492 2.704 1.00 0.00 C ATOM 824 CZ PHE A 53 12.332 3.726 2.914 1.00 0.00 C ATOM 0 H PHE A 53 9.469 6.274 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 53 12.055 5.819 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.582 4.168 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.943 3.289 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 53 13.217 4.536 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.412 3.448 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.182 4.282 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.375 3.198 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.749 3.617 3.904 1.00 0.00 H new ATOM 834 N LYS A 54 10.508 4.227 -3.769 1.00 0.00 N ATOM 835 CA LYS A 54 10.617 3.816 -5.159 1.00 0.00 C ATOM 836 C LYS A 54 9.267 4.012 -5.852 1.00 0.00 C ATOM 837 O LYS A 54 8.618 3.043 -6.241 1.00 0.00 O ATOM 838 CB LYS A 54 11.155 2.387 -5.254 1.00 0.00 C ATOM 839 CG LYS A 54 11.244 1.931 -6.712 1.00 0.00 C ATOM 840 CD LYS A 54 12.496 2.494 -7.388 1.00 0.00 C ATOM 841 CE LYS A 54 12.124 3.486 -8.490 1.00 0.00 C ATOM 842 NZ LYS A 54 13.329 4.196 -8.976 1.00 0.00 N ATOM 0 H LYS A 54 9.733 3.804 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 54 11.339 4.440 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.141 2.334 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.505 1.712 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.262 0.842 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.356 2.257 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.124 2.988 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.083 1.679 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.647 2.959 -9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.399 4.206 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.059 4.866 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.768 4.715 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.008 3.507 -9.357 1.00 0.00 H new ATOM 856 N GLY A 55 8.884 5.273 -5.984 1.00 0.00 N ATOM 857 CA GLY A 55 7.623 5.610 -6.623 1.00 0.00 C ATOM 858 C GLY A 55 7.842 6.559 -7.804 1.00 0.00 C ATOM 859 O GLY A 55 8.935 6.615 -8.364 1.00 0.00 O ATOM 0 H GLY A 55 9.425 6.074 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.132 4.700 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.956 6.075 -5.897 1.00 0.00 H new ATOM 863 N PRO A 56 6.758 7.299 -8.154 1.00 0.00 N ATOM 864 CA PRO A 56 6.820 8.243 -9.257 1.00 0.00 C ATOM 865 C PRO A 56 7.593 9.501 -8.860 1.00 0.00 C ATOM 866 O PRO A 56 8.113 9.590 -7.748 1.00 0.00 O ATOM 867 CB PRO A 56 5.370 8.526 -9.616 1.00 0.00 C ATOM 868 CG PRO A 56 4.550 8.097 -8.410 1.00 0.00 C ATOM 869 CD PRO A 56 5.446 7.259 -7.512 1.00 0.00 C ATOM 0 HA PRO A 56 7.360 7.848 -10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.221 9.584 -9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.073 7.973 -10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.178 8.969 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.680 7.521 -8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.487 7.667 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.077 6.237 -7.428 1.00 0.00 H new ATOM 877 N GLU A 57 7.646 10.444 -9.790 1.00 0.00 N ATOM 878 CA GLU A 57 8.348 11.693 -9.550 1.00 0.00 C ATOM 879 C GLU A 57 7.397 12.729 -8.946 1.00 0.00 C ATOM 880 O GLU A 57 7.813 13.569 -8.150 1.00 0.00 O ATOM 881 CB GLU A 57 8.987 12.219 -10.837 1.00 0.00 C ATOM 882 CG GLU A 57 9.321 11.072 -11.792 1.00 0.00 C ATOM 883 CD GLU A 57 10.244 11.546 -12.916 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.729 12.240 -13.819 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.443 11.202 -12.848 1.00 0.00 O ATOM 0 H GLU A 57 7.214 10.368 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 57 9.150 11.505 -8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.307 12.917 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.895 12.773 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.799 10.263 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.402 10.669 -12.217 1.00 0.00 H new ATOM 892 N LYS A 58 6.139 12.635 -9.349 1.00 0.00 N ATOM 893 CA LYS A 58 5.125 13.553 -8.859 1.00 0.00 C ATOM 894 C LYS A 58 4.675 13.112 -7.465 1.00 0.00 C ATOM 895 O LYS A 58 5.109 13.675 -6.461 1.00 0.00 O ATOM 896 CB LYS A 58 3.979 13.674 -9.866 1.00 0.00 C ATOM 897 CG LYS A 58 3.350 15.068 -9.816 1.00 0.00 C ATOM 898 CD LYS A 58 3.733 15.885 -11.052 1.00 0.00 C ATOM 899 CE LYS A 58 5.041 16.646 -10.821 1.00 0.00 C ATOM 900 NZ LYS A 58 4.862 18.085 -11.116 1.00 0.00 N ATOM 0 H LYS A 58 5.798 11.937 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 58 5.537 14.557 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.351 13.475 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.221 12.921 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.265 14.980 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.678 15.587 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.840 15.223 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.935 16.589 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.366 16.518 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.826 16.233 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.759 18.587 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.573 18.203 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.128 18.478 -10.493 1.00 0.00 H new ATOM 914 N ASP A 59 3.811 12.107 -7.447 1.00 0.00 N ATOM 915 CA ASP A 59 3.298 11.584 -6.192 1.00 0.00 C ATOM 916 C ASP A 59 1.901 11.003 -6.421 1.00 0.00 C ATOM 917 O ASP A 59 1.317 11.184 -7.487 1.00 0.00 O ATOM 918 CB ASP A 59 3.185 12.689 -5.140 1.00 0.00 C ATOM 919 CG ASP A 59 2.319 12.341 -3.928 1.00 0.00 C ATOM 920 OD1 ASP A 59 2.519 11.231 -3.386 1.00 0.00 O ATOM 921 OD2 ASP A 59 1.476 13.191 -3.570 1.00 0.00 O ATOM 0 H ASP A 59 3.454 11.641 -8.281 1.00 0.00 H new ATOM 0 HA ASP A 59 3.988 10.819 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.186 12.942 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.778 13.582 -5.615 1.00 0.00 H new ATOM 926 N ILE A 60 1.406 10.318 -5.400 1.00 0.00 N ATOM 927 CA ILE A 60 0.089 9.709 -5.476 1.00 0.00 C ATOM 928 C ILE A 60 -0.911 10.570 -4.702 1.00 0.00 C ATOM 929 O ILE A 60 -1.757 11.234 -5.300 1.00 0.00 O ATOM 930 CB ILE A 60 0.143 8.254 -5.004 1.00 0.00 C ATOM 931 CG1 ILE A 60 1.516 7.638 -5.280 1.00 0.00 C ATOM 932 CG2 ILE A 60 -0.989 7.434 -5.625 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.683 7.316 -6.767 1.00 0.00 C ATOM 0 H ILE A 60 1.893 10.171 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.255 9.672 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.004 8.240 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.298 8.328 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.636 6.728 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.928 6.404 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.949 7.860 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.898 7.452 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.667 6.879 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.914 6.608 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.587 8.232 -7.351 1.00 0.00 H new ATOM 945 N GLU A 61 -0.781 10.531 -3.384 1.00 0.00 N ATOM 946 CA GLU A 61 -1.663 11.300 -2.522 1.00 0.00 C ATOM 947 C GLU A 61 -3.053 10.661 -2.480 1.00 0.00 C ATOM 948 O GLU A 61 -3.915 11.090 -1.714 1.00 0.00 O ATOM 949 CB GLU A 61 -1.745 12.757 -2.981 1.00 0.00 C ATOM 950 CG GLU A 61 -1.115 13.692 -1.946 1.00 0.00 C ATOM 951 CD GLU A 61 -1.918 14.988 -1.818 1.00 0.00 C ATOM 952 OE1 GLU A 61 -2.863 14.992 -0.999 1.00 0.00 O ATOM 953 OE2 GLU A 61 -1.570 15.946 -2.543 1.00 0.00 O ATOM 0 H GLU A 61 -0.078 9.979 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.249 11.293 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.235 12.870 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.787 13.034 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.069 13.191 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.090 13.922 -2.235 1.00 0.00 H new ATOM 960 N PHE A 62 -3.228 9.645 -3.312 1.00 0.00 N ATOM 961 CA PHE A 62 -4.498 8.942 -3.379 1.00 0.00 C ATOM 962 C PHE A 62 -4.292 7.470 -3.742 1.00 0.00 C ATOM 963 O PHE A 62 -4.102 7.136 -4.911 1.00 0.00 O ATOM 964 CB PHE A 62 -5.325 9.615 -4.476 1.00 0.00 C ATOM 965 CG PHE A 62 -6.530 10.401 -3.954 1.00 0.00 C ATOM 966 CD1 PHE A 62 -7.514 9.759 -3.269 1.00 0.00 C ATOM 967 CD2 PHE A 62 -6.617 11.740 -4.175 1.00 0.00 C ATOM 968 CE1 PHE A 62 -8.633 10.488 -2.785 1.00 0.00 C ATOM 969 CE2 PHE A 62 -7.734 12.468 -3.691 1.00 0.00 C ATOM 970 CZ PHE A 62 -8.720 11.827 -3.005 1.00 0.00 C ATOM 0 H PHE A 62 -2.511 9.292 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.997 8.983 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.681 10.290 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.675 8.853 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.445 8.696 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.835 12.249 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.415 9.978 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.802 13.531 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.570 12.381 -2.636 1.00 0.00 H new ATOM 980 N ILE A 63 -4.337 6.629 -2.720 1.00 0.00 N ATOM 981 CA ILE A 63 -4.158 5.201 -2.917 1.00 0.00 C ATOM 982 C ILE A 63 -5.503 4.493 -2.740 1.00 0.00 C ATOM 983 O ILE A 63 -6.488 5.114 -2.343 1.00 0.00 O ATOM 984 CB ILE A 63 -3.057 4.667 -1.999 1.00 0.00 C ATOM 985 CG1 ILE A 63 -2.025 5.754 -1.690 1.00 0.00 C ATOM 986 CG2 ILE A 63 -2.410 3.413 -2.591 1.00 0.00 C ATOM 987 CD1 ILE A 63 -0.751 5.549 -2.512 1.00 0.00 C ATOM 0 H ILE A 63 -4.495 6.909 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.821 4.997 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.512 4.378 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.448 6.735 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.783 5.739 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.631 3.054 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.166 2.638 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.971 3.653 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.034 6.335 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.317 4.578 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.993 5.589 -3.574 1.00 0.00 H new ATOM 999 N TYR A 64 -5.501 3.203 -3.044 1.00 0.00 N ATOM 1000 CA TYR A 64 -6.709 2.405 -2.924 1.00 0.00 C ATOM 1001 C TYR A 64 -6.514 1.260 -1.929 1.00 0.00 C ATOM 1002 O TYR A 64 -5.386 0.835 -1.681 1.00 0.00 O ATOM 1003 CB TYR A 64 -6.967 1.818 -4.314 1.00 0.00 C ATOM 1004 CG TYR A 64 -7.588 2.807 -5.302 1.00 0.00 C ATOM 1005 CD1 TYR A 64 -6.902 3.951 -5.655 1.00 0.00 C ATOM 1006 CD2 TYR A 64 -8.833 2.556 -5.840 1.00 0.00 C ATOM 1007 CE1 TYR A 64 -7.486 4.883 -6.585 1.00 0.00 C ATOM 1008 CE2 TYR A 64 -9.417 3.487 -6.771 1.00 0.00 C ATOM 1009 CZ TYR A 64 -8.714 4.604 -7.097 1.00 0.00 C ATOM 1010 OH TYR A 64 -9.266 5.484 -7.976 1.00 0.00 O ATOM 0 H TYR A 64 -4.682 2.691 -3.373 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.538 3.016 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.025 1.454 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.626 0.956 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.927 4.148 -5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.370 1.661 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.960 5.783 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.391 3.302 -7.200 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.144 5.155 -8.260 1.00 0.00 H new ATOM 1020 N THR A 65 -7.627 0.793 -1.385 1.00 0.00 N ATOM 1021 CA THR A 65 -7.592 -0.294 -0.422 1.00 0.00 C ATOM 1022 C THR A 65 -9.012 -0.693 -0.015 1.00 0.00 C ATOM 1023 O THR A 65 -9.982 -0.288 -0.655 1.00 0.00 O ATOM 1024 CB THR A 65 -6.723 0.147 0.757 1.00 0.00 C ATOM 1025 OG1 THR A 65 -6.776 -0.956 1.658 1.00 0.00 O ATOM 1026 CG2 THR A 65 -7.346 1.302 1.544 1.00 0.00 C ATOM 0 H THR A 65 -8.560 1.148 -1.593 1.00 0.00 H new ATOM 0 HA THR A 65 -7.148 -1.191 -0.854 1.00 0.00 H new ATOM 0 HB THR A 65 -5.740 0.445 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.188 -0.782 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.689 1.576 2.369 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.479 2.161 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.314 0.993 1.938 1.00 0.00 H new ATOM 1034 N ALA A 66 -9.089 -1.481 1.047 1.00 0.00 N ATOM 1035 CA ALA A 66 -10.375 -1.939 1.547 1.00 0.00 C ATOM 1036 C ALA A 66 -10.906 -0.934 2.572 1.00 0.00 C ATOM 1037 O ALA A 66 -10.130 -0.312 3.296 1.00 0.00 O ATOM 1038 CB ALA A 66 -10.224 -3.344 2.133 1.00 0.00 C ATOM 0 H ALA A 66 -8.283 -1.814 1.575 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.102 -2.000 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.188 -3.687 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.872 -4.025 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.504 -3.322 2.951 1.00 0.00 H new ATOM 1044 N PRO A 67 -12.259 -0.802 2.600 1.00 0.00 N ATOM 1045 CA PRO A 67 -12.903 0.116 3.523 1.00 0.00 C ATOM 1046 C PRO A 67 -12.892 -0.441 4.948 1.00 0.00 C ATOM 1047 O PRO A 67 -12.402 0.209 5.869 1.00 0.00 O ATOM 1048 CB PRO A 67 -14.305 0.310 2.972 1.00 0.00 C ATOM 1049 CG PRO A 67 -14.548 -0.858 2.030 1.00 0.00 C ATOM 1050 CD PRO A 67 -13.209 -1.523 1.756 1.00 0.00 C ATOM 0 HA PRO A 67 -12.383 1.071 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.042 0.324 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.390 1.261 2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.243 -1.569 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.999 -0.511 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.235 -2.584 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.938 -1.450 0.703 1.00 0.00 H new ATOM 1058 N SER A 68 -13.439 -1.641 5.083 1.00 0.00 N ATOM 1059 CA SER A 68 -13.499 -2.293 6.381 1.00 0.00 C ATOM 1060 C SER A 68 -12.136 -2.215 7.069 1.00 0.00 C ATOM 1061 O SER A 68 -11.232 -1.530 6.591 1.00 0.00 O ATOM 1062 CB SER A 68 -13.942 -3.752 6.244 1.00 0.00 C ATOM 1063 OG SER A 68 -15.318 -3.925 6.574 1.00 0.00 O ATOM 0 H SER A 68 -13.844 -2.178 4.316 1.00 0.00 H new ATOM 0 HA SER A 68 -14.237 -1.773 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.769 -4.089 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.332 -4.379 6.894 1.00 0.00 H new ATOM 0 HG SER A 68 -15.563 -4.869 6.473 1.00 0.00 H new ATOM 1069 N SER A 69 -12.028 -2.928 8.182 1.00 0.00 N ATOM 1070 CA SER A 69 -10.789 -2.947 8.941 1.00 0.00 C ATOM 1071 C SER A 69 -9.692 -3.644 8.133 1.00 0.00 C ATOM 1072 O SER A 69 -9.099 -4.618 8.595 1.00 0.00 O ATOM 1073 CB SER A 69 -10.980 -3.646 10.289 1.00 0.00 C ATOM 1074 OG SER A 69 -11.385 -5.002 10.134 1.00 0.00 O ATOM 0 H SER A 69 -12.778 -3.496 8.576 1.00 0.00 H new ATOM 0 HA SER A 69 -10.490 -1.917 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.048 -3.608 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.727 -3.109 10.873 1.00 0.00 H new ATOM 0 HG SER A 69 -10.707 -5.489 9.620 1.00 0.00 H new ATOM 1080 N ALA A 70 -9.454 -3.116 6.941 1.00 0.00 N ATOM 1081 CA ALA A 70 -8.438 -3.675 6.066 1.00 0.00 C ATOM 1082 C ALA A 70 -8.763 -5.144 5.787 1.00 0.00 C ATOM 1083 O ALA A 70 -8.368 -6.026 6.547 1.00 0.00 O ATOM 1084 CB ALA A 70 -7.058 -3.494 6.703 1.00 0.00 C ATOM 0 H ALA A 70 -9.947 -2.308 6.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.426 -3.152 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.296 -3.914 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.863 -2.432 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.031 -4.007 7.664 1.00 0.00 H new ATOM 1090 N VAL A 71 -9.479 -5.361 4.694 1.00 0.00 N ATOM 1091 CA VAL A 71 -9.862 -6.707 4.304 1.00 0.00 C ATOM 1092 C VAL A 71 -9.041 -7.135 3.087 1.00 0.00 C ATOM 1093 O VAL A 71 -8.809 -8.325 2.877 1.00 0.00 O ATOM 1094 CB VAL A 71 -11.371 -6.773 4.060 1.00 0.00 C ATOM 1095 CG1 VAL A 71 -12.085 -5.596 4.726 1.00 0.00 C ATOM 1096 CG2 VAL A 71 -11.682 -6.828 2.563 1.00 0.00 C ATOM 0 H VAL A 71 -9.804 -4.626 4.066 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.645 -7.412 5.106 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.745 -7.691 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.156 -5.666 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.903 -5.621 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.705 -4.660 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.761 -6.874 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.288 -5.936 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.219 -7.713 2.127 1.00 0.00 H new ATOM 1106 N CYS A 72 -8.621 -6.142 2.318 1.00 0.00 N ATOM 1107 CA CYS A 72 -7.830 -6.400 1.126 1.00 0.00 C ATOM 1108 C CYS A 72 -6.656 -5.419 1.107 1.00 0.00 C ATOM 1109 O CYS A 72 -5.971 -5.285 0.094 1.00 0.00 O ATOM 1110 CB CYS A 72 -8.675 -6.303 -0.146 1.00 0.00 C ATOM 1111 SG CYS A 72 -10.287 -7.167 -0.065 1.00 0.00 S ATOM 0 H CYS A 72 -8.813 -5.156 2.497 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.449 -7.421 1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.853 -5.251 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.101 -6.711 -0.978 1.00 0.00 H new ATOM 0 HG CYS A 72 -10.133 -8.318 0.519 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.460 -4.758 2.239 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.381 -3.794 2.364 1.00 0.00 C ATOM 1118 C GLY A 73 -4.849 -3.751 3.799 1.00 0.00 C ATOM 1119 O GLY A 73 -4.932 -4.740 4.526 1.00 0.00 O ATOM 0 H GLY A 73 -7.030 -4.871 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.573 -4.056 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.736 -2.805 2.074 1.00 0.00 H new ATOM 1123 N VAL A 74 -4.315 -2.594 4.164 1.00 0.00 N ATOM 1124 CA VAL A 74 -3.771 -2.409 5.497 1.00 0.00 C ATOM 1125 C VAL A 74 -4.630 -1.398 6.259 1.00 0.00 C ATOM 1126 O VAL A 74 -4.475 -1.233 7.468 1.00 0.00 O ATOM 1127 CB VAL A 74 -2.299 -1.996 5.409 1.00 0.00 C ATOM 1128 CG1 VAL A 74 -1.744 -1.649 6.792 1.00 0.00 C ATOM 1129 CG2 VAL A 74 -1.463 -3.089 4.740 1.00 0.00 C ATOM 0 H VAL A 74 -4.248 -1.776 3.559 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.800 -3.345 6.054 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.237 -1.101 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.697 -1.359 6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.314 -0.822 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.825 -2.518 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.422 -2.771 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.534 -4.008 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.837 -3.267 3.732 1.00 0.00 H new ATOM 1139 N SER A 75 -5.517 -0.748 5.520 1.00 0.00 N ATOM 1140 CA SER A 75 -6.401 0.242 6.110 1.00 0.00 C ATOM 1141 C SER A 75 -5.617 1.138 7.071 1.00 0.00 C ATOM 1142 O SER A 75 -5.605 0.899 8.278 1.00 0.00 O ATOM 1143 CB SER A 75 -7.567 -0.427 6.841 1.00 0.00 C ATOM 1144 OG SER A 75 -7.204 -0.850 8.153 1.00 0.00 O ATOM 0 H SER A 75 -5.642 -0.888 4.517 1.00 0.00 H new ATOM 0 HA SER A 75 -6.813 0.854 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.403 0.270 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.910 -1.286 6.265 1.00 0.00 H new ATOM 0 HG SER A 75 -6.261 -0.639 8.316 1.00 0.00 H new ATOM 1150 N LEU A 76 -4.980 2.149 6.500 1.00 0.00 N ATOM 1151 CA LEU A 76 -4.194 3.081 7.291 1.00 0.00 C ATOM 1152 C LEU A 76 -4.922 4.426 7.356 1.00 0.00 C ATOM 1153 O LEU A 76 -5.395 4.931 6.340 1.00 0.00 O ATOM 1154 CB LEU A 76 -2.769 3.179 6.745 1.00 0.00 C ATOM 1155 CG LEU A 76 -2.293 1.997 5.897 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -2.419 2.308 4.404 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -0.870 1.588 6.278 1.00 0.00 C ATOM 0 H LEU A 76 -4.992 2.344 5.499 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.093 2.722 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.693 4.085 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.086 3.295 7.586 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.940 1.145 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.074 1.452 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.462 2.514 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.811 3.179 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.556 0.746 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.194 2.428 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.844 1.298 7.328 1.00 0.00 H new ATOM 1169 N ASP A 77 -4.988 4.969 8.564 1.00 0.00 N ATOM 1170 CA ASP A 77 -5.649 6.245 8.776 1.00 0.00 C ATOM 1171 C ASP A 77 -4.649 7.242 9.365 1.00 0.00 C ATOM 1172 O ASP A 77 -4.993 8.394 9.623 1.00 0.00 O ATOM 1173 CB ASP A 77 -6.812 6.106 9.759 1.00 0.00 C ATOM 1174 CG ASP A 77 -6.656 4.987 10.791 1.00 0.00 C ATOM 1175 OD1 ASP A 77 -5.997 5.250 11.819 1.00 0.00 O ATOM 1176 OD2 ASP A 77 -7.202 3.893 10.527 1.00 0.00 O ATOM 0 H ASP A 77 -4.594 4.548 9.405 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.028 6.591 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.937 7.052 10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.728 5.933 9.193 1.00 0.00 H new ATOM 1181 N VAL A 78 -3.429 6.761 9.560 1.00 0.00 N ATOM 1182 CA VAL A 78 -2.376 7.595 10.113 1.00 0.00 C ATOM 1183 C VAL A 78 -2.648 7.833 11.600 1.00 0.00 C ATOM 1184 O VAL A 78 -1.803 7.540 12.444 1.00 0.00 O ATOM 1185 CB VAL A 78 -2.260 8.894 9.312 1.00 0.00 C ATOM 1186 CG1 VAL A 78 -1.942 10.077 10.227 1.00 0.00 C ATOM 1187 CG2 VAL A 78 -1.215 8.762 8.202 1.00 0.00 C ATOM 0 H VAL A 78 -3.147 5.805 9.345 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.412 7.093 10.034 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.225 9.085 8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.865 10.987 9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.737 10.191 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.997 9.897 10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.152 9.699 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.244 8.535 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.503 7.958 7.524 1.00 0.00 H new ATOM 1197 N GLY A 79 -3.831 8.364 11.874 1.00 0.00 N ATOM 1198 CA GLY A 79 -4.225 8.644 13.244 1.00 0.00 C ATOM 1199 C GLY A 79 -4.091 7.396 14.121 1.00 0.00 C ATOM 1200 O GLY A 79 -4.204 7.477 15.343 1.00 0.00 O ATOM 0 H GLY A 79 -4.529 8.607 11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.605 9.445 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.256 8.998 13.264 1.00 0.00 H new ATOM 1204 N GLY A 80 -3.851 6.272 13.461 1.00 0.00 N ATOM 1205 CA GLY A 80 -3.700 5.010 14.164 1.00 0.00 C ATOM 1206 C GLY A 80 -2.313 4.411 13.922 1.00 0.00 C ATOM 1207 O GLY A 80 -1.792 3.684 14.767 1.00 0.00 O ATOM 0 H GLY A 80 -3.758 6.210 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.852 5.164 15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.466 4.310 13.831 1.00 0.00 H new ATOM 1211 N LYS A 81 -1.755 4.737 12.765 1.00 0.00 N ATOM 1212 CA LYS A 81 -0.440 4.241 12.402 1.00 0.00 C ATOM 1213 C LYS A 81 0.537 5.415 12.308 1.00 0.00 C ATOM 1214 O LYS A 81 1.110 5.832 13.312 1.00 0.00 O ATOM 1215 CB LYS A 81 -0.518 3.402 11.124 1.00 0.00 C ATOM 1216 CG LYS A 81 -1.928 3.433 10.534 1.00 0.00 C ATOM 1217 CD LYS A 81 -2.900 2.615 11.389 1.00 0.00 C ATOM 1218 CE LYS A 81 -4.305 3.218 11.349 1.00 0.00 C ATOM 1219 NZ LYS A 81 -5.174 2.448 10.429 1.00 0.00 N ATOM 0 H LYS A 81 -2.191 5.339 12.067 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.060 3.571 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.195 3.781 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.234 2.373 11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.276 4.464 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.910 3.037 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.931 1.587 11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.544 2.581 12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.736 3.218 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.252 4.257 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.776 3.103 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.584 1.899 9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.774 1.800 10.979 1.00 0.00 H new ATOM 1233 N LYS A 82 0.695 5.915 11.091 1.00 0.00 N ATOM 1234 CA LYS A 82 1.592 7.033 10.853 1.00 0.00 C ATOM 1235 C LYS A 82 1.831 7.177 9.348 1.00 0.00 C ATOM 1236 O LYS A 82 1.146 7.947 8.678 1.00 0.00 O ATOM 1237 CB LYS A 82 2.877 6.872 11.667 1.00 0.00 C ATOM 1238 CG LYS A 82 3.406 5.439 11.581 1.00 0.00 C ATOM 1239 CD LYS A 82 3.574 4.832 12.975 1.00 0.00 C ATOM 1240 CE LYS A 82 2.689 3.596 13.147 1.00 0.00 C ATOM 1241 NZ LYS A 82 3.426 2.524 13.852 1.00 0.00 N ATOM 0 H LYS A 82 0.217 5.567 10.260 1.00 0.00 H new ATOM 0 HA LYS A 82 1.140 7.964 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.634 7.565 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.687 7.131 12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.719 4.829 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.363 5.432 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.618 4.561 13.134 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.319 5.574 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.793 3.859 13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.360 3.238 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.770 1.754 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.178 2.156 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.848 2.907 14.722 1.00 0.00 H new ATOM 1255 N GLU A 83 2.806 6.423 8.862 1.00 0.00 N ATOM 1256 CA GLU A 83 3.144 6.457 7.450 1.00 0.00 C ATOM 1257 C GLU A 83 3.608 5.077 6.981 1.00 0.00 C ATOM 1258 O GLU A 83 4.109 4.284 7.777 1.00 0.00 O ATOM 1259 CB GLU A 83 4.209 7.519 7.166 1.00 0.00 C ATOM 1260 CG GLU A 83 4.113 8.674 8.165 1.00 0.00 C ATOM 1261 CD GLU A 83 4.867 8.347 9.456 1.00 0.00 C ATOM 1262 OE1 GLU A 83 5.174 7.151 9.646 1.00 0.00 O ATOM 1263 OE2 GLU A 83 5.120 9.302 10.222 1.00 0.00 O ATOM 0 H GLU A 83 3.372 5.785 9.421 1.00 0.00 H new ATOM 0 HA GLU A 83 2.249 6.728 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.200 7.069 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.087 7.900 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.524 9.580 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.066 8.877 8.392 1.00 0.00 H new ATOM 1270 N TYR A 84 3.425 4.833 5.692 1.00 0.00 N ATOM 1271 CA TYR A 84 3.818 3.561 5.108 1.00 0.00 C ATOM 1272 C TYR A 84 4.507 3.768 3.757 1.00 0.00 C ATOM 1273 O TYR A 84 4.253 4.757 3.072 1.00 0.00 O ATOM 1274 CB TYR A 84 2.522 2.778 4.891 1.00 0.00 C ATOM 1275 CG TYR A 84 1.468 3.532 4.077 1.00 0.00 C ATOM 1276 CD1 TYR A 84 1.734 3.896 2.773 1.00 0.00 C ATOM 1277 CD2 TYR A 84 0.251 3.846 4.647 1.00 0.00 C ATOM 1278 CE1 TYR A 84 0.742 4.605 2.007 1.00 0.00 C ATOM 1279 CE2 TYR A 84 -0.740 4.556 3.882 1.00 0.00 C ATOM 1280 CZ TYR A 84 -0.446 4.900 2.599 1.00 0.00 C ATOM 1281 OH TYR A 84 -1.384 5.570 1.876 1.00 0.00 O ATOM 0 H TYR A 84 3.010 5.494 5.035 1.00 0.00 H new ATOM 0 HA TYR A 84 4.518 3.039 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.756 1.842 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.099 2.519 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.686 3.649 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.042 3.559 5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.937 4.896 0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.695 4.810 4.317 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.243 5.102 1.941 1.00 0.00 H new ATOM 1291 N LEU A 85 5.366 2.820 3.415 1.00 0.00 N ATOM 1292 CA LEU A 85 6.093 2.885 2.159 1.00 0.00 C ATOM 1293 C LEU A 85 5.211 2.340 1.035 1.00 0.00 C ATOM 1294 O LEU A 85 5.649 2.240 -0.110 1.00 0.00 O ATOM 1295 CB LEU A 85 7.442 2.172 2.284 1.00 0.00 C ATOM 1296 CG LEU A 85 7.391 0.720 2.761 1.00 0.00 C ATOM 1297 CD1 LEU A 85 7.524 0.637 4.283 1.00 0.00 C ATOM 1298 CD2 LEU A 85 6.127 0.020 2.256 1.00 0.00 C ATOM 0 H LEU A 85 5.575 2.001 3.987 1.00 0.00 H new ATOM 0 HA LEU A 85 6.327 3.919 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.935 2.197 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.067 2.739 2.974 1.00 0.00 H new ATOM 0 HG LEU A 85 8.243 0.191 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.485 -0.407 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.475 1.072 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.707 1.187 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.116 -1.011 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.247 0.542 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.116 0.030 1.166 1.00 0.00 H new ATOM 1310 N ILE A 86 3.984 1.999 1.401 1.00 0.00 N ATOM 1311 CA ILE A 86 3.035 1.466 0.438 1.00 0.00 C ATOM 1312 C ILE A 86 3.764 1.160 -0.873 1.00 0.00 C ATOM 1313 O ILE A 86 4.071 2.068 -1.644 1.00 0.00 O ATOM 1314 CB ILE A 86 1.847 2.416 0.273 1.00 0.00 C ATOM 1315 CG1 ILE A 86 0.595 1.850 0.944 1.00 0.00 C ATOM 1316 CG2 ILE A 86 1.608 2.745 -1.203 1.00 0.00 C ATOM 1317 CD1 ILE A 86 0.909 1.345 2.354 1.00 0.00 C ATOM 0 H ILE A 86 3.625 2.082 2.352 1.00 0.00 H new ATOM 0 HA ILE A 86 2.614 0.527 0.797 1.00 0.00 H new ATOM 0 HB ILE A 86 2.086 3.353 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.175 2.620 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.193 1.034 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.758 3.422 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.496 3.221 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.399 1.826 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.002 0.948 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.662 0.559 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.288 2.168 2.959 1.00 0.00 H new ATOM 1329 N ALA A 87 4.019 -0.122 -1.084 1.00 0.00 N ATOM 1330 CA ALA A 87 4.707 -0.560 -2.288 1.00 0.00 C ATOM 1331 C ALA A 87 3.905 -1.683 -2.949 1.00 0.00 C ATOM 1332 O ALA A 87 3.851 -2.798 -2.433 1.00 0.00 O ATOM 1333 CB ALA A 87 6.131 -0.991 -1.934 1.00 0.00 C ATOM 0 H ALA A 87 3.762 -0.872 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 87 4.783 0.257 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.647 -1.319 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.667 -0.150 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.095 -1.812 -1.218 1.00 0.00 H new ATOM 1339 N GLY A 88 3.300 -1.349 -4.079 1.00 0.00 N ATOM 1340 CA GLY A 88 2.504 -2.315 -4.815 1.00 0.00 C ATOM 1341 C GLY A 88 2.639 -2.102 -6.324 1.00 0.00 C ATOM 1342 O GLY A 88 3.300 -1.163 -6.765 1.00 0.00 O ATOM 0 H GLY A 88 3.345 -0.422 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.822 -3.325 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.457 -2.226 -4.524 1.00 0.00 H new ATOM 1346 N LYS A 89 2.005 -2.990 -7.075 1.00 0.00 N ATOM 1347 CA LYS A 89 2.046 -2.911 -8.525 1.00 0.00 C ATOM 1348 C LYS A 89 1.846 -1.457 -8.958 1.00 0.00 C ATOM 1349 O LYS A 89 2.478 -0.997 -9.908 1.00 0.00 O ATOM 1350 CB LYS A 89 1.038 -3.881 -9.144 1.00 0.00 C ATOM 1351 CG LYS A 89 -0.379 -3.590 -8.646 1.00 0.00 C ATOM 1352 CD LYS A 89 -1.079 -4.876 -8.201 1.00 0.00 C ATOM 1353 CE LYS A 89 -2.130 -4.585 -7.128 1.00 0.00 C ATOM 1354 NZ LYS A 89 -3.493 -4.783 -7.670 1.00 0.00 N ATOM 0 H LYS A 89 1.459 -3.769 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 89 3.022 -3.223 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.069 -3.800 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.312 -4.906 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.339 -2.887 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.956 -3.113 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.553 -5.352 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.343 -5.579 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.974 -5.240 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.020 -3.561 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.194 -4.581 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.644 -4.140 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.600 -5.767 -7.989 1.00 0.00 H new ATOM 1368 N ALA A 90 0.965 -0.775 -8.242 1.00 0.00 N ATOM 1369 CA ALA A 90 0.674 0.617 -8.540 1.00 0.00 C ATOM 1370 C ALA A 90 -0.378 0.687 -9.648 1.00 0.00 C ATOM 1371 O ALA A 90 -0.772 -0.339 -10.200 1.00 0.00 O ATOM 1372 CB ALA A 90 1.969 1.339 -8.917 1.00 0.00 C ATOM 0 H ALA A 90 0.443 -1.161 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 90 0.264 1.120 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.751 2.383 -9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.671 1.285 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.408 0.864 -9.794 1.00 0.00 H new ATOM 1378 N GLU A 91 -0.802 1.908 -9.942 1.00 0.00 N ATOM 1379 CA GLU A 91 -1.800 2.126 -10.974 1.00 0.00 C ATOM 1380 C GLU A 91 -1.387 3.291 -11.874 1.00 0.00 C ATOM 1381 O GLU A 91 -2.161 3.729 -12.724 1.00 0.00 O ATOM 1382 CB GLU A 91 -3.179 2.370 -10.360 1.00 0.00 C ATOM 1383 CG GLU A 91 -4.290 1.894 -11.299 1.00 0.00 C ATOM 1384 CD GLU A 91 -4.099 0.423 -11.673 1.00 0.00 C ATOM 1385 OE1 GLU A 91 -3.811 -0.366 -10.748 1.00 0.00 O ATOM 1386 OE2 GLU A 91 -4.244 0.120 -12.878 1.00 0.00 O ATOM 0 H GLU A 91 -0.472 2.757 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.865 1.226 -11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.254 1.846 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.305 3.432 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.259 2.028 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.295 2.505 -12.202 1.00 0.00 H new ATOM 1393 N GLY A 92 -0.167 3.761 -11.658 1.00 0.00 N ATOM 1394 CA GLY A 92 0.358 4.868 -12.440 1.00 0.00 C ATOM 1395 C GLY A 92 0.856 5.994 -11.530 1.00 0.00 C ATOM 1396 O GLY A 92 1.730 5.779 -10.692 1.00 0.00 O ATOM 0 H GLY A 92 0.473 3.396 -10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.175 4.517 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.418 5.249 -13.105 1.00 0.00 H new ATOM 1400 N ASP A 93 0.277 7.169 -11.727 1.00 0.00 N ATOM 1401 CA ASP A 93 0.651 8.329 -10.935 1.00 0.00 C ATOM 1402 C ASP A 93 -0.612 8.991 -10.381 1.00 0.00 C ATOM 1403 O ASP A 93 -1.649 9.011 -11.043 1.00 0.00 O ATOM 1404 CB ASP A 93 1.392 9.362 -11.787 1.00 0.00 C ATOM 1405 CG ASP A 93 2.874 9.066 -12.018 1.00 0.00 C ATOM 1406 OD1 ASP A 93 3.170 7.912 -12.399 1.00 0.00 O ATOM 1407 OD2 ASP A 93 3.680 9.999 -11.810 1.00 0.00 O ATOM 0 H ASP A 93 -0.448 7.343 -12.423 1.00 0.00 H new ATOM 0 HA ASP A 93 1.303 7.992 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.896 9.435 -12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.302 10.337 -11.308 1.00 0.00 H new ATOM 1412 N GLY A 94 -0.483 9.518 -9.173 1.00 0.00 N ATOM 1413 CA GLY A 94 -1.601 10.179 -8.521 1.00 0.00 C ATOM 1414 C GLY A 94 -2.582 9.158 -7.944 1.00 0.00 C ATOM 1415 O GLY A 94 -3.558 9.528 -7.292 1.00 0.00 O ATOM 0 H GLY A 94 0.379 9.501 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.232 10.824 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.117 10.820 -9.236 1.00 0.00 H new ATOM 1419 N LYS A 95 -2.290 7.892 -8.203 1.00 0.00 N ATOM 1420 CA LYS A 95 -3.133 6.813 -7.716 1.00 0.00 C ATOM 1421 C LYS A 95 -2.484 5.470 -8.055 1.00 0.00 C ATOM 1422 O LYS A 95 -1.852 5.329 -9.101 1.00 0.00 O ATOM 1423 CB LYS A 95 -4.557 6.962 -8.257 1.00 0.00 C ATOM 1424 CG LYS A 95 -4.657 6.434 -9.689 1.00 0.00 C ATOM 1425 CD LYS A 95 -4.044 7.423 -10.682 1.00 0.00 C ATOM 1426 CE LYS A 95 -3.162 6.700 -11.702 1.00 0.00 C ATOM 1427 NZ LYS A 95 -3.459 7.174 -13.073 1.00 0.00 N ATOM 0 H LYS A 95 -1.480 7.589 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.221 6.859 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.252 6.419 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.852 8.011 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.145 5.474 -9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.702 6.258 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.837 7.963 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.452 8.164 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.111 6.874 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.329 5.625 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.852 6.673 -13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.457 6.986 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.277 8.196 -13.134 1.00 0.00 H new ATOM 1441 N MET A 96 -2.661 4.518 -7.151 1.00 0.00 N ATOM 1442 CA MET A 96 -2.100 3.191 -7.341 1.00 0.00 C ATOM 1443 C MET A 96 -2.991 2.123 -6.704 1.00 0.00 C ATOM 1444 O MET A 96 -4.117 2.408 -6.302 1.00 0.00 O ATOM 1445 CB MET A 96 -0.705 3.133 -6.715 1.00 0.00 C ATOM 1446 CG MET A 96 -0.605 4.066 -5.507 1.00 0.00 C ATOM 1447 SD MET A 96 0.162 3.214 -4.139 1.00 0.00 S ATOM 1448 CE MET A 96 1.631 4.209 -3.941 1.00 0.00 C ATOM 0 H MET A 96 -3.185 4.639 -6.284 1.00 0.00 H new ATOM 0 HA MET A 96 -2.036 2.993 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 96 -0.483 2.111 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 96 0.042 3.413 -7.458 1.00 0.00 H new ATOM 0 HG2 MET A 96 -0.023 4.950 -5.767 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.598 4.411 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 96 2.475 3.566 -3.693 1.00 0.00 H new ATOM 0 HE2 MET A 96 1.840 4.739 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 96 1.476 4.931 -3.139 1.00 0.00 H new ATOM 1458 N HIS A 97 -2.450 0.915 -6.630 1.00 0.00 N ATOM 1459 CA HIS A 97 -3.182 -0.197 -6.048 1.00 0.00 C ATOM 1460 C HIS A 97 -2.330 -0.863 -4.967 1.00 0.00 C ATOM 1461 O HIS A 97 -1.165 -1.183 -5.199 1.00 0.00 O ATOM 1462 CB HIS A 97 -3.634 -1.177 -7.133 1.00 0.00 C ATOM 1463 CG HIS A 97 -5.042 -0.942 -7.625 1.00 0.00 C ATOM 1464 ND1 HIS A 97 -5.462 -1.297 -8.895 1.00 0.00 N ATOM 1465 CD2 HIS A 97 -6.122 -0.383 -7.006 1.00 0.00 C ATOM 1466 CE1 HIS A 97 -6.737 -0.963 -9.023 1.00 0.00 C ATOM 1467 NE2 HIS A 97 -7.145 -0.397 -7.851 1.00 0.00 N ATOM 0 H HIS A 97 -1.514 0.683 -6.963 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.090 0.171 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.949 -1.109 -7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.561 -2.193 -6.744 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.887 -1.741 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.141 0.005 -5.998 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.347 -1.113 -9.902 1.00 0.00 H new ATOM 1475 N ILE A 98 -2.942 -1.051 -3.807 1.00 0.00 N ATOM 1476 CA ILE A 98 -2.254 -1.672 -2.689 1.00 0.00 C ATOM 1477 C ILE A 98 -3.232 -2.573 -1.931 1.00 0.00 C ATOM 1478 O ILE A 98 -4.389 -2.208 -1.730 1.00 0.00 O ATOM 1479 CB ILE A 98 -1.589 -0.610 -1.811 1.00 0.00 C ATOM 1480 CG1 ILE A 98 -2.638 0.270 -1.127 1.00 0.00 C ATOM 1481 CG2 ILE A 98 -0.585 0.216 -2.617 1.00 0.00 C ATOM 1482 CD1 ILE A 98 -1.977 1.439 -0.394 1.00 0.00 C ATOM 0 H ILE A 98 -3.908 -0.784 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.444 -2.308 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.031 -1.117 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.339 0.651 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.215 -0.327 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.126 0.964 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.188 -0.440 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.100 0.714 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.744 2.049 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.295 1.054 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.421 2.048 -1.107 1.00 0.00 H new ATOM 1494 N THR A 99 -2.729 -3.732 -1.530 1.00 0.00 N ATOM 1495 CA THR A 99 -3.544 -4.687 -0.798 1.00 0.00 C ATOM 1496 C THR A 99 -2.734 -5.323 0.333 1.00 0.00 C ATOM 1497 O THR A 99 -1.505 -5.270 0.327 1.00 0.00 O ATOM 1498 CB THR A 99 -4.092 -5.705 -1.800 1.00 0.00 C ATOM 1499 OG1 THR A 99 -3.148 -5.687 -2.866 1.00 0.00 O ATOM 1500 CG2 THR A 99 -5.398 -5.244 -2.450 1.00 0.00 C ATOM 0 H THR A 99 -1.768 -4.031 -1.698 1.00 0.00 H new ATOM 0 HA THR A 99 -4.389 -4.197 -0.314 1.00 0.00 H new ATOM 0 HB THR A 99 -4.255 -6.658 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.879 -6.605 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.743 -6.003 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.154 -5.092 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.229 -4.308 -2.982 1.00 0.00 H new ATOM 1508 N LEU A 100 -3.455 -5.910 1.277 1.00 0.00 N ATOM 1509 CA LEU A 100 -2.818 -6.554 2.413 1.00 0.00 C ATOM 1510 C LEU A 100 -1.822 -7.599 1.907 1.00 0.00 C ATOM 1511 O LEU A 100 -0.698 -7.680 2.401 1.00 0.00 O ATOM 1512 CB LEU A 100 -3.872 -7.121 3.367 1.00 0.00 C ATOM 1513 CG LEU A 100 -4.347 -8.545 3.072 1.00 0.00 C ATOM 1514 CD1 LEU A 100 -4.966 -9.185 4.316 1.00 0.00 C ATOM 1515 CD2 LEU A 100 -5.304 -8.568 1.879 1.00 0.00 C ATOM 0 H LEU A 100 -4.474 -5.953 1.278 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.251 -5.827 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.468 -7.096 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.739 -6.460 3.354 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.479 -9.145 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.295 -10.197 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.224 -9.222 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.820 -8.592 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.626 -9.592 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.174 -7.948 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.795 -8.180 0.997 1.00 0.00 H new ATOM 1527 N CYS A 101 -2.268 -8.372 0.929 1.00 0.00 N ATOM 1528 CA CYS A 101 -1.429 -9.409 0.351 1.00 0.00 C ATOM 1529 C CYS A 101 -0.228 -8.737 -0.315 1.00 0.00 C ATOM 1530 O CYS A 101 0.871 -9.291 -0.326 1.00 0.00 O ATOM 1531 CB CYS A 101 -2.209 -10.287 -0.629 1.00 0.00 C ATOM 1532 SG CYS A 101 -1.646 -12.026 -0.717 1.00 0.00 S ATOM 0 H CYS A 101 -3.200 -8.302 0.521 1.00 0.00 H new ATOM 0 HA CYS A 101 -1.080 -10.079 1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.262 -10.275 -0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -2.140 -9.847 -1.624 1.00 0.00 H new ATOM 1537 N ASP A 102 -0.476 -7.553 -0.856 1.00 0.00 N ATOM 1538 CA ASP A 102 0.573 -6.799 -1.524 1.00 0.00 C ATOM 1539 C ASP A 102 1.530 -6.230 -0.476 1.00 0.00 C ATOM 1540 O ASP A 102 1.222 -6.222 0.715 1.00 0.00 O ATOM 1541 CB ASP A 102 -0.011 -5.629 -2.318 1.00 0.00 C ATOM 1542 CG ASP A 102 0.769 -5.252 -3.578 1.00 0.00 C ATOM 1543 OD1 ASP A 102 2.012 -5.185 -3.478 1.00 0.00 O ATOM 1544 OD2 ASP A 102 0.102 -5.038 -4.615 1.00 0.00 O ATOM 0 H ASP A 102 -1.388 -7.097 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 102 1.093 -7.473 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.034 -5.876 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.063 -4.757 -1.666 1.00 0.00 H new ATOM 1549 N PHE A 103 2.676 -5.767 -0.957 1.00 0.00 N ATOM 1550 CA PHE A 103 3.681 -5.196 -0.077 1.00 0.00 C ATOM 1551 C PHE A 103 3.221 -3.847 0.478 1.00 0.00 C ATOM 1552 O PHE A 103 3.011 -2.899 -0.277 1.00 0.00 O ATOM 1553 CB PHE A 103 4.942 -4.985 -0.917 1.00 0.00 C ATOM 1554 CG PHE A 103 5.980 -4.071 -0.263 1.00 0.00 C ATOM 1555 CD1 PHE A 103 5.953 -3.865 1.081 1.00 0.00 C ATOM 1556 CD2 PHE A 103 6.928 -3.463 -1.025 1.00 0.00 C ATOM 1557 CE1 PHE A 103 6.917 -3.016 1.688 1.00 0.00 C ATOM 1558 CE2 PHE A 103 7.891 -2.615 -0.419 1.00 0.00 C ATOM 1559 CZ PHE A 103 7.865 -2.409 0.926 1.00 0.00 C ATOM 0 H PHE A 103 2.930 -5.776 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 103 3.860 -5.863 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.400 -5.954 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.658 -4.563 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.199 -4.346 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 103 6.948 -3.626 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.897 -2.853 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.644 -2.133 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 103 8.597 -1.763 1.388 1.00 0.00 H new ATOM 1569 N ILE A 104 3.079 -3.803 1.795 1.00 0.00 N ATOM 1570 CA ILE A 104 2.647 -2.586 2.462 1.00 0.00 C ATOM 1571 C ILE A 104 2.951 -2.693 3.957 1.00 0.00 C ATOM 1572 O ILE A 104 2.710 -3.731 4.570 1.00 0.00 O ATOM 1573 CB ILE A 104 1.177 -2.297 2.152 1.00 0.00 C ATOM 1574 CG1 ILE A 104 0.341 -3.577 2.221 1.00 0.00 C ATOM 1575 CG2 ILE A 104 1.030 -1.588 0.803 1.00 0.00 C ATOM 1576 CD1 ILE A 104 -1.126 -3.291 1.898 1.00 0.00 C ATOM 0 H ILE A 104 3.256 -4.591 2.418 1.00 0.00 H new ATOM 0 HA ILE A 104 3.203 -1.728 2.084 1.00 0.00 H new ATOM 0 HB ILE A 104 0.793 -1.620 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.735 -4.311 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.420 -4.014 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.025 -1.394 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.574 -0.644 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.436 -2.221 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.698 -4.217 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.524 -2.575 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.203 -2.877 0.893 1.00 0.00 H new ATOM 1588 N VAL A 105 3.478 -1.605 4.500 1.00 0.00 N ATOM 1589 CA VAL A 105 3.818 -1.564 5.912 1.00 0.00 C ATOM 1590 C VAL A 105 3.862 -0.107 6.380 1.00 0.00 C ATOM 1591 O VAL A 105 4.055 0.801 5.573 1.00 0.00 O ATOM 1592 CB VAL A 105 5.131 -2.310 6.157 1.00 0.00 C ATOM 1593 CG1 VAL A 105 4.870 -3.696 6.753 1.00 0.00 C ATOM 1594 CG2 VAL A 105 5.951 -2.413 4.870 1.00 0.00 C ATOM 0 H VAL A 105 3.678 -0.746 3.988 1.00 0.00 H new ATOM 0 HA VAL A 105 3.056 -2.073 6.502 1.00 0.00 H new ATOM 0 HB VAL A 105 5.712 -1.738 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.819 -4.206 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.345 -3.591 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.260 -4.279 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.879 -2.948 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.378 -2.953 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 105 6.181 -1.412 4.504 1.00 0.00 H new ATOM 1604 N PRO A 106 3.675 0.074 7.715 1.00 0.00 N ATOM 1605 CA PRO A 106 3.692 1.404 8.298 1.00 0.00 C ATOM 1606 C PRO A 106 5.121 1.945 8.389 1.00 0.00 C ATOM 1607 O PRO A 106 5.364 2.960 9.040 1.00 0.00 O ATOM 1608 CB PRO A 106 3.030 1.247 9.657 1.00 0.00 C ATOM 1609 CG PRO A 106 3.086 -0.239 9.978 1.00 0.00 C ATOM 1610 CD PRO A 106 3.445 -0.978 8.699 1.00 0.00 C ATOM 0 HA PRO A 106 3.158 2.135 7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.552 1.831 10.416 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.000 1.603 9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.827 -0.435 10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.125 -0.583 10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.334 -1.595 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.640 -1.643 8.387 1.00 0.00 H new ATOM 1618 N TRP A 107 6.028 1.243 7.727 1.00 0.00 N ATOM 1619 CA TRP A 107 7.427 1.640 7.724 1.00 0.00 C ATOM 1620 C TRP A 107 7.998 1.366 9.117 1.00 0.00 C ATOM 1621 O TRP A 107 8.941 0.591 9.264 1.00 0.00 O ATOM 1622 CB TRP A 107 7.581 3.099 7.291 1.00 0.00 C ATOM 1623 CG TRP A 107 9.031 3.527 7.054 1.00 0.00 C ATOM 1624 CD1 TRP A 107 9.919 2.997 6.201 1.00 0.00 C ATOM 1625 CD2 TRP A 107 9.730 4.603 7.716 1.00 0.00 C ATOM 1626 NE1 TRP A 107 11.133 3.650 6.265 1.00 0.00 N ATOM 1627 CE2 TRP A 107 11.014 4.657 7.215 1.00 0.00 C ATOM 1628 CE3 TRP A 107 9.289 5.500 8.705 1.00 0.00 C ATOM 1629 CZ2 TRP A 107 11.965 5.592 7.643 1.00 0.00 C ATOM 1630 CZ3 TRP A 107 10.252 6.428 9.123 1.00 0.00 C ATOM 1631 CH2 TRP A 107 11.549 6.496 8.628 1.00 0.00 C ATOM 0 H TRP A 107 5.822 0.401 7.189 1.00 0.00 H new ATOM 0 HA TRP A 107 7.992 1.059 6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.012 3.258 6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.143 3.742 8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 107 9.711 2.164 5.546 1.00 0.00 H new ATOM 0 HE1 TRP A 107 11.965 3.433 5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.288 5.476 9.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 12.965 5.614 7.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 9.966 7.140 9.883 1.00 0.00 H new ATOM 0 HH2 TRP A 107 12.233 7.243 9.002 1.00 0.00 H new ATOM 1642 N ASP A 108 7.402 2.019 10.105 1.00 0.00 N ATOM 1643 CA ASP A 108 7.840 1.856 11.480 1.00 0.00 C ATOM 1644 C ASP A 108 7.488 0.445 11.960 1.00 0.00 C ATOM 1645 O ASP A 108 6.863 0.279 13.005 1.00 0.00 O ATOM 1646 CB ASP A 108 7.142 2.856 12.403 1.00 0.00 C ATOM 1647 CG ASP A 108 7.548 2.770 13.876 1.00 0.00 C ATOM 1648 OD1 ASP A 108 8.761 2.594 14.121 1.00 0.00 O ATOM 1649 OD2 ASP A 108 6.636 2.883 14.723 1.00 0.00 O ATOM 0 H ASP A 108 6.620 2.662 9.980 1.00 0.00 H new ATOM 0 HA ASP A 108 8.916 2.025 11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.348 3.864 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.065 2.705 12.329 1.00 0.00 H new ATOM 1654 N THR A 109 7.905 -0.534 11.171 1.00 0.00 N ATOM 1655 CA THR A 109 7.642 -1.924 11.502 1.00 0.00 C ATOM 1656 C THR A 109 8.629 -2.841 10.777 1.00 0.00 C ATOM 1657 O THR A 109 9.331 -3.628 11.410 1.00 0.00 O ATOM 1658 CB THR A 109 6.179 -2.221 11.165 1.00 0.00 C ATOM 1659 OG1 THR A 109 5.953 -1.519 9.946 1.00 0.00 O ATOM 1660 CG2 THR A 109 5.208 -1.573 12.153 1.00 0.00 C ATOM 0 H THR A 109 8.423 -0.392 10.304 1.00 0.00 H new ATOM 0 HA THR A 109 7.792 -2.112 12.565 1.00 0.00 H new ATOM 0 HB THR A 109 6.021 -3.299 11.155 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.164 -2.103 9.188 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.184 -1.815 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 109 5.404 -1.950 13.157 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.343 -0.491 12.139 1.00 0.00 H new ATOM 1668 N LEU A 110 8.653 -2.709 9.458 1.00 0.00 N ATOM 1669 CA LEU A 110 9.543 -3.516 8.642 1.00 0.00 C ATOM 1670 C LEU A 110 10.173 -4.609 9.507 1.00 0.00 C ATOM 1671 O LEU A 110 9.505 -5.573 9.878 1.00 0.00 O ATOM 1672 CB LEU A 110 10.567 -2.629 7.929 1.00 0.00 C ATOM 1673 CG LEU A 110 9.994 -1.513 7.053 1.00 0.00 C ATOM 1674 CD1 LEU A 110 11.093 -0.545 6.611 1.00 0.00 C ATOM 1675 CD2 LEU A 110 9.226 -2.091 5.863 1.00 0.00 C ATOM 0 H LEU A 110 8.070 -2.055 8.935 1.00 0.00 H new ATOM 0 HA LEU A 110 8.984 -4.018 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.213 -2.177 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.198 -3.264 7.307 1.00 0.00 H new ATOM 0 HG LEU A 110 9.282 -0.941 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.659 0.239 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.558 -0.096 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.846 -1.087 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.829 -1.277 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.897 -2.700 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.404 -2.708 6.226 1.00 0.00 H new ATOM 1687 N SER A 111 11.450 -4.421 9.804 1.00 0.00 N ATOM 1688 CA SER A 111 12.177 -5.380 10.619 1.00 0.00 C ATOM 1689 C SER A 111 13.639 -5.447 10.170 1.00 0.00 C ATOM 1690 O SER A 111 14.545 -5.495 11.000 1.00 0.00 O ATOM 1691 CB SER A 111 11.535 -6.767 10.544 1.00 0.00 C ATOM 1692 OG SER A 111 10.518 -6.938 11.528 1.00 0.00 O ATOM 0 H SER A 111 12.000 -3.619 9.495 1.00 0.00 H new ATOM 0 HA SER A 111 12.136 -5.047 11.656 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.109 -6.916 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.302 -7.529 10.679 1.00 0.00 H new ATOM 0 HG SER A 111 9.646 -6.713 11.140 1.00 0.00 H new ATOM 1698 N THR A 112 13.821 -5.447 8.858 1.00 0.00 N ATOM 1699 CA THR A 112 15.157 -5.507 8.288 1.00 0.00 C ATOM 1700 C THR A 112 15.095 -5.967 6.831 1.00 0.00 C ATOM 1701 O THR A 112 15.428 -5.209 5.922 1.00 0.00 O ATOM 1702 CB THR A 112 16.010 -6.415 9.178 1.00 0.00 C ATOM 1703 OG1 THR A 112 16.790 -5.509 9.952 1.00 0.00 O ATOM 1704 CG2 THR A 112 17.044 -7.212 8.379 1.00 0.00 C ATOM 0 H THR A 112 13.066 -5.406 8.173 1.00 0.00 H new ATOM 0 HA THR A 112 15.622 -4.522 8.264 1.00 0.00 H new ATOM 0 HB THR A 112 15.363 -7.103 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.281 -5.232 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 112 17.622 -7.840 9.057 1.00 0.00 H new ATOM 0 HG22 THR A 112 16.534 -7.840 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 112 17.713 -6.524 7.862 1.00 0.00 H new ATOM 1712 N THR A 113 14.667 -7.209 6.654 1.00 0.00 N ATOM 1713 CA THR A 113 14.557 -7.779 5.322 1.00 0.00 C ATOM 1714 C THR A 113 13.812 -6.821 4.391 1.00 0.00 C ATOM 1715 O THR A 113 13.987 -6.872 3.174 1.00 0.00 O ATOM 1716 CB THR A 113 13.886 -9.148 5.448 1.00 0.00 C ATOM 1717 OG1 THR A 113 14.857 -9.951 6.113 1.00 0.00 O ATOM 1718 CG2 THR A 113 13.698 -9.836 4.094 1.00 0.00 C ATOM 0 H THR A 113 14.393 -7.836 7.410 1.00 0.00 H new ATOM 0 HA THR A 113 15.539 -7.922 4.871 1.00 0.00 H new ATOM 0 HB THR A 113 12.917 -9.033 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 113 14.503 -10.856 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.218 -10.803 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 113 13.073 -9.214 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 113 14.670 -9.981 3.622 1.00 0.00 H new ATOM 1726 N GLN A 114 12.998 -5.970 4.998 1.00 0.00 N ATOM 1727 CA GLN A 114 12.226 -5.002 4.238 1.00 0.00 C ATOM 1728 C GLN A 114 13.053 -3.738 3.995 1.00 0.00 C ATOM 1729 O GLN A 114 12.938 -3.109 2.944 1.00 0.00 O ATOM 1730 CB GLN A 114 10.913 -4.669 4.948 1.00 0.00 C ATOM 1731 CG GLN A 114 9.821 -5.679 4.585 1.00 0.00 C ATOM 1732 CD GLN A 114 9.739 -6.796 5.627 1.00 0.00 C ATOM 1733 OE1 GLN A 114 10.877 -7.463 5.797 1.00 0.00 O flip ATOM 1734 NE2 GLN A 114 8.710 -7.037 6.236 1.00 0.00 N flip ATOM 0 H GLN A 114 12.856 -5.931 6.007 1.00 0.00 H new ATOM 0 HA GLN A 114 11.977 -5.442 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.069 -4.669 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 114 10.591 -3.665 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.859 -5.171 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.028 -6.107 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 114 7.871 -6.486 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.689 -7.790 6.924 1.00 0.00 H new ATOM 1743 N LYS A 115 13.868 -3.402 4.984 1.00 0.00 N ATOM 1744 CA LYS A 115 14.713 -2.224 4.890 1.00 0.00 C ATOM 1745 C LYS A 115 15.818 -2.475 3.862 1.00 0.00 C ATOM 1746 O LYS A 115 16.148 -1.591 3.071 1.00 0.00 O ATOM 1747 CB LYS A 115 15.238 -1.829 6.273 1.00 0.00 C ATOM 1748 CG LYS A 115 14.465 -0.634 6.832 1.00 0.00 C ATOM 1749 CD LYS A 115 14.359 -0.713 8.356 1.00 0.00 C ATOM 1750 CE LYS A 115 13.857 -2.088 8.800 1.00 0.00 C ATOM 1751 NZ LYS A 115 13.330 -2.027 10.182 1.00 0.00 N ATOM 0 H LYS A 115 13.961 -3.925 5.855 1.00 0.00 H new ATOM 0 HA LYS A 115 14.136 -1.369 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.150 -2.675 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.298 -1.582 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.964 0.292 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.467 -0.606 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.334 -0.516 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.681 0.060 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.076 -2.433 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.669 -2.813 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.311 -2.984 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.942 -1.417 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.366 -1.637 10.169 1.00 0.00 H new ATOM 1765 N LYS A 116 16.360 -3.683 3.905 1.00 0.00 N ATOM 1766 CA LYS A 116 17.421 -4.061 2.988 1.00 0.00 C ATOM 1767 C LYS A 116 16.886 -4.021 1.554 1.00 0.00 C ATOM 1768 O LYS A 116 17.662 -3.960 0.601 1.00 0.00 O ATOM 1769 CB LYS A 116 18.016 -5.414 3.384 1.00 0.00 C ATOM 1770 CG LYS A 116 17.109 -6.563 2.942 1.00 0.00 C ATOM 1771 CD LYS A 116 17.678 -7.266 1.707 1.00 0.00 C ATOM 1772 CE LYS A 116 16.950 -6.819 0.437 1.00 0.00 C ATOM 1773 NZ LYS A 116 17.887 -6.139 -0.485 1.00 0.00 N ATOM 0 H LYS A 116 16.084 -4.413 4.561 1.00 0.00 H new ATOM 0 HA LYS A 116 18.244 -3.349 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.001 -5.529 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 116 18.156 -5.451 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.001 -7.280 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.113 -6.180 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 116 18.742 -7.046 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.584 -8.346 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.506 -7.683 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.133 -6.146 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.508 -6.174 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.002 -5.147 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.810 -6.617 -0.457 1.00 0.00 H new ATOM 1787 N SER A 117 15.567 -4.058 1.447 1.00 0.00 N ATOM 1788 CA SER A 117 14.920 -4.027 0.146 1.00 0.00 C ATOM 1789 C SER A 117 14.563 -2.587 -0.226 1.00 0.00 C ATOM 1790 O SER A 117 14.224 -2.304 -1.375 1.00 0.00 O ATOM 1791 CB SER A 117 13.668 -4.905 0.132 1.00 0.00 C ATOM 1792 OG SER A 117 13.644 -5.783 -0.991 1.00 0.00 O ATOM 0 H SER A 117 14.928 -4.109 2.240 1.00 0.00 H new ATOM 0 HA SER A 117 15.617 -4.424 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.625 -5.490 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.781 -4.272 0.116 1.00 0.00 H new ATOM 0 HG SER A 117 13.461 -6.697 -0.688 1.00 0.00 H new ATOM 1798 N LEU A 118 14.649 -1.714 0.767 1.00 0.00 N ATOM 1799 CA LEU A 118 14.338 -0.310 0.558 1.00 0.00 C ATOM 1800 C LEU A 118 15.434 0.329 -0.297 1.00 0.00 C ATOM 1801 O LEU A 118 15.180 1.287 -1.025 1.00 0.00 O ATOM 1802 CB LEU A 118 14.115 0.395 1.898 1.00 0.00 C ATOM 1803 CG LEU A 118 12.798 0.078 2.610 1.00 0.00 C ATOM 1804 CD1 LEU A 118 12.659 0.899 3.894 1.00 0.00 C ATOM 1805 CD2 LEU A 118 11.606 0.276 1.672 1.00 0.00 C ATOM 0 H LEU A 118 14.930 -1.952 1.718 1.00 0.00 H new ATOM 0 HA LEU A 118 13.402 -0.205 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.937 0.135 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.166 1.471 1.733 1.00 0.00 H new ATOM 0 HG LEU A 118 12.809 -0.973 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.715 0.655 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.485 0.666 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.678 1.961 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.683 0.044 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.579 1.311 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.706 -0.386 0.812 1.00 0.00 H new ATOM 1817 N ASN A 119 16.630 -0.228 -0.181 1.00 0.00 N ATOM 1818 CA ASN A 119 17.767 0.276 -0.934 1.00 0.00 C ATOM 1819 C ASN A 119 17.974 -0.593 -2.177 1.00 0.00 C ATOM 1820 O ASN A 119 19.028 -0.537 -2.808 1.00 0.00 O ATOM 1821 CB ASN A 119 19.048 0.221 -0.101 1.00 0.00 C ATOM 1822 CG ASN A 119 19.481 -1.226 0.147 1.00 0.00 C ATOM 1823 OD1 ASN A 119 18.962 -1.764 1.247 1.00 0.00 O flip ATOM 1824 ND2 ASN A 119 20.234 -1.814 -0.610 1.00 0.00 N flip ATOM 0 H ASN A 119 16.837 -1.023 0.423 1.00 0.00 H new ATOM 0 HA ASN A 119 17.559 1.311 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 119 19.844 0.759 -0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 119 18.888 0.725 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 119 20.597 -1.341 -1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 119 20.502 -2.779 -0.416 1.00 0.00 H new