USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 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 31 HIS : no HD1:sc= -3.12! C(o=-7.4!,f=-19!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -4.28! C(o=-7.4!,f=-23!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 123:sc= 0.145 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 17 ASN : amide:sc= -0.296 K(o=-0.3,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0524) USER MOD Single : A 20 SER OG : rot 180:sc=0.000929 USER MOD Single : A 21 ASN : amide:sc= -6.06! C(o=-6.1!,f=-7.9!) USER MOD Single : A 24 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 31:sc= 0.0272 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -6.87! C(o=-6.9!,f=-6.8!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0647) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 22:sc= 0.211 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= -3.46! (180deg=-5.77!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -32:sc= 0.284 USER MOD Single : A 89 GLN : amide:sc= -0.699 K(o=-0.7,f=-3.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0137 (180deg=-0.285) USER MOD Single : A 99 MET CE :methyl -169:sc= -0.347 (180deg=-0.643) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.683 -5.813 6.390 1.00 0.00 N ATOM 18 CA ILE A 7 3.116 -4.569 5.909 1.00 0.00 C ATOM 19 C ILE A 7 1.897 -4.260 6.755 1.00 0.00 C ATOM 20 O ILE A 7 1.197 -5.175 7.184 1.00 0.00 O ATOM 21 CB ILE A 7 2.650 -4.652 4.428 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.559 -5.548 3.587 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.572 -3.269 3.796 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.901 -6.002 2.299 1.00 0.00 C ATOM 0 HA ILE A 7 3.888 -3.802 5.977 1.00 0.00 H new ATOM 0 HB ILE A 7 1.654 -5.095 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.477 -5.009 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.844 -6.422 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.243 -3.360 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.861 -2.656 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.555 -2.800 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.591 -6.635 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.998 -6.566 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.640 -5.131 1.697 1.00 0.00 H new ATOM 36 N GLN A 8 1.649 -2.992 7.013 1.00 0.00 N ATOM 37 CA GLN A 8 0.477 -2.605 7.780 1.00 0.00 C ATOM 38 C GLN A 8 -0.255 -1.462 7.091 1.00 0.00 C ATOM 39 O GLN A 8 0.263 -0.348 6.984 1.00 0.00 O ATOM 40 CB GLN A 8 0.880 -2.222 9.205 1.00 0.00 C ATOM 41 CG GLN A 8 1.456 -3.387 10.004 1.00 0.00 C ATOM 42 CD GLN A 8 2.057 -2.939 11.318 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.620 -1.953 11.910 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.067 -3.656 11.780 1.00 0.00 N ATOM 0 H GLN A 8 2.236 -2.216 6.707 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.204 -3.454 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.617 -1.420 9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.009 -1.828 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.670 -4.117 10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.219 -3.890 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.398 -4.467 11.257 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.515 -3.399 12.659 1.00 0.00 H new ATOM 53 N VAL A 9 -1.448 -1.760 6.589 1.00 0.00 N ATOM 54 CA VAL A 9 -2.259 -0.764 5.903 1.00 0.00 C ATOM 55 C VAL A 9 -3.227 -0.072 6.852 1.00 0.00 C ATOM 56 O VAL A 9 -3.678 -0.653 7.841 1.00 0.00 O ATOM 57 CB VAL A 9 -3.060 -1.371 4.728 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.166 -1.579 3.518 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.698 -2.684 5.147 1.00 0.00 C ATOM 0 H VAL A 9 -1.875 -2.685 6.645 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.555 -0.031 5.509 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.849 -0.671 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.750 -2.007 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.751 -0.621 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.354 -2.258 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.259 -3.100 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.921 -3.387 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.373 -2.509 5.985 1.00 0.00 H new ATOM 69 N TYR A 10 -3.540 1.169 6.517 1.00 0.00 N ATOM 70 CA TYR A 10 -4.431 2.016 7.296 1.00 0.00 C ATOM 71 C TYR A 10 -5.081 3.025 6.365 1.00 0.00 C ATOM 72 O TYR A 10 -4.867 2.992 5.151 1.00 0.00 O ATOM 73 CB TYR A 10 -3.674 2.786 8.391 1.00 0.00 C ATOM 74 CG TYR A 10 -3.185 1.945 9.562 1.00 0.00 C ATOM 75 CD1 TYR A 10 -4.064 1.157 10.306 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.839 1.947 9.929 1.00 0.00 C ATOM 77 CE1 TYR A 10 -3.612 0.396 11.375 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.385 1.191 10.994 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.274 0.420 11.711 1.00 0.00 C ATOM 80 OH TYR A 10 -1.818 -0.335 12.770 1.00 0.00 O ATOM 0 H TYR A 10 -3.176 1.625 5.681 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.173 1.377 7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.815 3.280 7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.325 3.570 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.112 1.139 10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.138 2.550 9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.303 -0.211 11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.339 1.205 11.263 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.852 -0.206 12.872 1.00 0.00 H new ATOM 90 N SER A 11 -5.880 3.914 6.922 1.00 0.00 N ATOM 91 CA SER A 11 -6.412 5.034 6.168 1.00 0.00 C ATOM 92 C SER A 11 -6.294 6.310 6.986 1.00 0.00 C ATOM 93 O SER A 11 -6.201 6.264 8.213 1.00 0.00 O ATOM 94 CB SER A 11 -7.873 4.785 5.805 1.00 0.00 C ATOM 95 OG SER A 11 -8.007 3.603 5.033 1.00 0.00 O ATOM 0 H SER A 11 -6.176 3.883 7.898 1.00 0.00 H new ATOM 0 HA SER A 11 -5.836 5.141 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.469 4.700 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.263 5.636 5.246 1.00 0.00 H new ATOM 0 HG SER A 11 -8.625 2.988 5.481 1.00 0.00 H new ATOM 101 N ARG A 12 -6.283 7.447 6.299 1.00 0.00 N ATOM 102 CA ARG A 12 -6.146 8.739 6.969 1.00 0.00 C ATOM 103 C ARG A 12 -7.493 9.269 7.446 1.00 0.00 C ATOM 104 O ARG A 12 -7.555 10.205 8.240 1.00 0.00 O ATOM 105 CB ARG A 12 -5.481 9.763 6.045 1.00 0.00 C ATOM 106 CG ARG A 12 -4.198 10.338 6.624 1.00 0.00 C ATOM 107 CD ARG A 12 -4.468 11.163 7.870 1.00 0.00 C ATOM 108 NE ARG A 12 -4.789 12.551 7.546 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.742 13.258 8.151 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.514 12.687 9.067 1.00 0.00 N ATOM 111 NH2 ARG A 12 -5.933 14.528 7.825 1.00 0.00 N ATOM 0 H ARG A 12 -6.367 7.503 5.284 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.512 8.584 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.262 9.292 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.181 10.575 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.512 9.527 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.706 10.959 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.294 10.720 8.427 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.594 11.135 8.520 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.249 13.007 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.378 11.705 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.243 13.230 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.350 14.964 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.663 15.069 8.288 1.00 0.00 H new ATOM 125 N HIS A 13 -8.566 8.661 6.968 1.00 0.00 N ATOM 126 CA HIS A 13 -9.915 9.104 7.297 1.00 0.00 C ATOM 127 C HIS A 13 -10.803 7.895 7.585 1.00 0.00 C ATOM 128 O HIS A 13 -10.475 6.777 7.182 1.00 0.00 O ATOM 129 CB HIS A 13 -10.510 9.925 6.143 1.00 0.00 C ATOM 130 CG HIS A 13 -9.795 11.213 5.850 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.651 12.186 6.807 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.214 11.638 4.697 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.988 13.173 6.225 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.703 12.884 4.948 1.00 0.00 N ATOM 0 H HIS A 13 -8.530 7.853 6.346 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.866 9.735 8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.508 9.312 5.242 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.551 10.149 6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.165 11.098 3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.712 14.094 6.717 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.201 13.479 4.288 1.00 0.00 H new ATOM 142 N PRO A 14 -11.932 8.101 8.292 1.00 0.00 N ATOM 143 CA PRO A 14 -12.874 7.021 8.627 1.00 0.00 C ATOM 144 C PRO A 14 -13.580 6.472 7.387 1.00 0.00 C ATOM 145 O PRO A 14 -14.010 7.236 6.520 1.00 0.00 O ATOM 146 CB PRO A 14 -13.894 7.691 9.560 1.00 0.00 C ATOM 147 CG PRO A 14 -13.263 8.988 9.969 1.00 0.00 C ATOM 148 CD PRO A 14 -12.394 9.397 8.814 1.00 0.00 C ATOM 0 HA PRO A 14 -12.364 6.170 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.843 7.859 9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.104 7.065 10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.020 9.744 10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.675 8.868 10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.951 9.961 8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.563 10.026 9.133 1.00 0.00 H new ATOM 156 N ALA A 15 -13.687 5.147 7.315 1.00 0.00 N ATOM 157 CA ALA A 15 -14.312 4.463 6.180 1.00 0.00 C ATOM 158 C ALA A 15 -15.778 4.870 5.997 1.00 0.00 C ATOM 159 O ALA A 15 -16.642 4.423 6.753 1.00 0.00 O ATOM 160 CB ALA A 15 -14.231 2.953 6.383 1.00 0.00 C ATOM 0 H ALA A 15 -13.344 4.516 8.039 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.768 4.756 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.697 2.447 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.186 2.651 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.752 2.681 7.301 1.00 0.00 H new ATOM 166 N GLU A 16 -16.067 5.721 5.013 1.00 0.00 N ATOM 167 CA GLU A 16 -17.450 6.084 4.716 1.00 0.00 C ATOM 168 C GLU A 16 -17.786 5.654 3.283 1.00 0.00 C ATOM 169 O GLU A 16 -17.260 6.228 2.325 1.00 0.00 O ATOM 170 CB GLU A 16 -17.658 7.605 4.880 1.00 0.00 C ATOM 171 CG GLU A 16 -19.009 8.017 5.445 1.00 0.00 C ATOM 172 CD GLU A 16 -20.174 7.534 4.611 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.581 8.266 3.683 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.694 6.431 4.881 1.00 0.00 O ATOM 0 H GLU A 16 -15.371 6.167 4.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.113 5.574 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.876 7.994 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.529 8.080 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.107 7.625 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.049 9.104 5.519 1.00 0.00 H new ATOM 181 N ASN A 17 -18.619 4.616 3.141 1.00 0.00 N ATOM 182 CA ASN A 17 -19.064 4.137 1.834 1.00 0.00 C ATOM 183 C ASN A 17 -19.497 5.296 0.918 1.00 0.00 C ATOM 184 O ASN A 17 -20.408 6.058 1.245 1.00 0.00 O ATOM 185 CB ASN A 17 -20.213 3.117 2.026 1.00 0.00 C ATOM 186 CG ASN A 17 -20.946 2.795 0.733 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.579 1.868 0.014 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.008 3.538 0.446 1.00 0.00 N ATOM 0 H ASN A 17 -19.000 4.089 3.927 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.226 3.645 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.807 2.196 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.924 3.512 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.551 3.348 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.281 4.299 1.068 1.00 0.00 H new ATOM 195 N GLY A 18 -18.814 5.440 -0.218 1.00 0.00 N ATOM 196 CA GLY A 18 -19.152 6.489 -1.175 1.00 0.00 C ATOM 197 C GLY A 18 -18.126 7.610 -1.240 1.00 0.00 C ATOM 198 O GLY A 18 -18.123 8.386 -2.192 1.00 0.00 O ATOM 0 H GLY A 18 -18.031 4.848 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.256 6.046 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.122 6.911 -0.911 1.00 0.00 H new ATOM 202 N LYS A 19 -17.257 7.712 -0.242 1.00 0.00 N ATOM 203 CA LYS A 19 -16.267 8.792 -0.225 1.00 0.00 C ATOM 204 C LYS A 19 -15.001 8.362 -0.943 1.00 0.00 C ATOM 205 O LYS A 19 -14.664 7.179 -0.958 1.00 0.00 O ATOM 206 CB LYS A 19 -15.868 9.182 1.204 1.00 0.00 C ATOM 207 CG LYS A 19 -16.994 9.435 2.202 1.00 0.00 C ATOM 208 CD LYS A 19 -17.802 10.701 1.937 1.00 0.00 C ATOM 209 CE LYS A 19 -18.689 10.605 0.706 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.822 9.659 0.909 1.00 0.00 N ATOM 0 H LYS A 19 -17.213 7.076 0.554 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.732 9.644 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.234 8.391 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.257 10.083 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.669 8.580 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.568 9.494 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.423 10.916 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.118 11.541 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.080 11.593 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.093 10.279 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.485 9.735 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.457 8.687 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.316 9.894 1.793 1.00 0.00 H new ATOM 224 N SER A 20 -14.310 9.314 -1.548 1.00 0.00 N ATOM 225 CA SER A 20 -12.972 9.066 -2.037 1.00 0.00 C ATOM 226 C SER A 20 -11.936 9.628 -1.073 1.00 0.00 C ATOM 227 O SER A 20 -12.041 10.766 -0.606 1.00 0.00 O ATOM 228 CB SER A 20 -12.778 9.607 -3.453 1.00 0.00 C ATOM 229 OG SER A 20 -13.511 10.804 -3.659 1.00 0.00 O ATOM 0 H SER A 20 -14.655 10.260 -1.710 1.00 0.00 H new ATOM 0 HA SER A 20 -12.830 7.987 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.719 9.793 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.095 8.856 -4.177 1.00 0.00 H new ATOM 0 HG SER A 20 -13.364 11.124 -4.573 1.00 0.00 H new ATOM 235 N ASN A 21 -10.930 8.819 -0.798 1.00 0.00 N ATOM 236 CA ASN A 21 -9.916 9.116 0.210 1.00 0.00 C ATOM 237 C ASN A 21 -8.645 8.416 -0.242 1.00 0.00 C ATOM 238 O ASN A 21 -8.528 8.061 -1.418 1.00 0.00 O ATOM 239 CB ASN A 21 -10.288 8.623 1.625 1.00 0.00 C ATOM 240 CG ASN A 21 -11.659 9.047 2.151 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.675 8.954 1.474 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.689 9.514 3.384 1.00 0.00 N ATOM 0 H ASN A 21 -10.788 7.926 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.807 10.198 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.241 7.534 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.529 8.979 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.574 9.809 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.827 9.580 3.925 1.00 0.00 H new ATOM 249 N PHE A 22 -7.711 8.171 0.670 1.00 0.00 N ATOM 250 CA PHE A 22 -6.425 7.594 0.296 1.00 0.00 C ATOM 251 C PHE A 22 -6.111 6.338 1.101 1.00 0.00 C ATOM 252 O PHE A 22 -6.226 6.338 2.330 1.00 0.00 O ATOM 253 CB PHE A 22 -5.322 8.636 0.491 1.00 0.00 C ATOM 254 CG PHE A 22 -5.324 9.690 -0.578 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.127 11.028 -0.275 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.533 9.329 -1.896 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.135 11.984 -1.274 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.542 10.278 -2.901 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.342 11.609 -2.588 1.00 0.00 C ATOM 0 H PHE A 22 -7.818 8.361 1.666 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.477 7.303 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.445 9.111 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.353 8.136 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.966 11.327 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.692 8.290 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.979 13.024 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.705 9.981 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.347 12.355 -3.369 1.00 0.00 H new ATOM 269 N LEU A 23 -5.714 5.269 0.406 1.00 0.00 N ATOM 270 CA LEU A 23 -5.299 4.033 1.081 1.00 0.00 C ATOM 271 C LEU A 23 -3.816 4.120 1.425 1.00 0.00 C ATOM 272 O LEU A 23 -2.977 4.357 0.556 1.00 0.00 O ATOM 273 CB LEU A 23 -5.592 2.782 0.220 1.00 0.00 C ATOM 274 CG LEU A 23 -4.944 1.451 0.685 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.321 1.105 2.122 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.351 0.311 -0.240 1.00 0.00 C ATOM 0 H LEU A 23 -5.671 5.232 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.879 3.929 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.672 2.640 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.261 2.984 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.863 1.587 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.846 0.166 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.983 1.899 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.403 1.002 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.888 -0.616 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.435 0.201 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.021 0.531 -1.255 1.00 0.00 H new ATOM 288 N ASN A 24 -3.512 3.941 2.697 1.00 0.00 N ATOM 289 CA ASN A 24 -2.141 4.104 3.196 1.00 0.00 C ATOM 290 C ASN A 24 -1.507 2.747 3.474 1.00 0.00 C ATOM 291 O ASN A 24 -2.041 1.947 4.243 1.00 0.00 O ATOM 292 CB ASN A 24 -2.113 5.012 4.458 1.00 0.00 C ATOM 293 CG ASN A 24 -1.098 4.588 5.508 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.385 3.755 6.362 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.077 5.192 5.482 1.00 0.00 N ATOM 0 H ASN A 24 -4.191 3.682 3.412 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.551 4.597 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.896 6.035 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.105 5.018 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.780 4.971 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.281 5.880 4.757 1.00 0.00 H new ATOM 302 N CYS A 25 -0.389 2.466 2.808 1.00 0.00 N ATOM 303 CA CYS A 25 0.364 1.245 3.040 1.00 0.00 C ATOM 304 C CYS A 25 1.777 1.592 3.514 1.00 0.00 C ATOM 305 O CYS A 25 2.524 2.257 2.795 1.00 0.00 O ATOM 306 CB CYS A 25 0.441 0.435 1.734 1.00 0.00 C ATOM 307 SG CYS A 25 1.680 -0.895 1.743 1.00 0.00 S ATOM 0 H CYS A 25 0.015 3.077 2.098 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.135 0.652 3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.538 0.001 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.663 1.115 0.912 1.00 0.00 H new ATOM 312 N TYR A 26 2.138 1.169 4.723 1.00 0.00 N ATOM 313 CA TYR A 26 3.497 1.386 5.218 1.00 0.00 C ATOM 314 C TYR A 26 4.377 0.198 4.883 1.00 0.00 C ATOM 315 O TYR A 26 4.040 -0.943 5.201 1.00 0.00 O ATOM 316 CB TYR A 26 3.546 1.582 6.739 1.00 0.00 C ATOM 317 CG TYR A 26 2.894 2.834 7.282 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.574 4.045 7.289 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.619 2.795 7.834 1.00 0.00 C ATOM 320 CE1 TYR A 26 3.003 5.183 7.828 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.039 3.930 8.367 1.00 0.00 C ATOM 322 CZ TYR A 26 1.735 5.120 8.364 1.00 0.00 C ATOM 323 OH TYR A 26 1.164 6.250 8.902 1.00 0.00 O ATOM 0 H TYR A 26 1.520 0.681 5.371 1.00 0.00 H new ATOM 0 HA TYR A 26 3.854 2.293 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.072 0.720 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.591 1.580 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.566 4.099 6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.073 1.863 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.547 6.116 7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.044 3.885 8.784 1.00 0.00 H new ATOM 0 HH TYR A 26 0.268 6.036 9.236 1.00 0.00 H new ATOM 333 N VAL A 27 5.516 0.468 4.269 1.00 0.00 N ATOM 334 CA VAL A 27 6.498 -0.566 3.997 1.00 0.00 C ATOM 335 C VAL A 27 7.816 -0.155 4.667 1.00 0.00 C ATOM 336 O VAL A 27 8.498 0.754 4.199 1.00 0.00 O ATOM 337 CB VAL A 27 6.700 -0.755 2.469 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.632 -1.920 2.190 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.362 -0.978 1.772 1.00 0.00 C ATOM 0 H VAL A 27 5.784 1.399 3.948 1.00 0.00 H new ATOM 0 HA VAL A 27 6.151 -1.519 4.397 1.00 0.00 H new ATOM 0 HB VAL A 27 7.152 0.155 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.759 -2.034 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.601 -1.730 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.206 -2.834 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.526 -1.108 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.885 -1.870 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.717 -0.115 1.938 1.00 0.00 H new ATOM 349 N SER A 28 8.162 -0.809 5.772 1.00 0.00 N ATOM 350 CA SER A 28 9.232 -0.315 6.636 1.00 0.00 C ATOM 351 C SER A 28 10.434 -1.275 6.708 1.00 0.00 C ATOM 352 O SER A 28 10.265 -2.487 6.866 1.00 0.00 O ATOM 353 CB SER A 28 8.644 -0.066 8.035 1.00 0.00 C ATOM 354 OG SER A 28 8.075 -1.252 8.572 1.00 0.00 O ATOM 0 H SER A 28 7.723 -1.673 6.089 1.00 0.00 H new ATOM 0 HA SER A 28 9.619 0.612 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.426 0.299 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.883 0.713 7.979 1.00 0.00 H new ATOM 0 HG SER A 28 8.567 -2.031 8.238 1.00 0.00 H new ATOM 360 N GLY A 29 11.649 -0.716 6.592 1.00 0.00 N ATOM 361 CA GLY A 29 12.875 -1.511 6.710 1.00 0.00 C ATOM 362 C GLY A 29 13.471 -1.904 5.371 1.00 0.00 C ATOM 363 O GLY A 29 14.517 -2.554 5.320 1.00 0.00 O ATOM 0 H GLY A 29 11.805 0.277 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.614 -0.943 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.660 -2.413 7.282 1.00 0.00 H new ATOM 367 N PHE A 30 12.817 -1.518 4.294 1.00 0.00 N ATOM 368 CA PHE A 30 13.257 -1.893 2.955 1.00 0.00 C ATOM 369 C PHE A 30 13.730 -0.670 2.179 1.00 0.00 C ATOM 370 O PHE A 30 13.117 0.389 2.271 1.00 0.00 O ATOM 371 CB PHE A 30 12.100 -2.535 2.201 1.00 0.00 C ATOM 372 CG PHE A 30 11.485 -3.735 2.899 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.523 -3.568 3.889 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.863 -5.030 2.557 1.00 0.00 C ATOM 375 CE1 PHE A 30 9.950 -4.663 4.520 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.296 -6.128 3.189 1.00 0.00 C ATOM 377 CZ PHE A 30 10.338 -5.940 4.166 1.00 0.00 C ATOM 0 H PHE A 30 11.975 -0.942 4.315 1.00 0.00 H new ATOM 0 HA PHE A 30 14.084 -2.596 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.325 -1.785 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.451 -2.843 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.217 -2.571 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.607 -5.183 1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.203 -4.517 5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.603 -7.127 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.891 -6.794 4.654 1.00 0.00 H new ATOM 387 N HIS A 31 14.807 -0.816 1.405 1.00 0.00 N ATOM 388 CA HIS A 31 15.309 0.297 0.586 1.00 0.00 C ATOM 389 C HIS A 31 14.335 0.656 -0.521 1.00 0.00 C ATOM 390 O HIS A 31 14.001 -0.177 -1.354 1.00 0.00 O ATOM 391 CB HIS A 31 16.681 0.012 -0.052 1.00 0.00 C ATOM 392 CG HIS A 31 16.993 -1.428 -0.334 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.234 -1.940 -0.056 1.00 0.00 N ATOM 394 CD2 HIS A 31 16.233 -2.395 -0.895 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.208 -3.198 -0.451 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.015 -3.521 -0.969 1.00 0.00 N ATOM 0 H HIS A 31 15.344 -1.679 1.326 1.00 0.00 H new ATOM 0 HA HIS A 31 15.418 1.131 1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.745 0.566 -0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.454 0.408 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.208 -2.300 -1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.041 -3.880 -0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.741 -4.428 -1.346 1.00 0.00 H new ATOM 404 N PRO A 32 13.913 1.929 -0.561 1.00 0.00 N ATOM 405 CA PRO A 32 12.962 2.439 -1.564 1.00 0.00 C ATOM 406 C PRO A 32 13.398 2.176 -3.006 1.00 0.00 C ATOM 407 O PRO A 32 12.606 2.323 -3.936 1.00 0.00 O ATOM 408 CB PRO A 32 12.941 3.953 -1.289 1.00 0.00 C ATOM 409 CG PRO A 32 13.360 4.099 0.133 1.00 0.00 C ATOM 410 CD PRO A 32 14.333 2.981 0.387 1.00 0.00 C ATOM 0 HA PRO A 32 11.993 1.947 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.621 4.484 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.946 4.369 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.825 5.070 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.503 4.032 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.361 3.296 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.283 2.633 1.419 1.00 0.00 H new ATOM 418 N SER A 33 14.652 1.789 -3.194 1.00 0.00 N ATOM 419 CA SER A 33 15.166 1.554 -4.525 1.00 0.00 C ATOM 420 C SER A 33 15.027 0.078 -4.952 1.00 0.00 C ATOM 421 O SER A 33 14.694 -0.185 -6.107 1.00 0.00 O ATOM 422 CB SER A 33 16.620 2.050 -4.636 1.00 0.00 C ATOM 423 OG SER A 33 17.151 1.817 -5.928 1.00 0.00 O ATOM 0 H SER A 33 15.324 1.633 -2.443 1.00 0.00 H new ATOM 0 HA SER A 33 14.558 2.130 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.660 3.116 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.236 1.545 -3.892 1.00 0.00 H new ATOM 0 HG SER A 33 18.074 2.144 -5.966 1.00 0.00 H new ATOM 429 N ASP A 34 15.236 -0.898 -4.051 1.00 0.00 N ATOM 430 CA ASP A 34 15.172 -2.308 -4.490 1.00 0.00 C ATOM 431 C ASP A 34 13.961 -3.055 -3.952 1.00 0.00 C ATOM 432 O ASP A 34 14.067 -4.236 -3.622 1.00 0.00 O ATOM 433 CB ASP A 34 16.430 -3.106 -4.117 1.00 0.00 C ATOM 434 CG ASP A 34 17.602 -2.818 -5.026 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.175 -1.717 -4.947 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.957 -3.704 -5.833 1.00 0.00 O ATOM 0 H ASP A 34 15.441 -0.753 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 34 15.091 -2.239 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.709 -2.875 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.202 -4.171 -4.153 1.00 0.00 H new ATOM 441 N ILE A 35 12.810 -2.404 -3.851 1.00 0.00 N ATOM 442 CA ILE A 35 11.610 -3.124 -3.455 1.00 0.00 C ATOM 443 C ILE A 35 10.479 -2.857 -4.433 1.00 0.00 C ATOM 444 O ILE A 35 10.592 -1.993 -5.304 1.00 0.00 O ATOM 445 CB ILE A 35 11.145 -2.771 -2.019 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.184 -1.569 -2.021 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.336 -2.519 -1.099 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.623 -1.251 -0.658 1.00 0.00 C ATOM 0 H ILE A 35 12.683 -1.408 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 35 11.869 -4.183 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 35 10.599 -3.631 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.709 -0.694 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.361 -1.772 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.978 -2.274 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.956 -3.414 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.926 -1.689 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.954 -0.394 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.070 -2.112 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.439 -1.017 0.026 1.00 0.00 H new ATOM 460 N GLU A 36 9.405 -3.620 -4.306 1.00 0.00 N ATOM 461 CA GLU A 36 8.287 -3.497 -5.183 1.00 0.00 C ATOM 462 C GLU A 36 6.989 -3.628 -4.399 1.00 0.00 C ATOM 463 O GLU A 36 6.733 -4.649 -3.761 1.00 0.00 O ATOM 464 CB GLU A 36 8.417 -4.592 -6.191 1.00 0.00 C ATOM 465 CG GLU A 36 8.463 -4.114 -7.637 1.00 0.00 C ATOM 466 CD GLU A 36 7.178 -3.469 -8.103 1.00 0.00 C ATOM 467 OE1 GLU A 36 6.987 -2.260 -7.860 1.00 0.00 O ATOM 468 OE2 GLU A 36 6.370 -4.169 -8.742 1.00 0.00 O ATOM 0 H GLU A 36 9.299 -4.337 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 36 8.268 -2.523 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.324 -5.158 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.578 -5.278 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.279 -3.400 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.690 -4.962 -8.284 1.00 0.00 H new ATOM 475 N VAL A 37 6.194 -2.587 -4.454 1.00 0.00 N ATOM 476 CA VAL A 37 4.949 -2.495 -3.676 1.00 0.00 C ATOM 477 C VAL A 37 3.803 -1.947 -4.534 1.00 0.00 C ATOM 478 O VAL A 37 3.994 -1.022 -5.324 1.00 0.00 O ATOM 479 CB VAL A 37 5.128 -1.626 -2.380 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.428 -0.839 -2.418 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.950 -0.680 -2.164 1.00 0.00 C ATOM 0 H VAL A 37 6.379 -1.770 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 37 4.695 -3.507 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 37 5.164 -2.319 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.522 -0.248 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.269 -1.529 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.426 -0.175 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.113 -0.097 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.862 -0.007 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.032 -1.259 -2.063 1.00 0.00 H new ATOM 491 N ASP A 38 2.615 -2.534 -4.382 1.00 0.00 N ATOM 492 CA ASP A 38 1.433 -2.072 -5.107 1.00 0.00 C ATOM 493 C ASP A 38 0.221 -2.054 -4.175 1.00 0.00 C ATOM 494 O ASP A 38 0.218 -2.706 -3.129 1.00 0.00 O ATOM 495 CB ASP A 38 1.114 -2.983 -6.316 1.00 0.00 C ATOM 496 CG ASP A 38 2.208 -3.032 -7.361 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.404 -2.030 -8.080 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.848 -4.097 -7.496 1.00 0.00 O ATOM 0 H ASP A 38 2.447 -3.328 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 38 1.647 -1.067 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.926 -3.994 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.194 -2.636 -6.786 1.00 0.00 H new ATOM 503 N LEU A 39 -0.812 -1.326 -4.582 1.00 0.00 N ATOM 504 CA LEU A 39 -2.073 -1.290 -3.841 1.00 0.00 C ATOM 505 C LEU A 39 -3.124 -2.104 -4.602 1.00 0.00 C ATOM 506 O LEU A 39 -3.311 -1.919 -5.809 1.00 0.00 O ATOM 507 CB LEU A 39 -2.545 0.155 -3.593 1.00 0.00 C ATOM 508 CG LEU A 39 -2.017 0.817 -2.297 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.514 1.047 -2.348 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.733 2.130 -2.025 1.00 0.00 C ATOM 0 H LEU A 39 -0.804 -0.750 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.921 -1.736 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.243 0.768 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.635 0.163 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.224 0.124 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.186 1.513 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.004 0.092 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.274 1.701 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.343 2.574 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.569 2.813 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.801 1.945 -1.912 1.00 0.00 H new ATOM 522 N LEU A 40 -3.775 -3.032 -3.901 1.00 0.00 N ATOM 523 CA LEU A 40 -4.641 -4.029 -4.536 1.00 0.00 C ATOM 524 C LEU A 40 -6.077 -4.012 -4.012 1.00 0.00 C ATOM 525 O LEU A 40 -6.392 -3.370 -3.011 1.00 0.00 O ATOM 526 CB LEU A 40 -4.113 -5.446 -4.295 1.00 0.00 C ATOM 527 CG LEU A 40 -2.675 -5.754 -4.711 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.516 -7.260 -4.829 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.292 -5.089 -6.026 1.00 0.00 C ATOM 0 H LEU A 40 -3.719 -3.115 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.637 -3.764 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.206 -5.661 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.769 -6.141 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.009 -5.351 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.494 -7.496 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.731 -7.725 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.209 -7.641 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.261 -5.341 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.953 -5.442 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.388 -4.008 -5.928 1.00 0.00 H new ATOM 541 N LYS A 41 -6.925 -4.766 -4.720 1.00 0.00 N ATOM 542 CA LYS A 41 -8.283 -5.084 -4.302 1.00 0.00 C ATOM 543 C LYS A 41 -8.458 -6.582 -4.353 1.00 0.00 C ATOM 544 O LYS A 41 -8.573 -7.132 -5.446 1.00 0.00 O ATOM 545 CB LYS A 41 -9.324 -4.498 -5.262 1.00 0.00 C ATOM 546 CG LYS A 41 -8.884 -3.192 -5.900 1.00 0.00 C ATOM 547 CD LYS A 41 -9.873 -2.629 -6.978 1.00 0.00 C ATOM 548 CE LYS A 41 -11.376 -2.527 -6.581 1.00 0.00 C ATOM 549 NZ LYS A 41 -12.244 -2.537 -7.784 1.00 0.00 N ATOM 0 H LYS A 41 -6.675 -5.178 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.428 -4.671 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.535 -5.225 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.256 -4.334 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.756 -2.445 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.908 -3.339 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.531 -1.634 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.800 -3.258 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.641 -3.360 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.545 -1.612 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.240 -2.468 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.004 -1.728 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.097 -3.422 -8.311 1.00 0.00 H new ATOM 563 N ASN A 42 -8.526 -7.240 -3.204 1.00 0.00 N ATOM 564 CA ASN A 42 -8.689 -8.696 -3.160 1.00 0.00 C ATOM 565 C ASN A 42 -7.721 -9.368 -4.140 1.00 0.00 C ATOM 566 O ASN A 42 -8.103 -10.256 -4.907 1.00 0.00 O ATOM 567 CB ASN A 42 -10.145 -9.076 -3.519 1.00 0.00 C ATOM 568 CG ASN A 42 -11.194 -8.091 -3.043 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.888 -8.328 -2.061 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.322 -6.981 -3.769 1.00 0.00 N ATOM 0 H ASN A 42 -8.471 -6.794 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.467 -9.042 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.224 -9.174 -4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.366 -10.055 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.022 -6.283 -3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.720 -6.829 -4.578 1.00 0.00 H new ATOM 577 N GLY A 43 -6.468 -8.928 -4.104 1.00 0.00 N ATOM 578 CA GLY A 43 -5.464 -9.465 -5.003 1.00 0.00 C ATOM 579 C GLY A 43 -5.582 -8.976 -6.443 1.00 0.00 C ATOM 580 O GLY A 43 -5.137 -9.667 -7.363 1.00 0.00 O ATOM 0 H GLY A 43 -6.129 -8.207 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.476 -9.204 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.531 -10.553 -4.995 1.00 0.00 H new ATOM 584 N GLU A 44 -6.160 -7.799 -6.652 1.00 0.00 N ATOM 585 CA GLU A 44 -6.315 -7.249 -7.999 1.00 0.00 C ATOM 586 C GLU A 44 -5.748 -5.827 -8.048 1.00 0.00 C ATOM 587 O GLU A 44 -6.133 -4.972 -7.256 1.00 0.00 O ATOM 588 CB GLU A 44 -7.794 -7.266 -8.424 1.00 0.00 C ATOM 589 CG GLU A 44 -8.034 -6.893 -9.889 1.00 0.00 C ATOM 590 CD GLU A 44 -7.346 -7.838 -10.860 1.00 0.00 C ATOM 591 OE1 GLU A 44 -8.042 -8.438 -11.705 1.00 0.00 O ATOM 592 OE2 GLU A 44 -6.108 -7.988 -10.784 1.00 0.00 O ATOM 0 H GLU A 44 -6.529 -7.206 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.759 -7.870 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.200 -8.261 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.350 -6.575 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.106 -6.893 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.677 -5.878 -10.063 1.00 0.00 H new ATOM 599 N ARG A 45 -4.799 -5.607 -8.953 1.00 0.00 N ATOM 600 CA ARG A 45 -4.100 -4.325 -9.075 1.00 0.00 C ATOM 601 C ARG A 45 -5.081 -3.179 -9.344 1.00 0.00 C ATOM 602 O ARG A 45 -5.853 -3.217 -10.303 1.00 0.00 O ATOM 603 CB ARG A 45 -3.064 -4.418 -10.217 1.00 0.00 C ATOM 604 CG ARG A 45 -1.797 -3.593 -10.001 1.00 0.00 C ATOM 605 CD ARG A 45 -0.782 -3.738 -11.145 1.00 0.00 C ATOM 606 NE ARG A 45 -1.122 -2.890 -12.287 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.242 -2.130 -12.932 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.027 -2.094 -12.538 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.630 -1.411 -13.977 1.00 0.00 N ATOM 0 H ARG A 45 -4.490 -6.310 -9.624 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.594 -4.113 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.782 -5.463 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.537 -4.096 -11.145 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.068 -2.543 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.327 -3.897 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.213 -3.478 -10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.742 -4.779 -11.465 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.090 -2.881 -12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.329 -2.651 -11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.699 -1.510 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.602 -1.442 -14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.044 -0.827 -14.473 1.00 0.00 H new ATOM 623 N ILE A 46 -5.040 -2.169 -8.464 1.00 0.00 N ATOM 624 CA ILE A 46 -5.885 -0.984 -8.577 1.00 0.00 C ATOM 625 C ILE A 46 -5.468 -0.136 -9.766 1.00 0.00 C ATOM 626 O ILE A 46 -6.195 -0.092 -10.747 1.00 0.00 O ATOM 627 CB ILE A 46 -5.808 -0.127 -7.299 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.207 -0.979 -6.089 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.701 1.117 -7.402 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.108 -0.283 -4.754 1.00 0.00 C ATOM 0 H ILE A 46 -4.418 -2.156 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.910 -1.328 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.782 0.220 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.233 -1.321 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.575 -1.867 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.622 1.698 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.379 1.727 -8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.736 0.810 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.411 -0.969 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.079 0.034 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.762 0.589 -4.749 1.00 0.00 H new ATOM 642 N GLU A 47 -4.356 0.609 -9.586 1.00 0.00 N ATOM 643 CA GLU A 47 -3.588 1.283 -10.666 1.00 0.00 C ATOM 644 C GLU A 47 -3.186 2.689 -10.252 1.00 0.00 C ATOM 645 O GLU A 47 -2.042 3.094 -10.450 1.00 0.00 O ATOM 646 CB GLU A 47 -4.345 1.440 -11.994 1.00 0.00 C ATOM 647 CG GLU A 47 -4.344 0.240 -12.915 1.00 0.00 C ATOM 648 CD GLU A 47 -5.616 0.117 -13.726 1.00 0.00 C ATOM 649 OE1 GLU A 47 -6.234 -0.966 -13.713 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.997 1.106 -14.389 1.00 0.00 O ATOM 0 H GLU A 47 -3.953 0.765 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.733 0.624 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.380 1.697 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.917 2.285 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.493 0.309 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.208 -0.665 -12.323 1.00 0.00 H new ATOM 657 N LYS A 48 -4.135 3.434 -9.686 1.00 0.00 N ATOM 658 CA LYS A 48 -3.964 4.871 -9.447 1.00 0.00 C ATOM 659 C LYS A 48 -3.049 5.124 -8.252 1.00 0.00 C ATOM 660 O LYS A 48 -3.438 5.807 -7.306 1.00 0.00 O ATOM 661 CB LYS A 48 -5.322 5.549 -9.159 1.00 0.00 C ATOM 662 CG LYS A 48 -6.483 5.162 -10.089 1.00 0.00 C ATOM 663 CD LYS A 48 -6.132 5.345 -11.558 1.00 0.00 C ATOM 664 CE LYS A 48 -5.929 6.814 -11.906 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.209 7.570 -11.886 1.00 0.00 N ATOM 0 H LYS A 48 -5.036 3.065 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.521 5.291 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.611 5.316 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.184 6.629 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.758 4.122 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.356 5.768 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.224 4.787 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.927 4.930 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.232 7.262 -11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.476 6.894 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.059 8.517 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.921 7.063 -12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.544 7.660 -10.905 1.00 0.00 H new ATOM 679 N VAL A 49 -1.841 4.607 -8.299 1.00 0.00 N ATOM 680 CA VAL A 49 -0.929 4.730 -7.181 1.00 0.00 C ATOM 681 C VAL A 49 0.363 5.379 -7.663 1.00 0.00 C ATOM 682 O VAL A 49 0.953 4.950 -8.656 1.00 0.00 O ATOM 683 CB VAL A 49 -0.672 3.354 -6.500 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.765 2.885 -6.638 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.053 3.413 -5.036 1.00 0.00 C ATOM 0 H VAL A 49 -1.466 4.097 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.378 5.366 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.298 2.628 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.882 1.921 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.015 2.784 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.431 3.613 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.868 2.444 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.456 4.175 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.110 3.663 -4.945 1.00 0.00 H new ATOM 695 N GLU A 50 0.762 6.446 -6.990 1.00 0.00 N ATOM 696 CA GLU A 50 1.921 7.229 -7.413 1.00 0.00 C ATOM 697 C GLU A 50 2.599 7.922 -6.240 1.00 0.00 C ATOM 698 O GLU A 50 2.002 8.788 -5.606 1.00 0.00 O ATOM 699 CB GLU A 50 1.496 8.288 -8.438 1.00 0.00 C ATOM 700 CG GLU A 50 1.384 7.761 -9.853 1.00 0.00 C ATOM 701 CD GLU A 50 2.729 7.346 -10.412 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.038 6.139 -10.404 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.483 8.231 -10.865 1.00 0.00 O ATOM 0 H GLU A 50 0.303 6.793 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 50 2.632 6.534 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.534 8.704 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.216 9.106 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.706 6.908 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.947 8.528 -10.492 1.00 0.00 H new ATOM 921 N LEU A 64 8.192 4.681 4.024 1.00 0.00 N ATOM 922 CA LEU A 64 7.755 4.439 2.648 1.00 0.00 C ATOM 923 C LEU A 64 6.245 4.333 2.625 1.00 0.00 C ATOM 924 O LEU A 64 5.659 3.516 3.342 1.00 0.00 O ATOM 925 CB LEU A 64 8.347 3.120 2.135 1.00 0.00 C ATOM 926 CG LEU A 64 9.682 3.208 1.392 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.291 1.818 1.256 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.480 3.836 0.015 1.00 0.00 C ATOM 0 HA LEU A 64 8.091 5.260 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.475 2.451 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.618 2.656 1.471 1.00 0.00 H new ATOM 0 HG LEU A 64 10.364 3.838 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.241 1.887 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.458 1.395 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.610 1.176 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.437 3.893 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.789 3.225 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.069 4.839 0.129 1.00 0.00 H new ATOM 940 N LEU A 65 5.618 5.165 1.815 1.00 0.00 N ATOM 941 CA LEU A 65 4.176 5.180 1.697 1.00 0.00 C ATOM 942 C LEU A 65 3.762 5.537 0.277 1.00 0.00 C ATOM 943 O LEU A 65 4.446 6.291 -0.409 1.00 0.00 O ATOM 944 CB LEU A 65 3.598 6.204 2.678 1.00 0.00 C ATOM 945 CG LEU A 65 2.112 6.529 2.506 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.266 5.287 2.697 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.693 7.621 3.480 1.00 0.00 C ATOM 0 H LEU A 65 6.094 5.846 1.223 1.00 0.00 H new ATOM 0 HA LEU A 65 3.790 4.188 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.755 5.836 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.166 7.130 2.584 1.00 0.00 H new ATOM 0 HG LEU A 65 1.954 6.893 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.214 5.541 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.550 4.537 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.425 4.889 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.634 7.841 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.867 7.284 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.278 8.521 3.291 1.00 0.00 H new ATOM 959 N TYR A 66 2.641 4.987 -0.153 1.00 0.00 N ATOM 960 CA TYR A 66 2.075 5.290 -1.453 1.00 0.00 C ATOM 961 C TYR A 66 0.596 5.619 -1.286 1.00 0.00 C ATOM 962 O TYR A 66 -0.005 5.234 -0.282 1.00 0.00 O ATOM 963 CB TYR A 66 2.248 4.089 -2.390 1.00 0.00 C ATOM 964 CG TYR A 66 3.693 3.852 -2.811 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.159 4.301 -4.045 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.591 3.191 -1.978 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.469 4.096 -4.434 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.908 2.986 -2.364 1.00 0.00 C ATOM 969 CZ TYR A 66 6.338 3.440 -3.592 1.00 0.00 C ATOM 970 OH TYR A 66 7.642 3.233 -3.981 1.00 0.00 O ATOM 0 H TYR A 66 2.097 4.317 0.391 1.00 0.00 H new ATOM 0 HA TYR A 66 2.590 6.146 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.870 3.194 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.638 4.242 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.484 4.819 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.257 2.832 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.810 4.449 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.593 2.473 -1.705 1.00 0.00 H new ATOM 0 HH TYR A 66 8.123 2.757 -3.272 1.00 0.00 H new ATOM 980 N TYR A 67 -0.003 6.311 -2.250 1.00 0.00 N ATOM 981 CA TYR A 67 -1.410 6.670 -2.122 1.00 0.00 C ATOM 982 C TYR A 67 -2.200 6.386 -3.399 1.00 0.00 C ATOM 983 O TYR A 67 -1.708 6.600 -4.509 1.00 0.00 O ATOM 984 CB TYR A 67 -1.608 8.132 -1.669 1.00 0.00 C ATOM 985 CG TYR A 67 -0.653 9.168 -2.251 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.286 9.791 -1.432 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.703 9.551 -3.592 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.142 10.757 -1.927 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.155 10.516 -4.091 1.00 0.00 C ATOM 990 CZ TYR A 67 1.073 11.114 -3.256 1.00 0.00 C ATOM 991 OH TYR A 67 1.929 12.073 -3.750 1.00 0.00 O ATOM 0 H TYR A 67 0.450 6.627 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.809 6.028 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.626 8.430 -1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.524 8.165 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.346 9.514 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.422 9.087 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.862 11.230 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.105 10.799 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 67 1.752 12.209 -4.704 1.00 0.00 H new ATOM 1001 N THR A 68 -3.421 5.876 -3.219 1.00 0.00 N ATOM 1002 CA THR A 68 -4.335 5.613 -4.325 1.00 0.00 C ATOM 1003 C THR A 68 -5.745 6.072 -3.937 1.00 0.00 C ATOM 1004 O THR A 68 -6.163 5.922 -2.782 1.00 0.00 O ATOM 1005 CB THR A 68 -4.351 4.107 -4.723 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.802 3.964 -6.071 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.256 3.272 -3.835 1.00 0.00 C ATOM 0 H THR A 68 -3.800 5.635 -2.303 1.00 0.00 H new ATOM 0 HA THR A 68 -3.986 6.172 -5.193 1.00 0.00 H new ATOM 0 HB THR A 68 -3.329 3.748 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.672 4.809 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.226 2.232 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.915 3.339 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.278 3.645 -3.904 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.441 6.696 -4.883 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.827 7.131 -4.681 1.00 0.00 C ATOM 1017 C GLU A 69 -8.740 5.921 -4.450 1.00 0.00 C ATOM 1018 O GLU A 69 -8.733 4.983 -5.248 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.319 7.918 -5.916 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.733 8.467 -5.790 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.123 9.277 -7.007 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.789 10.482 -7.051 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.739 8.713 -7.932 1.00 0.00 O ATOM 0 H GLU A 69 -6.067 6.915 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.862 7.775 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.635 8.747 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.272 7.267 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.434 7.643 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.805 9.090 -4.899 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.519 5.930 -3.367 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.430 4.824 -3.100 1.00 0.00 C ATOM 1032 C PHE A 70 -11.852 5.301 -2.878 1.00 0.00 C ATOM 1033 O PHE A 70 -12.083 6.466 -2.578 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.951 3.991 -1.896 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.135 4.591 -0.511 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.065 4.651 0.364 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.366 5.053 -0.072 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.223 5.158 1.647 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.525 5.566 1.200 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.456 5.615 2.061 1.00 0.00 C ATOM 0 H PHE A 70 -9.536 6.678 -2.674 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.428 4.190 -3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.472 3.034 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.890 3.780 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.095 4.299 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.216 5.011 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.380 5.194 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.491 5.929 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.581 6.010 3.058 1.00 0.00 H new ATOM 1050 N THR A 71 -12.796 4.398 -3.074 1.00 0.00 N ATOM 1051 CA THR A 71 -14.162 4.593 -2.617 1.00 0.00 C ATOM 1052 C THR A 71 -14.716 3.277 -2.065 1.00 0.00 C ATOM 1053 O THR A 71 -15.008 2.365 -2.837 1.00 0.00 O ATOM 1054 CB THR A 71 -15.037 5.102 -3.780 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.431 6.275 -4.345 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.445 5.433 -3.309 1.00 0.00 C ATOM 0 H THR A 71 -12.639 3.511 -3.553 1.00 0.00 H new ATOM 0 HA THR A 71 -14.174 5.338 -1.822 1.00 0.00 H new ATOM 0 HB THR A 71 -15.108 4.314 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.982 6.603 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.037 5.789 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.909 4.539 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.400 6.209 -2.544 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.861 3.137 -0.722 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.230 1.855 -0.134 1.00 0.00 C ATOM 1066 C PRO A 72 -16.665 1.465 -0.410 1.00 0.00 C ATOM 1067 O PRO A 72 -17.582 2.287 -0.384 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.003 2.015 1.372 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.652 3.455 1.616 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.705 4.195 0.301 1.00 0.00 C ATOM 0 HA PRO A 72 -14.629 1.058 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.899 1.737 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.201 1.360 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.348 3.898 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.657 3.533 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.539 4.896 0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.796 4.774 0.136 1.00 0.00 H new ATOM 1078 N THR A 73 -16.815 0.184 -0.661 1.00 0.00 N ATOM 1079 CA THR A 73 -18.088 -0.441 -0.935 1.00 0.00 C ATOM 1080 C THR A 73 -18.190 -1.691 -0.076 1.00 0.00 C ATOM 1081 O THR A 73 -17.169 -2.265 0.300 1.00 0.00 O ATOM 1082 CB THR A 73 -18.198 -0.823 -2.426 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.127 -1.710 -2.779 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.149 0.417 -3.311 1.00 0.00 C ATOM 0 H THR A 73 -16.032 -0.470 -0.681 1.00 0.00 H new ATOM 0 HA THR A 73 -18.897 0.253 -0.705 1.00 0.00 H new ATOM 0 HB THR A 73 -19.155 -1.321 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.201 -1.952 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.228 0.121 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.978 1.078 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.206 0.940 -3.153 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.410 -2.099 0.247 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.648 -3.280 1.080 1.00 0.00 C ATOM 1094 C GLU A 74 -19.044 -4.563 0.460 1.00 0.00 C ATOM 1095 O GLU A 74 -19.039 -5.621 1.085 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.171 -3.416 1.333 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.599 -4.753 1.903 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.111 -4.984 3.319 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.809 -3.996 4.020 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.044 -6.157 3.739 1.00 0.00 O ATOM 0 H GLU A 74 -20.261 -1.626 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.139 -3.149 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.484 -2.627 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.698 -3.251 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.687 -4.816 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.224 -5.551 1.262 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.521 -4.468 -0.757 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.997 -5.645 -1.437 1.00 0.00 C ATOM 1109 C LYS A 75 -16.474 -5.668 -1.659 1.00 0.00 C ATOM 1110 O LYS A 75 -15.920 -6.753 -1.840 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.704 -5.832 -2.782 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.199 -6.158 -2.689 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.479 -7.611 -2.281 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.119 -7.918 -0.828 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.726 -8.429 -0.676 1.00 0.00 N ATOM 0 H LYS A 75 -18.449 -3.600 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.203 -6.469 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.582 -4.922 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.206 -6.633 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.666 -5.489 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.667 -5.962 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.536 -7.827 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.917 -8.278 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.238 -7.014 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.817 -8.656 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.289 -8.001 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.745 -9.463 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.171 -8.180 -1.519 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.788 -4.526 -1.680 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.387 -4.525 -2.103 1.00 0.00 C ATOM 1131 C ASP A 76 -13.396 -4.460 -0.926 1.00 0.00 C ATOM 1132 O ASP A 76 -13.533 -3.653 -0.014 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.118 -3.377 -3.080 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.746 -3.487 -3.697 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.524 -4.467 -4.445 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.909 -2.597 -3.472 1.00 0.00 O ATOM 0 H ASP A 76 -16.164 -3.615 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.220 -5.479 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.873 -3.382 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.208 -2.425 -2.558 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.391 -5.324 -0.993 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.339 -5.456 0.018 1.00 0.00 C ATOM 1143 C GLU A 77 -10.064 -4.791 -0.509 1.00 0.00 C ATOM 1144 O GLU A 77 -9.714 -4.969 -1.675 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.158 -6.967 0.269 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.980 -7.414 1.119 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.681 -7.535 0.348 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.480 -8.583 -0.302 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.851 -6.623 0.413 1.00 0.00 O ATOM 0 H GLU A 77 -12.278 -5.972 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.589 -4.965 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.069 -7.339 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.076 -7.459 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.843 -6.704 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.215 -8.378 1.571 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.378 -4.030 0.339 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.191 -3.284 -0.097 1.00 0.00 C ATOM 1158 C TYR A 78 -6.929 -3.837 0.556 1.00 0.00 C ATOM 1159 O TYR A 78 -6.858 -3.965 1.782 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.327 -1.792 0.239 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.386 -1.070 -0.562 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.737 -1.226 -0.273 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -9.031 -0.227 -1.608 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.703 -0.561 -1.008 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.992 0.440 -2.344 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.325 0.268 -2.042 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.283 0.933 -2.772 1.00 0.00 O ATOM 0 H TYR A 78 -9.617 -3.911 1.324 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.112 -3.400 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.557 -1.690 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.366 -1.305 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.037 -1.875 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.987 -0.091 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.749 -0.691 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.699 1.093 -3.153 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.849 1.476 -3.463 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.929 -4.143 -0.266 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.705 -4.784 0.202 1.00 0.00 C ATOM 1179 C ALA A 79 -3.459 -4.083 -0.346 1.00 0.00 C ATOM 1180 O ALA A 79 -3.542 -3.334 -1.313 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.708 -6.242 -0.228 1.00 0.00 C ATOM 0 H ALA A 79 -5.944 -3.955 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.674 -4.714 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.795 -6.726 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.573 -6.747 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.758 -6.301 -1.315 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.308 -4.309 0.283 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.046 -3.798 -0.248 1.00 0.00 C ATOM 1189 C CYS A 80 -0.030 -4.938 -0.397 1.00 0.00 C ATOM 1190 O CYS A 80 0.189 -5.706 0.539 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.501 -2.683 0.649 1.00 0.00 C ATOM 1192 SG CYS A 80 1.148 -2.068 0.176 1.00 0.00 S ATOM 0 H CYS A 80 -2.222 -4.837 1.152 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.225 -3.375 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.203 -1.849 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.458 -3.048 1.675 1.00 0.00 H new ATOM 1197 N ARG A 81 0.544 -5.067 -1.593 1.00 0.00 N ATOM 1198 CA ARG A 81 1.460 -6.166 -1.932 1.00 0.00 C ATOM 1199 C ARG A 81 2.908 -5.674 -1.954 1.00 0.00 C ATOM 1200 O ARG A 81 3.195 -4.664 -2.590 1.00 0.00 O ATOM 1201 CB ARG A 81 1.097 -6.677 -3.326 1.00 0.00 C ATOM 1202 CG ARG A 81 1.627 -8.069 -3.694 1.00 0.00 C ATOM 1203 CD ARG A 81 1.019 -8.540 -5.021 1.00 0.00 C ATOM 1204 NE ARG A 81 1.363 -7.599 -6.091 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.022 -7.731 -7.371 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.267 -8.743 -7.772 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.428 -6.827 -8.256 1.00 0.00 N ATOM 0 H ARG A 81 0.389 -4.412 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 81 1.367 -6.955 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.011 -6.689 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.469 -5.963 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.714 -8.042 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.383 -8.778 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.389 -9.535 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.064 -8.617 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 81 1.908 -6.776 -5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.061 -9.434 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.013 -8.832 -8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.998 -6.037 -7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.170 -6.923 -9.238 1.00 0.00 H new ATOM 1221 N VAL A 82 3.818 -6.378 -1.285 1.00 0.00 N ATOM 1222 CA VAL A 82 5.228 -5.988 -1.326 1.00 0.00 C ATOM 1223 C VAL A 82 6.137 -7.185 -1.573 1.00 0.00 C ATOM 1224 O VAL A 82 5.912 -8.282 -1.057 1.00 0.00 O ATOM 1225 CB VAL A 82 5.682 -5.237 -0.047 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.055 -6.202 1.068 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.842 -4.308 -0.368 1.00 0.00 C ATOM 0 H VAL A 82 3.614 -7.202 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 82 5.318 -5.298 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 82 4.842 -4.641 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.368 -5.639 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.192 -6.818 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.873 -6.842 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.152 -3.786 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.678 -4.890 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.529 -3.580 -1.117 1.00 0.00 H new ATOM 1237 N ASN A 83 7.143 -6.953 -2.398 1.00 0.00 N ATOM 1238 CA ASN A 83 8.127 -7.970 -2.725 1.00 0.00 C ATOM 1239 C ASN A 83 9.527 -7.394 -2.687 1.00 0.00 C ATOM 1240 O ASN A 83 9.754 -6.236 -3.048 1.00 0.00 O ATOM 1241 CB ASN A 83 7.827 -8.576 -4.100 1.00 0.00 C ATOM 1242 CG ASN A 83 8.733 -9.745 -4.443 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.184 -10.479 -3.563 1.00 0.00 O ATOM 1244 ND2 ASN A 83 8.998 -9.930 -5.726 1.00 0.00 N ATOM 0 H ASN A 83 7.301 -6.057 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 83 8.068 -8.761 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.789 -8.908 -4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.934 -7.804 -4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.596 -10.704 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.604 -9.299 -6.424 1.00 0.00 H new ATOM 1251 N HIS A 84 10.449 -8.211 -2.216 1.00 0.00 N ATOM 1252 CA HIS A 84 11.848 -7.852 -2.137 1.00 0.00 C ATOM 1253 C HIS A 84 12.671 -9.034 -2.634 1.00 0.00 C ATOM 1254 O HIS A 84 12.181 -10.163 -2.619 1.00 0.00 O ATOM 1255 CB HIS A 84 12.221 -7.503 -0.687 1.00 0.00 C ATOM 1256 CG HIS A 84 13.601 -6.943 -0.512 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.710 -7.754 -0.501 1.00 0.00 N ATOM 1258 CD2 HIS A 84 13.989 -5.665 -0.304 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.739 -6.956 -0.288 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.352 -5.680 -0.159 1.00 0.00 N ATOM 0 H HIS A 84 10.244 -9.150 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 84 12.050 -6.977 -2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.500 -6.781 -0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.128 -8.401 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.347 -4.797 -0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.764 -7.290 -0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.955 -4.875 0.014 1.00 0.00 H new ATOM 1268 N VAL A 85 13.893 -8.784 -3.081 1.00 0.00 N ATOM 1269 CA VAL A 85 14.766 -9.855 -3.580 1.00 0.00 C ATOM 1270 C VAL A 85 14.883 -11.016 -2.580 1.00 0.00 C ATOM 1271 O VAL A 85 14.988 -12.180 -2.974 1.00 0.00 O ATOM 1272 CB VAL A 85 16.183 -9.328 -3.915 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.081 -10.447 -4.433 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.107 -8.198 -4.927 1.00 0.00 C ATOM 0 H VAL A 85 14.309 -7.853 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 85 14.298 -10.225 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 85 16.622 -8.943 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.069 -10.046 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.170 -11.223 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.647 -10.873 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.112 -7.841 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.639 -8.560 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.514 -7.381 -4.516 1.00 0.00 H new ATOM 1284 N THR A 86 14.823 -10.704 -1.289 1.00 0.00 N ATOM 1285 CA THR A 86 15.010 -11.731 -0.258 1.00 0.00 C ATOM 1286 C THR A 86 13.836 -12.713 -0.230 1.00 0.00 C ATOM 1287 O THR A 86 14.046 -13.927 -0.240 1.00 0.00 O ATOM 1288 CB THR A 86 15.241 -11.129 1.157 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.273 -12.168 2.146 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.168 -10.111 1.524 1.00 0.00 C ATOM 0 H THR A 86 14.649 -9.765 -0.931 1.00 0.00 H new ATOM 0 HA THR A 86 15.916 -12.272 -0.532 1.00 0.00 H new ATOM 0 HB THR A 86 16.202 -10.616 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.421 -11.773 3.031 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.367 -9.715 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.178 -9.295 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.190 -10.593 1.514 1.00 0.00 H new ATOM 1298 N LEU A 87 12.608 -12.196 -0.185 1.00 0.00 N ATOM 1299 CA LEU A 87 11.419 -13.055 -0.208 1.00 0.00 C ATOM 1300 C LEU A 87 11.347 -13.856 -1.508 1.00 0.00 C ATOM 1301 O LEU A 87 11.921 -13.472 -2.529 1.00 0.00 O ATOM 1302 CB LEU A 87 10.131 -12.231 -0.079 1.00 0.00 C ATOM 1303 CG LEU A 87 10.128 -11.150 1.001 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.897 -10.281 0.860 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.188 -11.771 2.390 1.00 0.00 C ATOM 0 H LEU A 87 12.409 -11.197 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 87 11.505 -13.732 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.930 -11.756 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.305 -12.915 0.118 1.00 0.00 H new ATOM 0 HG LEU A 87 11.014 -10.529 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.903 -9.513 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.897 -9.807 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.003 -10.896 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.185 -10.982 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.322 -12.416 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.100 -12.360 2.486 1.00 0.00 H new ATOM 1317 N SER A 88 10.643 -14.976 -1.456 1.00 0.00 N ATOM 1318 CA SER A 88 10.366 -15.769 -2.642 1.00 0.00 C ATOM 1319 C SER A 88 8.882 -15.649 -2.978 1.00 0.00 C ATOM 1320 O SER A 88 8.402 -16.178 -3.983 1.00 0.00 O ATOM 1321 CB SER A 88 10.745 -17.232 -2.400 1.00 0.00 C ATOM 1322 OG SER A 88 10.595 -18.009 -3.578 1.00 0.00 O ATOM 0 H SER A 88 10.250 -15.359 -0.596 1.00 0.00 H new ATOM 0 HA SER A 88 10.959 -15.401 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.777 -17.289 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.120 -17.645 -1.608 1.00 0.00 H new ATOM 0 HG SER A 88 9.855 -17.653 -4.112 1.00 0.00 H new ATOM 1328 N GLN A 89 8.173 -14.947 -2.105 1.00 0.00 N ATOM 1329 CA GLN A 89 6.747 -14.724 -2.248 1.00 0.00 C ATOM 1330 C GLN A 89 6.364 -13.370 -1.633 1.00 0.00 C ATOM 1331 O GLN A 89 6.638 -13.128 -0.457 1.00 0.00 O ATOM 1332 CB GLN A 89 5.951 -15.870 -1.580 1.00 0.00 C ATOM 1333 CG GLN A 89 6.146 -16.010 -0.064 1.00 0.00 C ATOM 1334 CD GLN A 89 7.537 -16.473 0.337 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.435 -15.662 0.571 1.00 0.00 O ATOM 1336 NE2 GLN A 89 7.723 -17.778 0.429 1.00 0.00 N ATOM 0 H GLN A 89 8.576 -14.515 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 89 6.497 -14.709 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.890 -15.718 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.233 -16.810 -2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.943 -15.049 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.412 -16.717 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.955 -18.418 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.635 -18.145 0.702 1.00 0.00 H new ATOM 1345 N PRO A 90 5.775 -12.439 -2.418 1.00 0.00 N ATOM 1346 CA PRO A 90 5.281 -11.174 -1.862 1.00 0.00 C ATOM 1347 C PRO A 90 4.107 -11.388 -0.933 1.00 0.00 C ATOM 1348 O PRO A 90 3.403 -12.398 -1.025 1.00 0.00 O ATOM 1349 CB PRO A 90 4.839 -10.353 -3.067 1.00 0.00 C ATOM 1350 CG PRO A 90 4.654 -11.339 -4.178 1.00 0.00 C ATOM 1351 CD PRO A 90 5.571 -12.523 -3.881 1.00 0.00 C ATOM 0 HA PRO A 90 6.055 -10.681 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.912 -9.818 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.587 -9.604 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.615 -11.662 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.904 -10.889 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.112 -13.469 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.513 -12.447 -4.423 1.00 0.00 H new ATOM 1359 N LYS A 91 3.888 -10.431 -0.052 1.00 0.00 N ATOM 1360 CA LYS A 91 2.825 -10.543 0.924 1.00 0.00 C ATOM 1361 C LYS A 91 1.684 -9.591 0.582 1.00 0.00 C ATOM 1362 O LYS A 91 1.897 -8.532 -0.013 1.00 0.00 O ATOM 1363 CB LYS A 91 3.327 -10.231 2.339 1.00 0.00 C ATOM 1364 CG LYS A 91 4.620 -10.940 2.754 1.00 0.00 C ATOM 1365 CD LYS A 91 4.540 -12.457 2.634 1.00 0.00 C ATOM 1366 CE LYS A 91 4.906 -13.128 3.953 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.014 -14.602 3.816 1.00 0.00 N ATOM 0 H LYS A 91 4.431 -9.570 0.007 1.00 0.00 H new ATOM 0 HA LYS A 91 2.468 -11.573 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.481 -9.155 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.544 -10.496 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.440 -10.576 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.856 -10.676 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.532 -12.750 2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.213 -12.799 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.853 -12.727 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.153 -12.888 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.264 -15.019 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.103 -14.989 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.751 -14.833 3.119 1.00 0.00 H new ATOM 1381 N ILE A 92 0.485 -9.994 0.953 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.677 -9.126 0.860 1.00 0.00 C ATOM 1383 C ILE A 92 -1.170 -8.764 2.253 1.00 0.00 C ATOM 1384 O ILE A 92 -1.362 -9.632 3.109 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.840 -9.723 0.004 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.862 -9.095 -1.392 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.190 -9.510 0.661 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.541 -7.624 -1.389 1.00 0.00 C ATOM 0 H ILE A 92 0.287 -10.923 1.324 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.351 -8.227 0.336 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.656 -10.794 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.145 -9.615 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.847 -9.244 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.972 -9.939 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.200 -9.995 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.370 -8.442 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.574 -7.242 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.272 -7.093 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.544 -7.470 -0.976 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.359 -7.477 2.472 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.893 -6.982 3.723 1.00 0.00 C ATOM 1402 C VAL A 93 -3.230 -6.325 3.459 1.00 0.00 C ATOM 1403 O VAL A 93 -3.322 -5.400 2.656 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.937 -5.975 4.394 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.594 -4.819 3.472 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.521 -5.456 5.698 1.00 0.00 C ATOM 0 H VAL A 93 -1.147 -6.749 1.790 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.012 -7.824 4.405 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.013 -6.510 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.081 -4.133 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.110 -5.202 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.507 -4.291 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.827 -4.748 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.470 -4.958 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.685 -6.290 6.380 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.268 -6.806 4.104 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.595 -6.317 3.815 1.00 0.00 C ATOM 1418 C LYS A 94 -6.096 -5.458 4.960 1.00 0.00 C ATOM 1419 O LYS A 94 -5.780 -5.707 6.127 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.534 -7.484 3.553 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.986 -8.452 2.518 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.575 -9.830 2.693 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.996 -10.505 3.920 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.598 -10.968 3.702 1.00 0.00 N ATOM 0 H LYS A 94 -4.220 -7.527 4.824 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.562 -5.699 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.713 -8.018 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.497 -7.102 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.209 -8.083 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.901 -8.504 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.659 -9.759 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.371 -10.434 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.020 -9.810 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.620 -11.356 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.315 -11.595 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.540 -11.486 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.961 -10.146 3.670 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.858 -4.440 4.618 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.339 -3.484 5.604 1.00 0.00 C ATOM 1440 C TRP A 95 -8.588 -4.030 6.297 1.00 0.00 C ATOM 1441 O TRP A 95 -9.562 -4.412 5.642 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.601 -2.118 4.933 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.118 -1.040 5.850 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.620 -0.666 7.074 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.228 -0.163 5.589 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.366 0.353 7.597 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.360 0.684 6.712 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.127 -0.014 4.520 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.355 1.650 6.803 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.109 0.951 4.607 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.222 1.771 5.737 1.00 0.00 C ATOM 0 H TRP A 95 -7.160 -4.250 3.663 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.577 -3.334 6.369 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.673 -1.771 4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.319 -2.260 4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.762 -1.113 7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.208 0.797 8.502 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.051 -0.644 3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.446 2.281 7.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.803 1.076 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.005 2.514 5.774 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.542 -4.067 7.628 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.620 -4.644 8.434 1.00 0.00 C ATOM 1464 C ASP A 96 -10.874 -3.778 8.360 1.00 0.00 C ATOM 1465 O ASP A 96 -10.950 -2.738 9.014 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.191 -4.786 9.900 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.102 -5.823 10.105 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.382 -7.028 9.950 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -6.962 -5.441 10.448 1.00 0.00 O ATOM 0 H ASP A 96 -7.763 -3.701 8.176 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.840 -5.632 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.838 -3.821 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.059 -5.056 10.502 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.849 -4.217 7.565 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.122 -3.507 7.432 1.00 0.00 C ATOM 1476 C ARG A 97 -14.023 -4.232 6.433 1.00 0.00 C ATOM 1477 O ARG A 97 -15.211 -3.936 6.322 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.880 -2.042 7.000 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.749 -1.822 5.483 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.094 -1.625 4.788 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.946 -1.511 3.343 1.00 0.00 N ATOM 1482 CZ ARG A 97 -14.929 -1.764 2.484 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.122 -2.141 2.927 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.723 -1.645 1.183 1.00 0.00 N ATOM 0 H ARG A 97 -11.782 -5.064 7.001 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.624 -3.493 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.702 -1.430 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.972 -1.682 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.122 -0.949 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.240 -2.678 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.750 -2.464 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.575 -0.727 5.176 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.041 -1.222 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.287 -2.237 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.874 -2.334 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.808 -1.358 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.479 -1.840 0.527 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.451 -5.201 5.736 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.159 -5.920 4.680 1.00 0.00 C ATOM 1500 C ASP A 98 -13.532 -7.303 4.465 1.00 0.00 C ATOM 1501 O ASP A 98 -14.121 -8.164 3.819 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.132 -5.112 3.377 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.994 -5.721 2.280 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.501 -6.601 1.539 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.171 -5.321 2.155 1.00 0.00 O ATOM 0 H ASP A 98 -12.491 -5.512 5.882 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.197 -6.054 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.474 -4.097 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.104 -5.037 3.024 1.00 0.00 H new ATOM 1510 N MET A 99 -12.356 -7.526 5.057 1.00 0.00 N ATOM 1511 CA MET A 99 -11.643 -8.790 4.883 1.00 0.00 C ATOM 1512 C MET A 99 -12.204 -9.825 5.848 1.00 0.00 C ATOM 1513 CB MET A 99 -10.123 -8.632 5.099 1.00 0.00 C ATOM 1514 CG MET A 99 -9.748 -7.985 6.435 1.00 0.00 C ATOM 1515 SD MET A 99 -7.979 -8.032 6.763 1.00 0.00 S ATOM 1516 CE MET A 99 -7.727 -9.790 6.997 1.00 0.00 C ATOM 0 H MET A 99 -11.881 -6.851 5.657 1.00 0.00 H new ATOM 0 HA MET A 99 -11.791 -9.121 3.855 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.654 -9.614 5.038 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.712 -8.031 4.288 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.086 -6.949 6.439 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.276 -8.495 7.241 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.729 -9.964 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.471 -10.174 7.695 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.828 -10.303 6.040 1.00 0.00 H new