USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 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 108 LYS NZ :NH3+ -160:sc= -0.0338 (180deg=-0.277) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.241 K(o=-0.27,f=-0.87) USER MOD Set 2.1: A 33 TYR OH : rot -91:sc= 0.502 USER MOD Set 2.2: A 61 SER OG : rot -4:sc= 1.37 USER MOD Set 2.3: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 ASN : amide:sc= -1.71 K(o=-1.6,f=-16!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.0741 K(o=-1.6,f=-6.2!) USER MOD Set 4.1: A 23 CYS SG : rot 149:sc= -0.71 USER MOD Set 4.2: A 26 CYS SG : rot -56:sc= -2.55! USER MOD Set 4.3: A 43 CYS SG : rot -130:sc= 0.223 USER MOD Set 4.4: A 46 CYS SG : rot 80:sc= -1.26 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -10.1! C(o=-16!,f=-17!) USER MOD Set 5.2: A 20 ASN : amide:sc= -5.39! C(o=-16!,f=-12!) USER MOD Set 6.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 76 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -173:sc= -10.1! (180deg=-10.8!) USER MOD Single : A 15 THR OG1 : rot -41:sc= 1.13 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.186 (180deg=-1.17) USER MOD Single : A 28 GLN : amide:sc= -0.243 K(o=-0.24,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -132:sc= -0.534 (180deg=-1.43) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0.00228 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -27:sc= 0.701 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00739 USER MOD Single : A 54 ASN : amide:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0654 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 69 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.55) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -1.49! C(o=-1.5!,f=-5.9!) USER MOD Single : A 80 ASN : amide:sc= -1.52 K(o=-1.5,f=-7.1!) USER MOD Single : A 83 CYS SG : rot -115:sc= -1.69 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.9!) USER MOD Single : A 106 LYS NZ :NH3+ -165:sc=-0.00251 (180deg=-0.135) USER MOD Single : A 114 LYS NZ :NH3+ -129:sc= -0.0049 (180deg=-0.759) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.354 -19.793 4.956 1.00 0.00 N ATOM 60 CA GLY A 7 2.651 -18.548 4.710 1.00 0.00 C ATOM 61 C GLY A 7 2.127 -17.916 5.984 1.00 0.00 C ATOM 62 O GLY A 7 2.326 -16.724 6.222 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.321 -17.849 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.819 -18.732 4.031 1.00 0.00 H new ATOM 66 N LEU A 8 1.455 -18.715 6.806 1.00 0.00 N ATOM 67 CA LEU A 8 0.900 -18.226 8.063 1.00 0.00 C ATOM 68 C LEU A 8 2.007 -17.758 9.002 1.00 0.00 C ATOM 69 O LEU A 8 1.975 -16.634 9.505 1.00 0.00 O ATOM 70 CB LEU A 8 0.073 -19.322 8.738 1.00 0.00 C ATOM 71 CG LEU A 8 -1.344 -19.521 8.200 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.211 -18.313 8.519 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.315 -19.778 6.701 1.00 0.00 C ATOM 0 H LEU A 8 1.282 -19.704 6.625 1.00 0.00 H new ATOM 0 HA LEU A 8 0.255 -17.376 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.611 -20.265 8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.008 -19.096 9.802 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.778 -20.393 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.216 -18.473 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.259 -18.175 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.780 -17.424 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.333 -19.917 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.861 -18.926 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.730 -20.675 6.497 1.00 0.00 H new ATOM 85 N LYS A 9 2.986 -18.625 9.233 1.00 0.00 N ATOM 86 CA LYS A 9 4.106 -18.300 10.108 1.00 0.00 C ATOM 87 C LYS A 9 4.611 -16.885 9.844 1.00 0.00 C ATOM 88 O LYS A 9 4.791 -16.097 10.771 1.00 0.00 O ATOM 89 CB LYS A 9 5.244 -19.304 9.909 1.00 0.00 C ATOM 90 CG LYS A 9 5.026 -20.621 10.633 1.00 0.00 C ATOM 91 CD LYS A 9 6.327 -21.390 10.796 1.00 0.00 C ATOM 92 CE LYS A 9 6.091 -22.763 11.404 1.00 0.00 C ATOM 93 NZ LYS A 9 7.292 -23.636 11.287 1.00 0.00 N ATOM 0 H LYS A 9 3.027 -19.559 8.826 1.00 0.00 H new ATOM 0 HA LYS A 9 3.756 -18.356 11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.362 -19.500 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.176 -18.858 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.590 -20.430 11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.311 -21.228 10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.810 -21.499 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.009 -20.823 11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.823 -22.653 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.246 -23.240 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.090 -24.563 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.533 -23.762 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.092 -23.194 11.783 1.00 0.00 H new ATOM 107 N MET A 10 4.835 -16.570 8.572 1.00 0.00 N ATOM 108 CA MET A 10 5.316 -15.248 8.187 1.00 0.00 C ATOM 109 C MET A 10 4.219 -14.201 8.349 1.00 0.00 C ATOM 110 O MET A 10 4.453 -13.122 8.894 1.00 0.00 O ATOM 111 CB MET A 10 5.811 -15.264 6.739 1.00 0.00 C ATOM 112 CG MET A 10 7.110 -16.030 6.549 1.00 0.00 C ATOM 113 SD MET A 10 7.872 -15.720 4.944 1.00 0.00 S ATOM 114 CE MET A 10 9.461 -15.063 5.445 1.00 0.00 C ATOM 0 H MET A 10 4.691 -17.211 7.792 1.00 0.00 H new ATOM 0 HA MET A 10 6.145 -14.985 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.042 -15.706 6.106 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.951 -14.238 6.400 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.809 -15.753 7.338 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.916 -17.097 6.655 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.050 -14.822 4.560 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.311 -14.161 6.038 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.990 -15.806 6.042 1.00 0.00 H new ATOM 124 N LEU A 11 3.022 -14.527 7.874 1.00 0.00 N ATOM 125 CA LEU A 11 1.888 -13.614 7.967 1.00 0.00 C ATOM 126 C LEU A 11 1.939 -12.812 9.263 1.00 0.00 C ATOM 127 O LEU A 11 1.774 -11.592 9.258 1.00 0.00 O ATOM 128 CB LEU A 11 0.574 -14.392 7.886 1.00 0.00 C ATOM 129 CG LEU A 11 -0.698 -13.551 7.768 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.906 -14.442 7.525 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.898 -12.708 9.019 1.00 0.00 C ATOM 0 H LEU A 11 2.812 -15.416 7.421 1.00 0.00 H new ATOM 0 HA LEU A 11 1.943 -12.919 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.624 -15.062 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.490 -15.018 8.774 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.589 -12.880 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.802 -13.826 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.765 -15.002 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.018 -15.138 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.808 -12.116 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.985 -13.361 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.045 -12.042 9.149 1.00 0.00 H new ATOM 143 N ARG A 12 2.169 -13.506 10.373 1.00 0.00 N ATOM 144 CA ARG A 12 2.243 -12.859 11.677 1.00 0.00 C ATOM 145 C ARG A 12 3.379 -11.842 11.716 1.00 0.00 C ATOM 146 O ARG A 12 3.190 -10.701 12.140 1.00 0.00 O ATOM 147 CB ARG A 12 2.441 -13.903 12.778 1.00 0.00 C ATOM 148 CG ARG A 12 2.370 -13.328 14.183 1.00 0.00 C ATOM 149 CD ARG A 12 3.028 -14.251 15.197 1.00 0.00 C ATOM 150 NE ARG A 12 4.483 -14.123 15.190 1.00 0.00 N ATOM 151 CZ ARG A 12 5.257 -14.478 16.210 1.00 0.00 C ATOM 152 NH1 ARG A 12 4.718 -14.980 17.312 1.00 0.00 N ATOM 153 NH2 ARG A 12 6.573 -14.331 16.128 1.00 0.00 N ATOM 0 H ARG A 12 2.307 -14.516 10.395 1.00 0.00 H new ATOM 0 HA ARG A 12 1.303 -12.335 11.848 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.682 -14.678 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.409 -14.385 12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.860 -12.355 14.204 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.328 -13.166 14.459 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.649 -14.024 16.193 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.754 -15.283 14.979 1.00 0.00 H new ATOM 0 HE ARG A 12 4.929 -13.740 14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.707 -15.095 17.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.315 -15.252 18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.991 -13.945 15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.166 -14.604 16.911 1.00 0.00 H new ATOM 167 N ASP A 13 4.558 -12.262 11.272 1.00 0.00 N ATOM 168 CA ASP A 13 5.725 -11.388 11.256 1.00 0.00 C ATOM 169 C ASP A 13 5.328 -9.957 10.907 1.00 0.00 C ATOM 170 O ASP A 13 5.828 -9.002 11.500 1.00 0.00 O ATOM 171 CB ASP A 13 6.760 -11.902 10.253 1.00 0.00 C ATOM 172 CG ASP A 13 8.100 -11.208 10.397 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.799 -11.470 11.398 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.450 -10.404 9.508 1.00 0.00 O ATOM 0 H ASP A 13 4.731 -13.203 10.918 1.00 0.00 H new ATOM 0 HA ASP A 13 6.164 -11.391 12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.893 -12.975 10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.385 -11.755 9.240 1.00 0.00 H new ATOM 179 N MET A 14 4.425 -9.818 9.941 1.00 0.00 N ATOM 180 CA MET A 14 3.961 -8.504 9.514 1.00 0.00 C ATOM 181 C MET A 14 3.167 -7.820 10.623 1.00 0.00 C ATOM 182 O MET A 14 3.571 -6.777 11.138 1.00 0.00 O ATOM 183 CB MET A 14 3.098 -8.628 8.256 1.00 0.00 C ATOM 184 CG MET A 14 3.840 -9.215 7.066 1.00 0.00 C ATOM 185 SD MET A 14 3.755 -11.015 7.014 1.00 0.00 S ATOM 186 CE MET A 14 2.772 -11.265 5.538 1.00 0.00 C ATOM 0 H MET A 14 4.001 -10.599 9.440 1.00 0.00 H new ATOM 0 HA MET A 14 4.836 -7.894 9.288 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.233 -9.253 8.479 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.718 -7.642 7.987 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.421 -8.809 6.145 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.884 -8.905 7.105 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.527 -12.322 5.439 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.852 -10.684 5.611 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.338 -10.941 4.665 1.00 0.00 H new ATOM 196 N THR A 15 2.036 -8.415 10.988 1.00 0.00 N ATOM 197 CA THR A 15 1.185 -7.863 12.035 1.00 0.00 C ATOM 198 C THR A 15 2.005 -7.471 13.259 1.00 0.00 C ATOM 199 O THR A 15 1.767 -6.431 13.871 1.00 0.00 O ATOM 200 CB THR A 15 0.095 -8.865 12.460 1.00 0.00 C ATOM 201 OG1 THR A 15 0.694 -10.005 13.085 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.727 -9.311 11.260 1.00 0.00 C ATOM 0 H THR A 15 1.688 -9.280 10.574 1.00 0.00 H new ATOM 0 HA THR A 15 0.709 -6.975 11.620 1.00 0.00 H new ATOM 0 HB THR A 15 -0.567 -8.369 13.170 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.501 -10.262 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.490 -10.018 11.584 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.206 -8.444 10.804 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.075 -9.791 10.530 1.00 0.00 H new ATOM 210 N GLY A 16 2.972 -8.313 13.612 1.00 0.00 N ATOM 211 CA GLY A 16 3.812 -8.036 14.763 1.00 0.00 C ATOM 212 C GLY A 16 4.437 -6.656 14.706 1.00 0.00 C ATOM 213 O GLY A 16 4.551 -5.976 15.727 1.00 0.00 O ATOM 0 H GLY A 16 3.188 -9.181 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.218 -8.125 15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.600 -8.786 14.823 1.00 0.00 H new ATOM 217 N LEU A 17 4.844 -6.241 13.512 1.00 0.00 N ATOM 218 CA LEU A 17 5.462 -4.933 13.326 1.00 0.00 C ATOM 219 C LEU A 17 4.633 -3.840 13.992 1.00 0.00 C ATOM 220 O LEU A 17 3.414 -3.946 14.128 1.00 0.00 O ATOM 221 CB LEU A 17 5.623 -4.630 11.835 1.00 0.00 C ATOM 222 CG LEU A 17 6.579 -5.541 11.065 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.471 -5.285 9.569 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.010 -5.336 11.541 1.00 0.00 C ATOM 0 H LEU A 17 4.757 -6.791 12.658 1.00 0.00 H new ATOM 0 HA LEU A 17 6.446 -4.954 13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.641 -4.687 11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.968 -3.602 11.729 1.00 0.00 H new ATOM 0 HG LEU A 17 6.298 -6.577 11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.159 -5.942 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.451 -5.483 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.726 -4.246 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.677 -5.992 10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.302 -4.299 11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.077 -5.570 12.603 1.00 0.00 H new ATOM 236 N PRO A 18 5.308 -2.761 14.417 1.00 0.00 N ATOM 237 CA PRO A 18 4.653 -1.626 15.074 1.00 0.00 C ATOM 238 C PRO A 18 3.782 -0.823 14.113 1.00 0.00 C ATOM 239 O PRO A 18 2.710 -0.344 14.484 1.00 0.00 O ATOM 240 CB PRO A 18 5.827 -0.776 15.567 1.00 0.00 C ATOM 241 CG PRO A 18 6.954 -1.121 14.656 1.00 0.00 C ATOM 242 CD PRO A 18 6.762 -2.567 14.289 1.00 0.00 C ATOM 0 HA PRO A 18 3.979 -1.948 15.867 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.592 0.287 15.521 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.073 -1.004 16.604 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.946 -0.489 13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.914 -0.967 15.148 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.107 -2.774 13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.316 -3.228 14.956 1.00 0.00 H new ATOM 250 N HIS A 19 4.250 -0.681 12.877 1.00 0.00 N ATOM 251 CA HIS A 19 3.512 0.063 11.862 1.00 0.00 C ATOM 252 C HIS A 19 2.254 -0.692 11.442 1.00 0.00 C ATOM 253 O HIS A 19 1.369 -0.132 10.797 1.00 0.00 O ATOM 254 CB HIS A 19 4.398 0.319 10.642 1.00 0.00 C ATOM 255 CG HIS A 19 5.369 -0.787 10.364 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.636 -0.831 10.907 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.252 -1.896 9.597 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.256 -1.917 10.484 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.438 -2.581 9.688 1.00 0.00 N ATOM 0 H HIS A 19 5.136 -1.071 12.554 1.00 0.00 H new ATOM 0 HA HIS A 19 3.214 1.019 12.293 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.764 0.463 9.767 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.950 1.247 10.792 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.032 -0.133 11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.387 -2.188 9.021 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.262 -2.212 10.745 1.00 0.00 H new ATOM 267 N ASN A 20 2.184 -1.966 11.812 1.00 0.00 N ATOM 268 CA ASN A 20 1.035 -2.798 11.473 1.00 0.00 C ATOM 269 C ASN A 20 0.003 -2.785 12.596 1.00 0.00 C ATOM 270 O ASN A 20 -1.203 -2.783 12.346 1.00 0.00 O ATOM 271 CB ASN A 20 1.483 -4.234 11.194 1.00 0.00 C ATOM 272 CG ASN A 20 1.824 -4.460 9.733 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.988 -4.915 8.952 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.057 -4.143 9.358 1.00 0.00 N ATOM 0 H ASN A 20 2.909 -2.445 12.346 1.00 0.00 H new ATOM 0 HA ASN A 20 0.574 -2.387 10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.354 -4.466 11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.692 -4.923 11.490 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.345 -4.274 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.717 -3.769 10.040 1.00 0.00 H new ATOM 281 N ARG A 21 0.485 -2.776 13.835 1.00 0.00 N ATOM 282 CA ARG A 21 -0.396 -2.764 14.997 1.00 0.00 C ATOM 283 C ARG A 21 -1.619 -1.888 14.743 1.00 0.00 C ATOM 284 O ARG A 21 -2.686 -2.112 15.315 1.00 0.00 O ATOM 285 CB ARG A 21 0.358 -2.260 16.229 1.00 0.00 C ATOM 286 CG ARG A 21 1.575 -3.099 16.584 1.00 0.00 C ATOM 287 CD ARG A 21 1.205 -4.561 16.783 1.00 0.00 C ATOM 288 NE ARG A 21 0.212 -4.735 17.840 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.438 -5.873 18.058 1.00 0.00 C ATOM 290 NH1 ARG A 21 -0.200 -6.932 17.297 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.327 -5.953 19.040 1.00 0.00 N ATOM 0 H ARG A 21 1.480 -2.777 14.060 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.733 -3.785 15.177 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.674 -1.232 16.055 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.323 -2.245 17.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.319 -3.015 15.792 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.033 -2.711 17.494 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.816 -4.967 15.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.101 -5.131 17.029 1.00 0.00 H new ATOM 0 HE ARG A 21 0.006 -3.939 18.444 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.483 -6.874 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.700 -7.805 17.466 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.512 -5.140 19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.826 -6.827 19.207 1.00 0.00 H new ATOM 305 N LYS A 22 -1.457 -0.890 13.882 1.00 0.00 N ATOM 306 CA LYS A 22 -2.548 0.020 13.550 1.00 0.00 C ATOM 307 C LYS A 22 -2.902 -0.072 12.069 1.00 0.00 C ATOM 308 O LYS A 22 -2.080 -0.481 11.248 1.00 0.00 O ATOM 309 CB LYS A 22 -2.165 1.458 13.906 1.00 0.00 C ATOM 310 CG LYS A 22 -2.004 1.694 15.397 1.00 0.00 C ATOM 311 CD LYS A 22 -3.305 2.152 16.033 1.00 0.00 C ATOM 312 CE LYS A 22 -3.077 2.711 17.430 1.00 0.00 C ATOM 313 NZ LYS A 22 -2.226 1.810 18.255 1.00 0.00 N ATOM 0 H LYS A 22 -0.580 -0.690 13.401 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.422 -0.272 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.231 1.711 13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.928 2.134 13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.667 0.775 15.877 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.232 2.444 15.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.769 2.914 15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.001 1.314 16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.604 3.690 17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.038 2.857 17.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.542 1.845 19.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.306 0.836 17.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.235 2.119 18.197 1.00 0.00 H new ATOM 327 N CYS A 23 -4.129 0.312 11.734 1.00 0.00 N ATOM 328 CA CYS A 23 -4.592 0.274 10.352 1.00 0.00 C ATOM 329 C CYS A 23 -3.834 1.286 9.497 1.00 0.00 C ATOM 330 O CYS A 23 -2.951 1.991 9.986 1.00 0.00 O ATOM 331 CB CYS A 23 -6.094 0.559 10.288 1.00 0.00 C ATOM 332 SG CYS A 23 -6.944 -0.249 8.894 1.00 0.00 S ATOM 0 H CYS A 23 -4.821 0.653 12.401 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.401 -0.724 9.958 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.555 0.232 11.220 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.246 1.636 10.218 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.169 -0.523 9.233 1.00 0.00 H new ATOM 337 N PHE A 24 -4.185 1.350 8.217 1.00 0.00 N ATOM 338 CA PHE A 24 -3.538 2.274 7.292 1.00 0.00 C ATOM 339 C PHE A 24 -4.387 3.525 7.091 1.00 0.00 C ATOM 340 O PHE A 24 -3.865 4.638 7.014 1.00 0.00 O ATOM 341 CB PHE A 24 -3.289 1.591 5.946 1.00 0.00 C ATOM 342 CG PHE A 24 -2.470 2.418 4.996 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.052 3.447 4.275 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.118 2.166 4.825 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.302 4.211 3.400 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.363 2.926 3.953 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.956 3.949 3.238 1.00 0.00 C ATOM 0 H PHE A 24 -4.914 0.773 7.796 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.582 2.570 7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.782 0.641 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.248 1.361 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.105 3.655 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.649 1.366 5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.768 5.011 2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.690 2.721 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.368 4.543 2.554 1.00 0.00 H new ATOM 357 N ASP A 25 -5.699 3.335 7.005 1.00 0.00 N ATOM 358 CA ASP A 25 -6.622 4.448 6.812 1.00 0.00 C ATOM 359 C ASP A 25 -7.187 4.922 8.147 1.00 0.00 C ATOM 360 O ASP A 25 -6.849 6.004 8.627 1.00 0.00 O ATOM 361 CB ASP A 25 -7.762 4.037 5.879 1.00 0.00 C ATOM 362 CG ASP A 25 -7.317 3.042 4.825 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.363 3.352 4.081 1.00 0.00 O ATOM 364 OD2 ASP A 25 -7.923 1.953 4.744 1.00 0.00 O ATOM 0 H ASP A 25 -6.148 2.421 7.066 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.070 5.271 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.570 3.602 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.165 4.924 5.390 1.00 0.00 H new ATOM 369 N CYS A 26 -8.050 4.105 8.742 1.00 0.00 N ATOM 370 CA CYS A 26 -8.664 4.441 10.021 1.00 0.00 C ATOM 371 C CYS A 26 -7.652 4.328 11.157 1.00 0.00 C ATOM 372 O CYS A 26 -7.962 4.624 12.311 1.00 0.00 O ATOM 373 CB CYS A 26 -9.858 3.524 10.294 1.00 0.00 C ATOM 374 SG CYS A 26 -9.398 1.837 10.803 1.00 0.00 S ATOM 0 H CYS A 26 -8.340 3.205 8.359 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.011 5.473 9.969 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.476 3.971 11.073 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.471 3.466 9.395 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.617 1.311 9.907 1.00 0.00 H new ATOM 379 N ASP A 27 -6.441 3.897 10.822 1.00 0.00 N ATOM 380 CA ASP A 27 -5.381 3.746 11.812 1.00 0.00 C ATOM 381 C ASP A 27 -5.903 3.045 13.063 1.00 0.00 C ATOM 382 O ASP A 27 -5.502 3.370 14.180 1.00 0.00 O ATOM 383 CB ASP A 27 -4.800 5.111 12.182 1.00 0.00 C ATOM 384 CG ASP A 27 -3.648 5.513 11.282 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.897 5.808 10.094 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.497 5.534 11.766 1.00 0.00 O ATOM 0 H ASP A 27 -6.169 3.646 9.872 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.594 3.132 11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.585 5.865 12.122 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.458 5.089 13.217 1.00 0.00 H new ATOM 391 N GLN A 28 -6.801 2.085 12.867 1.00 0.00 N ATOM 392 CA GLN A 28 -7.378 1.341 13.980 1.00 0.00 C ATOM 393 C GLN A 28 -6.426 0.249 14.457 1.00 0.00 C ATOM 394 O GLN A 28 -5.904 -0.526 13.657 1.00 0.00 O ATOM 395 CB GLN A 28 -8.716 0.723 13.568 1.00 0.00 C ATOM 396 CG GLN A 28 -9.291 -0.229 14.604 1.00 0.00 C ATOM 397 CD GLN A 28 -9.611 0.460 15.916 1.00 0.00 C ATOM 398 OE1 GLN A 28 -8.810 0.443 16.851 1.00 0.00 O ATOM 399 NE2 GLN A 28 -10.787 1.072 15.992 1.00 0.00 N ATOM 0 H GLN A 28 -7.144 1.804 11.948 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.544 2.037 14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.434 1.522 13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.585 0.188 12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.198 -0.687 14.208 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.580 -1.035 14.785 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.420 1.061 15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.057 1.553 16.850 1.00 0.00 H new ATOM 408 N ARG A 29 -6.205 0.196 15.767 1.00 0.00 N ATOM 409 CA ARG A 29 -5.314 -0.800 16.351 1.00 0.00 C ATOM 410 C ARG A 29 -5.925 -2.195 16.262 1.00 0.00 C ATOM 411 O ARG A 29 -6.920 -2.491 16.922 1.00 0.00 O ATOM 412 CB ARG A 29 -5.016 -0.454 17.811 1.00 0.00 C ATOM 413 CG ARG A 29 -6.263 -0.206 18.645 1.00 0.00 C ATOM 414 CD ARG A 29 -5.912 0.100 20.093 1.00 0.00 C ATOM 415 NE ARG A 29 -7.055 0.631 20.832 1.00 0.00 N ATOM 416 CZ ARG A 29 -8.054 -0.121 21.279 1.00 0.00 C ATOM 417 NH1 ARG A 29 -8.052 -1.429 21.065 1.00 0.00 N ATOM 418 NH2 ARG A 29 -9.059 0.436 21.944 1.00 0.00 N ATOM 0 H ARG A 29 -6.630 0.830 16.443 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.382 -0.794 15.785 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.445 -1.267 18.259 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.385 0.434 17.844 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.826 0.626 18.222 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.910 -1.082 18.603 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.556 -0.808 20.579 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.094 0.820 20.124 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.087 1.634 21.015 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.281 -1.861 20.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.821 -2.003 21.410 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.064 1.442 22.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.826 -0.142 22.287 1.00 0.00 H new ATOM 432 N GLY A 30 -5.323 -3.048 15.440 1.00 0.00 N ATOM 433 CA GLY A 30 -5.821 -4.401 15.279 1.00 0.00 C ATOM 434 C GLY A 30 -6.402 -4.645 13.900 1.00 0.00 C ATOM 435 O GLY A 30 -7.601 -4.873 13.739 1.00 0.00 O ATOM 0 H GLY A 30 -4.498 -2.826 14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.010 -5.107 15.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.585 -4.595 16.031 1.00 0.00 H new ATOM 439 N PRO A 31 -5.540 -4.596 12.873 1.00 0.00 N ATOM 440 CA PRO A 31 -5.952 -4.809 11.483 1.00 0.00 C ATOM 441 C PRO A 31 -6.345 -6.257 11.210 1.00 0.00 C ATOM 442 O PRO A 31 -5.663 -7.189 11.639 1.00 0.00 O ATOM 443 CB PRO A 31 -4.703 -4.435 10.681 1.00 0.00 C ATOM 444 CG PRO A 31 -3.569 -4.656 11.622 1.00 0.00 C ATOM 445 CD PRO A 31 -4.097 -4.329 12.991 1.00 0.00 C ATOM 0 HA PRO A 31 -6.833 -4.221 11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.604 -5.055 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.743 -3.399 10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.218 -5.687 11.575 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.722 -4.019 11.368 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.635 -4.950 13.759 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.901 -3.291 13.260 1.00 0.00 H new ATOM 453 N THR A 32 -7.450 -6.441 10.494 1.00 0.00 N ATOM 454 CA THR A 32 -7.935 -7.776 10.166 1.00 0.00 C ATOM 455 C THR A 32 -8.067 -7.956 8.658 1.00 0.00 C ATOM 456 O THR A 32 -8.789 -8.837 8.189 1.00 0.00 O ATOM 457 CB THR A 32 -9.298 -8.057 10.826 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.158 -6.922 10.677 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.127 -8.379 12.303 1.00 0.00 C ATOM 0 H THR A 32 -8.026 -5.682 10.130 1.00 0.00 H new ATOM 0 HA THR A 32 -7.201 -8.483 10.552 1.00 0.00 H new ATOM 0 HB THR A 32 -9.746 -8.919 10.331 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.023 -7.110 11.098 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.103 -8.574 12.748 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.496 -9.261 12.412 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.660 -7.533 12.808 1.00 0.00 H new ATOM 467 N TYR A 33 -7.366 -7.118 7.903 1.00 0.00 N ATOM 468 CA TYR A 33 -7.407 -7.185 6.447 1.00 0.00 C ATOM 469 C TYR A 33 -6.092 -6.700 5.842 1.00 0.00 C ATOM 470 O TYR A 33 -5.280 -6.069 6.518 1.00 0.00 O ATOM 471 CB TYR A 33 -8.568 -6.347 5.909 1.00 0.00 C ATOM 472 CG TYR A 33 -9.874 -7.104 5.828 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.637 -7.337 6.966 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.346 -7.587 4.613 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.830 -8.029 6.897 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.539 -8.278 4.535 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.278 -8.497 5.679 1.00 0.00 C ATOM 478 OH TYR A 33 -13.466 -9.186 5.605 1.00 0.00 O ATOM 0 H TYR A 33 -6.763 -6.384 8.275 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.556 -8.226 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.702 -5.475 6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.309 -5.978 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.291 -6.970 7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.770 -7.419 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.409 -8.203 7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.892 -8.645 3.583 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.295 -10.145 5.710 1.00 0.00 H new ATOM 488 N VAL A 34 -5.891 -7.000 4.563 1.00 0.00 N ATOM 489 CA VAL A 34 -4.677 -6.594 3.865 1.00 0.00 C ATOM 490 C VAL A 34 -4.969 -6.251 2.408 1.00 0.00 C ATOM 491 O VAL A 34 -5.663 -6.992 1.713 1.00 0.00 O ATOM 492 CB VAL A 34 -3.605 -7.698 3.915 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.831 -7.632 5.224 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.241 -9.067 3.731 1.00 0.00 C ATOM 0 H VAL A 34 -6.553 -7.523 3.989 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.300 -5.708 4.376 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.903 -7.536 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.078 -8.420 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.343 -6.661 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.517 -7.768 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.469 -9.835 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.966 -9.241 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.745 -9.107 2.765 1.00 0.00 H new ATOM 504 N ASN A 35 -4.435 -5.122 1.953 1.00 0.00 N ATOM 505 CA ASN A 35 -4.638 -4.680 0.578 1.00 0.00 C ATOM 506 C ASN A 35 -3.665 -5.378 -0.367 1.00 0.00 C ATOM 507 O ASN A 35 -2.455 -5.167 -0.295 1.00 0.00 O ATOM 508 CB ASN A 35 -4.466 -3.163 0.477 1.00 0.00 C ATOM 509 CG ASN A 35 -5.014 -2.604 -0.822 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.918 -3.238 -1.873 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.593 -1.411 -0.754 1.00 0.00 N ATOM 0 H ASN A 35 -3.859 -4.497 2.516 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.654 -4.944 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.972 -2.686 1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.408 -2.914 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.981 -0.984 -1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.650 -0.922 0.139 1.00 0.00 H new ATOM 518 N MET A 36 -4.203 -6.209 -1.254 1.00 0.00 N ATOM 519 CA MET A 36 -3.382 -6.937 -2.215 1.00 0.00 C ATOM 520 C MET A 36 -2.910 -6.014 -3.334 1.00 0.00 C ATOM 521 O MET A 36 -1.914 -6.292 -4.004 1.00 0.00 O ATOM 522 CB MET A 36 -4.166 -8.111 -2.803 1.00 0.00 C ATOM 523 CG MET A 36 -4.062 -9.384 -1.979 1.00 0.00 C ATOM 524 SD MET A 36 -2.666 -10.415 -2.468 1.00 0.00 S ATOM 525 CE MET A 36 -1.471 -9.989 -1.203 1.00 0.00 C ATOM 0 H MET A 36 -5.203 -6.395 -1.327 1.00 0.00 H new ATOM 0 HA MET A 36 -2.507 -7.321 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.215 -7.829 -2.891 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.804 -8.310 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.965 -9.123 -0.925 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.984 -9.955 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.511 -9.768 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.818 -9.113 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.356 -10.826 -0.514 1.00 0.00 H new ATOM 535 N THR A 37 -3.630 -4.915 -3.533 1.00 0.00 N ATOM 536 CA THR A 37 -3.286 -3.953 -4.572 1.00 0.00 C ATOM 537 C THR A 37 -2.183 -3.010 -4.105 1.00 0.00 C ATOM 538 O THR A 37 -1.173 -2.834 -4.786 1.00 0.00 O ATOM 539 CB THR A 37 -4.511 -3.121 -4.995 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.481 -3.963 -5.628 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.105 -2.005 -5.946 1.00 0.00 C ATOM 0 H THR A 37 -4.456 -4.669 -2.988 1.00 0.00 H new ATOM 0 HA THR A 37 -2.932 -4.527 -5.429 1.00 0.00 H new ATOM 0 HB THR A 37 -4.946 -2.675 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.090 -3.414 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.987 -1.431 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.389 -1.349 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.648 -2.435 -6.837 1.00 0.00 H new ATOM 549 N VAL A 38 -2.381 -2.407 -2.937 1.00 0.00 N ATOM 550 CA VAL A 38 -1.402 -1.483 -2.377 1.00 0.00 C ATOM 551 C VAL A 38 -0.352 -2.225 -1.559 1.00 0.00 C ATOM 552 O VAL A 38 0.800 -1.800 -1.475 1.00 0.00 O ATOM 553 CB VAL A 38 -2.076 -0.422 -1.487 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.066 0.629 -1.051 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.245 0.221 -2.217 1.00 0.00 C ATOM 0 H VAL A 38 -3.211 -2.542 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.918 -0.986 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.461 -0.914 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.560 1.370 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.265 0.152 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.648 1.119 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.709 0.968 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.886 0.700 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.979 -0.543 -2.474 1.00 0.00 H new ATOM 565 N GLY A 39 -0.757 -3.338 -0.955 1.00 0.00 N ATOM 566 CA GLY A 39 0.161 -4.123 -0.150 1.00 0.00 C ATOM 567 C GLY A 39 0.240 -3.634 1.282 1.00 0.00 C ATOM 568 O GLY A 39 1.265 -3.792 1.944 1.00 0.00 O ATOM 0 H GLY A 39 -1.705 -3.710 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.155 -5.166 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.154 -4.087 -0.598 1.00 0.00 H new ATOM 572 N SER A 40 -0.846 -3.037 1.763 1.00 0.00 N ATOM 573 CA SER A 40 -0.894 -2.518 3.125 1.00 0.00 C ATOM 574 C SER A 40 -1.786 -3.387 4.006 1.00 0.00 C ATOM 575 O SER A 40 -2.392 -4.350 3.537 1.00 0.00 O ATOM 576 CB SER A 40 -1.405 -1.076 3.126 1.00 0.00 C ATOM 577 OG SER A 40 -2.813 -1.034 2.966 1.00 0.00 O ATOM 0 H SER A 40 -1.705 -2.901 1.230 1.00 0.00 H new ATOM 0 HA SER A 40 0.117 -2.537 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.127 -0.589 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.927 -0.517 2.321 1.00 0.00 H new ATOM 0 HG SER A 40 -3.115 -0.102 2.972 1.00 0.00 H new ATOM 583 N PHE A 41 -1.862 -3.038 5.286 1.00 0.00 N ATOM 584 CA PHE A 41 -2.679 -3.786 6.235 1.00 0.00 C ATOM 585 C PHE A 41 -3.901 -2.976 6.657 1.00 0.00 C ATOM 586 O PHE A 41 -3.800 -2.053 7.465 1.00 0.00 O ATOM 587 CB PHE A 41 -1.852 -4.162 7.466 1.00 0.00 C ATOM 588 CG PHE A 41 -0.983 -5.369 7.259 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.044 -5.348 6.329 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.193 -6.525 7.994 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.846 -6.457 6.136 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.394 -7.637 7.806 1.00 0.00 C ATOM 593 CZ PHE A 41 0.626 -7.603 6.875 1.00 0.00 C ATOM 0 H PHE A 41 -1.368 -2.242 5.690 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.021 -4.697 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.224 -3.316 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.525 -4.348 8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.220 -4.455 5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.990 -6.557 8.722 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.644 -6.428 5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.567 -8.531 8.386 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.251 -8.471 6.725 1.00 0.00 H new ATOM 603 N VAL A 42 -5.057 -3.329 6.103 1.00 0.00 N ATOM 604 CA VAL A 42 -6.300 -2.636 6.421 1.00 0.00 C ATOM 605 C VAL A 42 -7.198 -3.495 7.304 1.00 0.00 C ATOM 606 O VAL A 42 -6.873 -4.644 7.607 1.00 0.00 O ATOM 607 CB VAL A 42 -7.071 -2.251 5.144 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.339 -1.152 4.389 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.277 -3.471 4.259 1.00 0.00 C ATOM 0 H VAL A 42 -5.158 -4.091 5.432 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.027 -1.728 6.959 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.051 -1.870 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.899 -0.893 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.248 -0.272 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.345 -1.502 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.823 -3.181 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.308 -3.884 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.847 -4.223 4.804 1.00 0.00 H new ATOM 619 N CYS A 43 -8.329 -2.932 7.714 1.00 0.00 N ATOM 620 CA CYS A 43 -9.276 -3.646 8.562 1.00 0.00 C ATOM 621 C CYS A 43 -10.545 -3.992 7.790 1.00 0.00 C ATOM 622 O CYS A 43 -10.706 -3.606 6.631 1.00 0.00 O ATOM 623 CB CYS A 43 -9.627 -2.804 9.791 1.00 0.00 C ATOM 624 SG CYS A 43 -10.607 -1.315 9.417 1.00 0.00 S ATOM 0 H CYS A 43 -8.613 -1.982 7.473 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.806 -4.574 8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.182 -3.423 10.496 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.705 -2.503 10.288 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.055 -0.280 9.977 1.00 0.00 H new ATOM 629 N THR A 44 -11.446 -4.723 8.439 1.00 0.00 N ATOM 630 CA THR A 44 -12.701 -5.122 7.814 1.00 0.00 C ATOM 631 C THR A 44 -13.468 -3.910 7.298 1.00 0.00 C ATOM 632 O THR A 44 -14.062 -3.952 6.221 1.00 0.00 O ATOM 633 CB THR A 44 -13.595 -5.901 8.797 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.744 -6.414 8.114 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.039 -5.010 9.948 1.00 0.00 C ATOM 0 H THR A 44 -11.330 -5.051 9.398 1.00 0.00 H new ATOM 0 HA THR A 44 -12.445 -5.770 6.976 1.00 0.00 H new ATOM 0 HB THR A 44 -13.014 -6.729 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.306 -6.909 8.746 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.669 -5.582 10.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.163 -4.645 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.603 -4.164 9.556 1.00 0.00 H new ATOM 643 N SER A 45 -13.451 -2.830 8.073 1.00 0.00 N ATOM 644 CA SER A 45 -14.148 -1.607 7.695 1.00 0.00 C ATOM 645 C SER A 45 -13.564 -1.023 6.413 1.00 0.00 C ATOM 646 O SER A 45 -14.236 -0.959 5.383 1.00 0.00 O ATOM 647 CB SER A 45 -14.062 -0.576 8.823 1.00 0.00 C ATOM 648 OG SER A 45 -14.747 -1.028 9.979 1.00 0.00 O ATOM 0 H SER A 45 -12.962 -2.778 8.967 1.00 0.00 H new ATOM 0 HA SER A 45 -15.194 -1.855 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.017 -0.385 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.489 0.370 8.489 1.00 0.00 H new ATOM 0 HG SER A 45 -14.676 -0.353 10.686 1.00 0.00 H new ATOM 654 N CYS A 46 -12.307 -0.597 6.483 1.00 0.00 N ATOM 655 CA CYS A 46 -11.630 -0.017 5.329 1.00 0.00 C ATOM 656 C CYS A 46 -11.760 -0.925 4.109 1.00 0.00 C ATOM 657 O CYS A 46 -12.187 -0.488 3.040 1.00 0.00 O ATOM 658 CB CYS A 46 -10.152 0.222 5.645 1.00 0.00 C ATOM 659 SG CYS A 46 -9.864 1.398 7.006 1.00 0.00 S ATOM 0 H CYS A 46 -11.736 -0.643 7.327 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.105 0.937 5.102 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.687 -0.731 5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.655 0.592 4.748 1.00 0.00 H new ATOM 0 HG CYS A 46 -10.040 0.796 8.145 1.00 0.00 H new ATOM 664 N SER A 47 -11.389 -2.190 4.278 1.00 0.00 N ATOM 665 CA SER A 47 -11.461 -3.159 3.191 1.00 0.00 C ATOM 666 C SER A 47 -12.742 -2.976 2.383 1.00 0.00 C ATOM 667 O SER A 47 -12.772 -3.228 1.179 1.00 0.00 O ATOM 668 CB SER A 47 -11.392 -4.584 3.744 1.00 0.00 C ATOM 669 OG SER A 47 -12.517 -4.870 4.557 1.00 0.00 O ATOM 0 H SER A 47 -11.036 -2.568 5.157 1.00 0.00 H new ATOM 0 HA SER A 47 -10.610 -2.991 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.345 -5.296 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.478 -4.708 4.325 1.00 0.00 H new ATOM 0 HG SER A 47 -12.858 -4.038 4.947 1.00 0.00 H new ATOM 675 N GLY A 48 -13.800 -2.534 3.056 1.00 0.00 N ATOM 676 CA GLY A 48 -15.071 -2.325 2.387 1.00 0.00 C ATOM 677 C GLY A 48 -15.086 -1.057 1.556 1.00 0.00 C ATOM 678 O GLY A 48 -15.671 -1.022 0.474 1.00 0.00 O ATOM 0 H GLY A 48 -13.800 -2.317 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.285 -3.179 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.866 -2.278 3.131 1.00 0.00 H new ATOM 682 N SER A 49 -14.442 -0.010 2.064 1.00 0.00 N ATOM 683 CA SER A 49 -14.389 1.268 1.364 1.00 0.00 C ATOM 684 C SER A 49 -13.542 1.160 0.100 1.00 0.00 C ATOM 685 O SER A 49 -13.966 1.569 -0.982 1.00 0.00 O ATOM 686 CB SER A 49 -13.820 2.352 2.282 1.00 0.00 C ATOM 687 OG SER A 49 -13.988 3.640 1.715 1.00 0.00 O ATOM 0 H SER A 49 -13.950 -0.022 2.957 1.00 0.00 H new ATOM 0 HA SER A 49 -15.405 1.540 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.317 2.310 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.761 2.164 2.459 1.00 0.00 H new ATOM 0 HG SER A 49 -13.618 4.315 2.321 1.00 0.00 H new ATOM 693 N LEU A 50 -12.343 0.606 0.244 1.00 0.00 N ATOM 694 CA LEU A 50 -11.435 0.444 -0.886 1.00 0.00 C ATOM 695 C LEU A 50 -12.176 -0.089 -2.108 1.00 0.00 C ATOM 696 O LEU A 50 -12.012 0.420 -3.216 1.00 0.00 O ATOM 697 CB LEU A 50 -10.292 -0.503 -0.514 1.00 0.00 C ATOM 698 CG LEU A 50 -9.239 0.058 0.442 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.334 -1.053 0.951 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.421 1.144 -0.242 1.00 0.00 C ATOM 0 H LEU A 50 -11.977 0.262 1.132 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.023 1.422 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.721 -1.399 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.792 -0.814 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.751 0.501 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.591 -0.635 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.932 -1.795 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.830 -1.526 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.677 1.531 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.919 0.726 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.081 1.953 -0.556 1.00 0.00 H new ATOM 712 N ARG A 51 -12.992 -1.117 -1.897 1.00 0.00 N ATOM 713 CA ARG A 51 -13.759 -1.718 -2.981 1.00 0.00 C ATOM 714 C ARG A 51 -14.555 -0.659 -3.737 1.00 0.00 C ATOM 715 O ARG A 51 -14.609 -0.667 -4.966 1.00 0.00 O ATOM 716 CB ARG A 51 -14.705 -2.788 -2.432 1.00 0.00 C ATOM 717 CG ARG A 51 -13.988 -3.998 -1.856 1.00 0.00 C ATOM 718 CD ARG A 51 -14.876 -5.232 -1.874 1.00 0.00 C ATOM 719 NE ARG A 51 -15.055 -5.758 -3.224 1.00 0.00 N ATOM 720 CZ ARG A 51 -15.843 -6.788 -3.514 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.521 -7.398 -2.552 1.00 0.00 N ATOM 722 NH2 ARG A 51 -15.953 -7.208 -4.768 1.00 0.00 N ATOM 0 H ARG A 51 -13.139 -1.551 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.058 -2.183 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.331 -2.345 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.370 -3.117 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.082 -4.192 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.679 -3.786 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.438 -6.003 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.849 -4.985 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.547 -5.310 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.438 -7.077 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.125 -8.188 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.432 -6.740 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.558 -7.999 -4.990 1.00 0.00 H new ATOM 736 N GLY A 52 -15.173 0.253 -2.992 1.00 0.00 N ATOM 737 CA GLY A 52 -15.958 1.306 -3.609 1.00 0.00 C ATOM 738 C GLY A 52 -15.197 2.035 -4.698 1.00 0.00 C ATOM 739 O GLY A 52 -15.781 2.460 -5.696 1.00 0.00 O ATOM 0 H GLY A 52 -15.144 0.281 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.867 0.877 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.266 2.020 -2.845 1.00 0.00 H new ATOM 743 N LEU A 53 -13.891 2.182 -4.508 1.00 0.00 N ATOM 744 CA LEU A 53 -13.048 2.867 -5.482 1.00 0.00 C ATOM 745 C LEU A 53 -13.192 2.238 -6.864 1.00 0.00 C ATOM 746 O LEU A 53 -13.824 1.194 -7.019 1.00 0.00 O ATOM 747 CB LEU A 53 -11.584 2.822 -5.040 1.00 0.00 C ATOM 748 CG LEU A 53 -11.293 3.340 -3.631 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.876 2.981 -3.213 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.506 4.846 -3.561 1.00 0.00 C ATOM 0 H LEU A 53 -13.392 1.836 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.373 3.906 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.237 1.791 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.993 3.403 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.987 2.863 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.687 3.358 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.757 1.898 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.167 3.430 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.294 5.197 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.837 5.341 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.539 5.080 -3.817 1.00 0.00 H new ATOM 762 N ASN A 54 -12.600 2.880 -7.866 1.00 0.00 N ATOM 763 CA ASN A 54 -12.662 2.383 -9.235 1.00 0.00 C ATOM 764 C ASN A 54 -11.358 2.664 -9.976 1.00 0.00 C ATOM 765 O ASN A 54 -10.948 3.813 -10.148 1.00 0.00 O ATOM 766 CB ASN A 54 -13.833 3.025 -9.981 1.00 0.00 C ATOM 767 CG ASN A 54 -14.104 2.358 -11.316 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.902 1.424 -11.406 1.00 0.00 O ATOM 769 ND2 ASN A 54 -13.439 2.835 -12.361 1.00 0.00 N ATOM 0 H ASN A 54 -12.072 3.746 -7.755 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.812 1.304 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.729 2.970 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.622 4.082 -10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.580 2.426 -13.285 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.787 3.610 -12.240 1.00 0.00 H new ATOM 776 N PRO A 55 -10.689 1.592 -10.425 1.00 0.00 N ATOM 777 CA PRO A 55 -11.166 0.221 -10.225 1.00 0.00 C ATOM 778 C PRO A 55 -11.082 -0.216 -8.766 1.00 0.00 C ATOM 779 O PRO A 55 -10.279 0.296 -7.986 1.00 0.00 O ATOM 780 CB PRO A 55 -10.217 -0.614 -11.089 1.00 0.00 C ATOM 781 CG PRO A 55 -8.972 0.199 -11.179 1.00 0.00 C ATOM 782 CD PRO A 55 -9.415 1.636 -11.162 1.00 0.00 C ATOM 0 HA PRO A 55 -12.217 0.112 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.023 -1.587 -10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.641 -0.800 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.305 -0.014 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.422 -0.029 -12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.685 2.275 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.548 2.028 -12.171 1.00 0.00 H new ATOM 790 N PRO A 56 -11.929 -1.184 -8.388 1.00 0.00 N ATOM 791 CA PRO A 56 -11.968 -1.711 -7.020 1.00 0.00 C ATOM 792 C PRO A 56 -10.727 -2.528 -6.678 1.00 0.00 C ATOM 793 O PRO A 56 -10.364 -3.457 -7.401 1.00 0.00 O ATOM 794 CB PRO A 56 -13.212 -2.603 -7.020 1.00 0.00 C ATOM 795 CG PRO A 56 -13.391 -3.004 -8.443 1.00 0.00 C ATOM 796 CD PRO A 56 -12.913 -1.839 -9.265 1.00 0.00 C ATOM 0 HA PRO A 56 -11.997 -0.914 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.075 -3.473 -6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.084 -2.066 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.818 -3.903 -8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.436 -3.230 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.462 -2.166 -10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.731 -1.167 -9.523 1.00 0.00 H new ATOM 804 N HIS A 57 -10.080 -2.177 -5.571 1.00 0.00 N ATOM 805 CA HIS A 57 -8.879 -2.879 -5.132 1.00 0.00 C ATOM 806 C HIS A 57 -9.213 -4.299 -4.685 1.00 0.00 C ATOM 807 O HIS A 57 -10.368 -4.722 -4.740 1.00 0.00 O ATOM 808 CB HIS A 57 -8.206 -2.117 -3.990 1.00 0.00 C ATOM 809 CG HIS A 57 -7.596 -0.817 -4.415 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.914 0.012 -3.551 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.568 -0.205 -5.622 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.493 1.079 -4.207 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.877 0.971 -5.466 1.00 0.00 N ATOM 0 H HIS A 57 -10.367 -1.411 -4.962 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.191 -2.935 -5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.942 -1.925 -3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.432 -2.746 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.007 -0.573 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.931 1.899 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.690 1.651 -6.203 1.00 0.00 H new ATOM 821 N ARG A 58 -8.195 -5.030 -4.244 1.00 0.00 N ATOM 822 CA ARG A 58 -8.380 -6.403 -3.790 1.00 0.00 C ATOM 823 C ARG A 58 -8.013 -6.542 -2.315 1.00 0.00 C ATOM 824 O ARG A 58 -6.853 -6.385 -1.936 1.00 0.00 O ATOM 825 CB ARG A 58 -7.532 -7.360 -4.629 1.00 0.00 C ATOM 826 CG ARG A 58 -8.254 -7.901 -5.852 1.00 0.00 C ATOM 827 CD ARG A 58 -8.280 -6.882 -6.980 1.00 0.00 C ATOM 828 NE ARG A 58 -9.463 -6.028 -6.919 1.00 0.00 N ATOM 829 CZ ARG A 58 -10.706 -6.485 -7.021 1.00 0.00 C ATOM 830 NH1 ARG A 58 -10.927 -7.781 -7.188 1.00 0.00 N ATOM 831 NH2 ARG A 58 -11.731 -5.644 -6.955 1.00 0.00 N ATOM 0 H ARG A 58 -7.233 -4.694 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.432 -6.660 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.627 -6.844 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.217 -8.196 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.761 -8.811 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.275 -8.173 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.384 -6.264 -6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.257 -7.401 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.327 -5.025 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.142 -8.430 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.882 -8.130 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.564 -4.646 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.685 -5.996 -7.033 1.00 0.00 H new ATOM 845 N VAL A 59 -9.011 -6.837 -1.487 1.00 0.00 N ATOM 846 CA VAL A 59 -8.794 -6.997 -0.055 1.00 0.00 C ATOM 847 C VAL A 59 -9.087 -8.426 0.389 1.00 0.00 C ATOM 848 O VAL A 59 -10.012 -9.066 -0.112 1.00 0.00 O ATOM 849 CB VAL A 59 -9.673 -6.028 0.758 1.00 0.00 C ATOM 850 CG1 VAL A 59 -9.010 -4.663 0.859 1.00 0.00 C ATOM 851 CG2 VAL A 59 -11.056 -5.913 0.135 1.00 0.00 C ATOM 0 H VAL A 59 -9.978 -6.970 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.745 -6.769 0.133 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.786 -6.426 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.645 -3.992 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.044 -4.763 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.865 -4.254 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.664 -5.224 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.966 -5.538 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.531 -6.894 0.120 1.00 0.00 H new ATOM 861 N LYS A 60 -8.294 -8.921 1.333 1.00 0.00 N ATOM 862 CA LYS A 60 -8.469 -10.274 1.848 1.00 0.00 C ATOM 863 C LYS A 60 -8.245 -10.315 3.356 1.00 0.00 C ATOM 864 O LYS A 60 -7.207 -9.877 3.851 1.00 0.00 O ATOM 865 CB LYS A 60 -7.503 -11.235 1.151 1.00 0.00 C ATOM 866 CG LYS A 60 -8.061 -11.840 -0.125 1.00 0.00 C ATOM 867 CD LYS A 60 -7.026 -12.696 -0.835 1.00 0.00 C ATOM 868 CE LYS A 60 -7.680 -13.814 -1.632 1.00 0.00 C ATOM 869 NZ LYS A 60 -6.678 -14.786 -2.150 1.00 0.00 N ATOM 0 H LYS A 60 -7.523 -8.405 1.757 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.493 -10.585 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.580 -10.704 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.243 -12.038 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.936 -12.446 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.395 -11.044 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.432 -12.072 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.341 -13.123 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.400 -14.336 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.237 -13.387 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.164 -15.532 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.006 -14.293 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.164 -15.212 -1.353 1.00 0.00 H new ATOM 883 N SER A 61 -9.225 -10.846 4.081 1.00 0.00 N ATOM 884 CA SER A 61 -9.135 -10.943 5.533 1.00 0.00 C ATOM 885 C SER A 61 -7.822 -11.595 5.954 1.00 0.00 C ATOM 886 O SER A 61 -7.230 -12.367 5.200 1.00 0.00 O ATOM 887 CB SER A 61 -10.315 -11.745 6.086 1.00 0.00 C ATOM 888 OG SER A 61 -11.530 -11.028 5.945 1.00 0.00 O ATOM 0 H SER A 61 -10.090 -11.215 3.686 1.00 0.00 H new ATOM 0 HA SER A 61 -9.167 -9.933 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.389 -12.698 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.143 -11.972 7.138 1.00 0.00 H new ATOM 0 HG SER A 61 -11.344 -10.139 5.576 1.00 0.00 H new ATOM 894 N ILE A 62 -7.372 -11.278 7.163 1.00 0.00 N ATOM 895 CA ILE A 62 -6.130 -11.832 7.686 1.00 0.00 C ATOM 896 C ILE A 62 -6.370 -13.178 8.363 1.00 0.00 C ATOM 897 O ILE A 62 -5.572 -14.105 8.225 1.00 0.00 O ATOM 898 CB ILE A 62 -5.465 -10.875 8.693 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.108 -9.552 8.013 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.226 -11.518 9.297 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.741 -8.453 8.985 1.00 0.00 C ATOM 0 H ILE A 62 -7.850 -10.640 7.799 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.464 -11.970 6.834 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.172 -10.669 9.497 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.274 -9.717 7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.953 -9.224 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.768 -10.829 10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.507 -12.436 9.813 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.514 -11.750 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.500 -7.545 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.582 -8.260 9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.876 -8.761 9.573 1.00 0.00 H new ATOM 913 N SER A 63 -7.476 -13.277 9.093 1.00 0.00 N ATOM 914 CA SER A 63 -7.821 -14.509 9.793 1.00 0.00 C ATOM 915 C SER A 63 -8.820 -15.331 8.985 1.00 0.00 C ATOM 916 O SER A 63 -8.633 -16.530 8.782 1.00 0.00 O ATOM 917 CB SER A 63 -8.403 -14.191 11.172 1.00 0.00 C ATOM 918 OG SER A 63 -9.558 -13.377 11.063 1.00 0.00 O ATOM 0 H SER A 63 -8.148 -12.520 9.215 1.00 0.00 H new ATOM 0 HA SER A 63 -6.910 -15.095 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.655 -15.118 11.686 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.653 -13.684 11.779 1.00 0.00 H new ATOM 0 HG SER A 63 -9.912 -13.190 11.958 1.00 0.00 H new ATOM 924 N MET A 64 -9.883 -14.677 8.527 1.00 0.00 N ATOM 925 CA MET A 64 -10.911 -15.347 7.740 1.00 0.00 C ATOM 926 C MET A 64 -10.330 -15.898 6.442 1.00 0.00 C ATOM 927 O MET A 64 -10.670 -17.003 6.017 1.00 0.00 O ATOM 928 CB MET A 64 -12.056 -14.381 7.430 1.00 0.00 C ATOM 929 CG MET A 64 -13.260 -15.051 6.787 1.00 0.00 C ATOM 930 SD MET A 64 -14.725 -14.001 6.794 1.00 0.00 S ATOM 931 CE MET A 64 -14.678 -13.342 5.129 1.00 0.00 C ATOM 0 H MET A 64 -10.054 -13.684 8.688 1.00 0.00 H new ATOM 0 HA MET A 64 -11.297 -16.181 8.327 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.371 -13.896 8.354 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.690 -13.597 6.767 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.015 -15.320 5.759 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.480 -15.979 7.316 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.524 -12.671 4.979 1.00 0.00 H new ATOM 0 HE2 MET A 64 -13.749 -12.792 4.981 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.733 -14.161 4.412 1.00 0.00 H new ATOM 941 N THR A 65 -9.452 -15.122 5.815 1.00 0.00 N ATOM 942 CA THR A 65 -8.825 -15.532 4.565 1.00 0.00 C ATOM 943 C THR A 65 -7.337 -15.804 4.760 1.00 0.00 C ATOM 944 O THR A 65 -6.664 -15.114 5.526 1.00 0.00 O ATOM 945 CB THR A 65 -9.000 -14.462 3.471 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.386 -14.127 3.332 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.457 -14.956 2.139 1.00 0.00 C ATOM 0 H THR A 65 -9.159 -14.205 6.153 1.00 0.00 H new ATOM 0 HA THR A 65 -9.321 -16.449 4.248 1.00 0.00 H new ATOM 0 HB THR A 65 -8.439 -13.575 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.489 -13.445 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.592 -14.183 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.396 -15.183 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.994 -15.856 1.838 1.00 0.00 H new ATOM 955 N THR A 66 -6.828 -16.814 4.060 1.00 0.00 N ATOM 956 CA THR A 66 -5.420 -17.177 4.156 1.00 0.00 C ATOM 957 C THR A 66 -4.620 -16.584 3.003 1.00 0.00 C ATOM 958 O THR A 66 -5.156 -15.845 2.177 1.00 0.00 O ATOM 959 CB THR A 66 -5.234 -18.706 4.164 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.788 -19.273 2.971 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.900 -19.326 5.383 1.00 0.00 C ATOM 0 H THR A 66 -7.371 -17.395 3.421 1.00 0.00 H new ATOM 0 HA THR A 66 -5.051 -16.769 5.097 1.00 0.00 H new ATOM 0 HB THR A 66 -4.166 -18.920 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.664 -20.245 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.755 -20.406 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.456 -18.914 6.289 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.967 -19.103 5.368 1.00 0.00 H new ATOM 969 N PHE A 67 -3.333 -16.914 2.950 1.00 0.00 N ATOM 970 CA PHE A 67 -2.458 -16.414 1.897 1.00 0.00 C ATOM 971 C PHE A 67 -1.367 -17.429 1.568 1.00 0.00 C ATOM 972 O PHE A 67 -1.221 -18.444 2.250 1.00 0.00 O ATOM 973 CB PHE A 67 -1.825 -15.086 2.318 1.00 0.00 C ATOM 974 CG PHE A 67 -2.830 -14.033 2.685 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.696 -13.520 1.732 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.910 -13.555 3.983 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.621 -12.550 2.067 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.834 -12.585 4.324 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.691 -12.082 3.365 1.00 0.00 C ATOM 0 H PHE A 67 -2.874 -17.526 3.625 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.062 -16.254 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.166 -15.260 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.203 -14.715 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.647 -13.883 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.243 -13.945 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.289 -12.158 1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.886 -12.221 5.339 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.414 -11.325 3.629 1.00 0.00 H new ATOM 989 N THR A 68 -0.603 -17.149 0.517 1.00 0.00 N ATOM 990 CA THR A 68 0.473 -18.037 0.095 1.00 0.00 C ATOM 991 C THR A 68 1.823 -17.333 0.160 1.00 0.00 C ATOM 992 O THR A 68 1.891 -16.105 0.212 1.00 0.00 O ATOM 993 CB THR A 68 0.245 -18.555 -1.337 1.00 0.00 C ATOM 994 OG1 THR A 68 1.426 -19.208 -1.816 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.125 -17.415 -2.273 1.00 0.00 C ATOM 0 H THR A 68 -0.710 -16.313 -0.058 1.00 0.00 H new ATOM 0 HA THR A 68 0.474 -18.883 0.783 1.00 0.00 H new ATOM 0 HB THR A 68 -0.580 -19.267 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.272 -19.536 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.281 -17.806 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.041 -16.939 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.681 -16.682 -2.290 1.00 0.00 H new ATOM 1003 N GLN A 69 2.896 -18.118 0.155 1.00 0.00 N ATOM 1004 CA GLN A 69 4.245 -17.568 0.214 1.00 0.00 C ATOM 1005 C GLN A 69 4.403 -16.409 -0.764 1.00 0.00 C ATOM 1006 O GLN A 69 4.708 -15.286 -0.365 1.00 0.00 O ATOM 1007 CB GLN A 69 5.275 -18.656 -0.096 1.00 0.00 C ATOM 1008 CG GLN A 69 6.711 -18.158 -0.069 1.00 0.00 C ATOM 1009 CD GLN A 69 7.321 -18.209 1.318 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.172 -19.196 2.038 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.013 -17.142 1.700 1.00 0.00 N ATOM 0 H GLN A 69 2.857 -19.136 0.111 1.00 0.00 H new ATOM 0 HA GLN A 69 4.414 -17.193 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.166 -19.465 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.063 -19.076 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.313 -18.761 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.743 -17.133 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.111 -16.346 1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.447 -17.119 2.623 1.00 0.00 H new ATOM 1020 N GLN A 70 4.193 -16.689 -2.046 1.00 0.00 N ATOM 1021 CA GLN A 70 4.313 -15.669 -3.081 1.00 0.00 C ATOM 1022 C GLN A 70 3.611 -14.382 -2.660 1.00 0.00 C ATOM 1023 O GLN A 70 4.041 -13.285 -3.017 1.00 0.00 O ATOM 1024 CB GLN A 70 3.725 -16.177 -4.399 1.00 0.00 C ATOM 1025 CG GLN A 70 2.234 -16.465 -4.329 1.00 0.00 C ATOM 1026 CD GLN A 70 1.558 -16.373 -5.683 1.00 0.00 C ATOM 1027 OE1 GLN A 70 1.225 -15.284 -6.151 1.00 0.00 O ATOM 1028 NE2 GLN A 70 1.352 -17.519 -6.321 1.00 0.00 N ATOM 0 H GLN A 70 3.939 -17.614 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 70 5.372 -15.454 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.907 -15.437 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.249 -17.086 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.079 -17.462 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.763 -15.760 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.644 -18.399 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.902 -17.519 -7.236 1.00 0.00 H new ATOM 1037 N GLU A 71 2.530 -14.524 -1.900 1.00 0.00 N ATOM 1038 CA GLU A 71 1.769 -13.372 -1.432 1.00 0.00 C ATOM 1039 C GLU A 71 2.428 -12.745 -0.207 1.00 0.00 C ATOM 1040 O GLU A 71 2.859 -11.592 -0.243 1.00 0.00 O ATOM 1041 CB GLU A 71 0.333 -13.782 -1.098 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.577 -13.856 -2.313 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.956 -14.389 -1.977 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.087 -15.088 -0.950 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.903 -14.108 -2.740 1.00 0.00 O ATOM 0 H GLU A 71 2.162 -15.425 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 71 1.751 -12.632 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.347 -14.754 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.083 -13.069 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.672 -12.863 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.118 -14.495 -3.067 1.00 0.00 H new ATOM 1052 N ILE A 72 2.503 -13.513 0.875 1.00 0.00 N ATOM 1053 CA ILE A 72 3.110 -13.033 2.110 1.00 0.00 C ATOM 1054 C ILE A 72 4.306 -12.132 1.822 1.00 0.00 C ATOM 1055 O ILE A 72 4.277 -10.936 2.108 1.00 0.00 O ATOM 1056 CB ILE A 72 3.566 -14.202 3.004 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.362 -15.041 3.437 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.319 -13.678 4.218 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.468 -14.343 4.438 1.00 0.00 C ATOM 0 H ILE A 72 2.151 -14.469 0.921 1.00 0.00 H new ATOM 0 HA ILE A 72 2.346 -12.460 2.635 1.00 0.00 H new ATOM 0 HB ILE A 72 4.240 -14.838 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.775 -15.300 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.718 -15.976 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.635 -14.516 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.196 -13.120 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.667 -13.023 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.636 -14.996 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.041 -14.108 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.083 -13.422 4.001 1.00 0.00 H new ATOM 1071 N GLU A 73 5.356 -12.715 1.252 1.00 0.00 N ATOM 1072 CA GLU A 73 6.561 -11.964 0.924 1.00 0.00 C ATOM 1073 C GLU A 73 6.210 -10.628 0.274 1.00 0.00 C ATOM 1074 O GLU A 73 6.569 -9.565 0.781 1.00 0.00 O ATOM 1075 CB GLU A 73 7.458 -12.778 -0.011 1.00 0.00 C ATOM 1076 CG GLU A 73 8.137 -13.955 0.669 1.00 0.00 C ATOM 1077 CD GLU A 73 8.940 -14.803 -0.298 1.00 0.00 C ATOM 1078 OE1 GLU A 73 8.357 -15.727 -0.903 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.152 -14.543 -0.450 1.00 0.00 O ATOM 0 H GLU A 73 5.396 -13.705 1.008 1.00 0.00 H new ATOM 0 HA GLU A 73 7.099 -11.767 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.860 -13.146 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.221 -12.122 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.795 -13.585 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.382 -14.576 1.151 1.00 0.00 H new ATOM 1086 N PHE A 74 5.506 -10.691 -0.851 1.00 0.00 N ATOM 1087 CA PHE A 74 5.107 -9.488 -1.572 1.00 0.00 C ATOM 1088 C PHE A 74 4.621 -8.412 -0.606 1.00 0.00 C ATOM 1089 O PHE A 74 5.034 -7.254 -0.689 1.00 0.00 O ATOM 1090 CB PHE A 74 4.008 -9.816 -2.585 1.00 0.00 C ATOM 1091 CG PHE A 74 3.263 -8.606 -3.073 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.320 -7.986 -2.270 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.507 -8.089 -4.335 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.632 -6.873 -2.717 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.823 -6.976 -4.788 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.885 -6.367 -3.977 1.00 0.00 C ATOM 0 H PHE A 74 5.200 -11.563 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 74 5.979 -9.107 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.452 -10.328 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.301 -10.510 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.120 -8.376 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.240 -8.561 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.898 -6.400 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.022 -6.583 -5.774 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.350 -5.497 -4.328 1.00 0.00 H new ATOM 1106 N LEU A 75 3.739 -8.801 0.308 1.00 0.00 N ATOM 1107 CA LEU A 75 3.195 -7.870 1.291 1.00 0.00 C ATOM 1108 C LEU A 75 4.274 -7.419 2.270 1.00 0.00 C ATOM 1109 O LEU A 75 4.271 -6.276 2.726 1.00 0.00 O ATOM 1110 CB LEU A 75 2.039 -8.521 2.053 1.00 0.00 C ATOM 1111 CG LEU A 75 0.653 -8.377 1.422 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -0.281 -9.463 1.932 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.078 -6.997 1.707 1.00 0.00 C ATOM 0 H LEU A 75 3.385 -9.754 0.389 1.00 0.00 H new ATOM 0 HA LEU A 75 2.824 -6.994 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.257 -9.583 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.006 -8.095 3.056 1.00 0.00 H new ATOM 0 HG LEU A 75 0.752 -8.491 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.262 -9.344 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.124 -10.442 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.376 -9.382 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.908 -6.912 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.007 -6.854 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.737 -6.235 1.291 1.00 0.00 H new ATOM 1125 N GLN A 76 5.195 -8.323 2.586 1.00 0.00 N ATOM 1126 CA GLN A 76 6.280 -8.017 3.510 1.00 0.00 C ATOM 1127 C GLN A 76 7.219 -6.971 2.918 1.00 0.00 C ATOM 1128 O GLN A 76 7.505 -5.951 3.546 1.00 0.00 O ATOM 1129 CB GLN A 76 7.062 -9.287 3.850 1.00 0.00 C ATOM 1130 CG GLN A 76 6.297 -10.252 4.741 1.00 0.00 C ATOM 1131 CD GLN A 76 7.163 -11.386 5.252 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.612 -12.235 4.481 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.402 -11.407 6.558 1.00 0.00 N ATOM 0 H GLN A 76 5.212 -9.273 2.216 1.00 0.00 H new ATOM 0 HA GLN A 76 5.843 -7.612 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.332 -9.796 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.993 -9.009 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.882 -9.707 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.456 -10.665 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.010 -10.683 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.978 -12.147 6.959 1.00 0.00 H new ATOM 1142 N LYS A 77 7.697 -7.230 1.705 1.00 0.00 N ATOM 1143 CA LYS A 77 8.603 -6.311 1.027 1.00 0.00 C ATOM 1144 C LYS A 77 7.982 -4.924 0.906 1.00 0.00 C ATOM 1145 O LYS A 77 8.666 -3.951 0.585 1.00 0.00 O ATOM 1146 CB LYS A 77 8.959 -6.846 -0.362 1.00 0.00 C ATOM 1147 CG LYS A 77 8.065 -6.310 -1.467 1.00 0.00 C ATOM 1148 CD LYS A 77 8.642 -5.049 -2.089 1.00 0.00 C ATOM 1149 CE LYS A 77 8.268 -4.932 -3.559 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.314 -4.215 -4.341 1.00 0.00 N ATOM 0 H LYS A 77 7.471 -8.070 1.171 1.00 0.00 H new ATOM 0 HA LYS A 77 9.512 -6.231 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.994 -6.589 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.896 -7.934 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.940 -7.072 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.075 -6.098 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.277 -4.176 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.727 -5.056 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.121 -5.928 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.319 -4.404 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.023 -4.156 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.437 -3.256 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.214 -4.733 -4.274 1.00 0.00 H new ATOM 1164 N HIS A 78 6.681 -4.838 1.166 1.00 0.00 N ATOM 1165 CA HIS A 78 5.967 -3.569 1.088 1.00 0.00 C ATOM 1166 C HIS A 78 5.717 -2.999 2.481 1.00 0.00 C ATOM 1167 O HIS A 78 6.387 -2.059 2.907 1.00 0.00 O ATOM 1168 CB HIS A 78 4.639 -3.750 0.353 1.00 0.00 C ATOM 1169 CG HIS A 78 4.765 -3.680 -1.138 1.00 0.00 C ATOM 1170 ND1 HIS A 78 4.965 -4.791 -1.930 1.00 0.00 N ATOM 1171 CD2 HIS A 78 4.716 -2.623 -1.982 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.036 -4.420 -3.196 1.00 0.00 C ATOM 1173 NE2 HIS A 78 4.887 -3.109 -3.255 1.00 0.00 N ATOM 0 H HIS A 78 6.100 -5.633 1.433 1.00 0.00 H new ATOM 0 HA HIS A 78 6.588 -2.866 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.209 -4.713 0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.941 -2.982 0.687 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.046 -5.750 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.570 -1.589 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.190 -5.077 -4.039 1.00 0.00 H new ATOM 1181 N GLY A 79 4.748 -3.575 3.186 1.00 0.00 N ATOM 1182 CA GLY A 79 4.427 -3.111 4.523 1.00 0.00 C ATOM 1183 C GLY A 79 4.095 -1.633 4.559 1.00 0.00 C ATOM 1184 O GLY A 79 4.426 -0.893 3.634 1.00 0.00 O ATOM 0 H GLY A 79 4.180 -4.355 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.581 -3.680 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.271 -3.307 5.185 1.00 0.00 H new ATOM 1188 N ASN A 80 3.437 -1.202 5.630 1.00 0.00 N ATOM 1189 CA ASN A 80 3.057 0.198 5.782 1.00 0.00 C ATOM 1190 C ASN A 80 4.284 1.069 6.038 1.00 0.00 C ATOM 1191 O ASN A 80 4.190 2.296 6.066 1.00 0.00 O ATOM 1192 CB ASN A 80 2.058 0.355 6.930 1.00 0.00 C ATOM 1193 CG ASN A 80 0.709 -0.259 6.611 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.519 -0.848 5.546 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.236 -0.125 7.534 1.00 0.00 N ATOM 0 H ASN A 80 3.156 -1.802 6.406 1.00 0.00 H new ATOM 0 HA ASN A 80 2.588 0.525 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.464 -0.112 7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.928 1.414 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.164 -0.518 7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.034 0.371 8.402 1.00 0.00 H new ATOM 1202 N GLU A 81 5.432 0.426 6.222 1.00 0.00 N ATOM 1203 CA GLU A 81 6.677 1.142 6.475 1.00 0.00 C ATOM 1204 C GLU A 81 6.996 2.099 5.330 1.00 0.00 C ATOM 1205 O GLU A 81 7.083 3.311 5.524 1.00 0.00 O ATOM 1206 CB GLU A 81 7.830 0.155 6.667 1.00 0.00 C ATOM 1207 CG GLU A 81 9.178 0.826 6.869 1.00 0.00 C ATOM 1208 CD GLU A 81 10.289 -0.168 7.147 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.165 -1.332 6.711 1.00 0.00 O ATOM 1210 OE2 GLU A 81 11.281 0.217 7.799 1.00 0.00 O ATOM 0 H GLU A 81 5.526 -0.589 6.201 1.00 0.00 H new ATOM 0 HA GLU A 81 6.552 1.724 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.616 -0.478 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.886 -0.499 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.428 1.405 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.109 1.529 7.699 1.00 0.00 H new ATOM 1217 N VAL A 82 7.171 1.544 4.134 1.00 0.00 N ATOM 1218 CA VAL A 82 7.481 2.346 2.957 1.00 0.00 C ATOM 1219 C VAL A 82 6.211 2.738 2.210 1.00 0.00 C ATOM 1220 O VAL A 82 6.115 3.838 1.663 1.00 0.00 O ATOM 1221 CB VAL A 82 8.417 1.591 1.994 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.712 1.213 2.696 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.724 0.358 1.435 1.00 0.00 C ATOM 0 H VAL A 82 7.103 0.542 3.956 1.00 0.00 H new ATOM 0 HA VAL A 82 7.984 3.246 3.310 1.00 0.00 H new ATOM 0 HB VAL A 82 8.662 2.250 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.361 0.680 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.215 2.116 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.490 0.571 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.400 -0.163 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.448 -0.307 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.827 0.659 0.893 1.00 0.00 H new ATOM 1233 N CYS A 83 5.239 1.833 2.191 1.00 0.00 N ATOM 1234 CA CYS A 83 3.973 2.085 1.511 1.00 0.00 C ATOM 1235 C CYS A 83 3.427 3.463 1.870 1.00 0.00 C ATOM 1236 O CYS A 83 3.376 4.361 1.030 1.00 0.00 O ATOM 1237 CB CYS A 83 2.951 1.007 1.875 1.00 0.00 C ATOM 1238 SG CYS A 83 3.128 -0.527 0.933 1.00 0.00 S ATOM 0 H CYS A 83 5.303 0.919 2.638 1.00 0.00 H new ATOM 0 HA CYS A 83 4.154 2.055 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.041 0.781 2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.948 1.404 1.717 1.00 0.00 H new ATOM 0 HG CYS A 83 2.079 -0.701 0.185 1.00 0.00 H new ATOM 1244 N LYS A 84 3.017 3.622 3.124 1.00 0.00 N ATOM 1245 CA LYS A 84 2.473 4.890 3.597 1.00 0.00 C ATOM 1246 C LYS A 84 3.289 6.064 3.065 1.00 0.00 C ATOM 1247 O LYS A 84 2.792 6.873 2.284 1.00 0.00 O ATOM 1248 CB LYS A 84 2.451 4.920 5.126 1.00 0.00 C ATOM 1249 CG LYS A 84 1.583 6.026 5.700 1.00 0.00 C ATOM 1250 CD LYS A 84 0.993 5.632 7.044 1.00 0.00 C ATOM 1251 CE LYS A 84 2.077 5.230 8.032 1.00 0.00 C ATOM 1252 NZ LYS A 84 2.571 6.395 8.817 1.00 0.00 N ATOM 0 H LYS A 84 3.051 2.888 3.832 1.00 0.00 H new ATOM 0 HA LYS A 84 1.453 4.981 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.092 3.959 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.470 5.042 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.176 6.933 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.778 6.257 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.420 6.466 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.297 4.804 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.686 4.473 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.909 4.776 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.309 6.080 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.967 7.107 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.783 6.813 9.351 1.00 0.00 H new ATOM 1266 N GLN A 85 4.545 6.148 3.494 1.00 0.00 N ATOM 1267 CA GLN A 85 5.429 7.222 3.060 1.00 0.00 C ATOM 1268 C GLN A 85 5.323 7.440 1.554 1.00 0.00 C ATOM 1269 O GLN A 85 5.163 8.570 1.091 1.00 0.00 O ATOM 1270 CB GLN A 85 6.877 6.905 3.440 1.00 0.00 C ATOM 1271 CG GLN A 85 7.243 7.337 4.851 1.00 0.00 C ATOM 1272 CD GLN A 85 8.726 7.197 5.137 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.541 7.975 4.640 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.083 6.203 5.942 1.00 0.00 N ATOM 0 H GLN A 85 4.972 5.485 4.141 1.00 0.00 H new ATOM 0 HA GLN A 85 5.120 8.138 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.043 5.832 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.546 7.397 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.945 8.375 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.680 6.739 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.374 5.582 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.067 6.060 6.171 1.00 0.00 H new ATOM 1283 N ILE A 86 5.413 6.353 0.796 1.00 0.00 N ATOM 1284 CA ILE A 86 5.326 6.426 -0.657 1.00 0.00 C ATOM 1285 C ILE A 86 4.055 7.145 -1.096 1.00 0.00 C ATOM 1286 O ILE A 86 4.036 7.821 -2.125 1.00 0.00 O ATOM 1287 CB ILE A 86 5.356 5.024 -1.294 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.770 4.444 -1.236 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.860 5.085 -2.731 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.802 2.932 -1.203 1.00 0.00 C ATOM 0 H ILE A 86 5.546 5.411 1.164 1.00 0.00 H new ATOM 0 HA ILE A 86 6.195 6.989 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 86 4.692 4.369 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.333 4.792 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.276 4.829 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.887 4.087 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.837 5.461 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.500 5.751 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.836 2.591 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.268 2.576 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.325 2.538 -2.101 1.00 0.00 H new ATOM 1302 N TRP A 87 2.996 6.996 -0.309 1.00 0.00 N ATOM 1303 CA TRP A 87 1.720 7.632 -0.615 1.00 0.00 C ATOM 1304 C TRP A 87 1.633 9.013 0.025 1.00 0.00 C ATOM 1305 O TRP A 87 0.770 9.819 -0.328 1.00 0.00 O ATOM 1306 CB TRP A 87 0.561 6.759 -0.133 1.00 0.00 C ATOM 1307 CG TRP A 87 0.486 5.434 -0.830 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.845 4.218 -0.321 1.00 0.00 C ATOM 1309 CD2 TRP A 87 0.024 5.192 -2.163 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.634 3.236 -1.258 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.130 3.807 -2.396 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.470 6.011 -3.182 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.239 3.226 -3.607 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.836 5.432 -4.383 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.720 4.051 -4.587 1.00 0.00 C ATOM 0 H TRP A 87 2.996 6.440 0.546 1.00 0.00 H new ATOM 0 HA TRP A 87 1.651 7.748 -1.697 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.663 6.592 0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.376 7.295 -0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.237 4.053 0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.822 2.242 -1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.564 7.077 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.149 2.162 -3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.218 6.055 -5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.016 3.629 -5.536 1.00 0.00 H new ATOM 1326 N LEU A 88 2.530 9.281 0.968 1.00 0.00 N ATOM 1327 CA LEU A 88 2.554 10.566 1.658 1.00 0.00 C ATOM 1328 C LEU A 88 3.779 11.379 1.252 1.00 0.00 C ATOM 1329 O LEU A 88 4.189 12.299 1.959 1.00 0.00 O ATOM 1330 CB LEU A 88 2.548 10.354 3.173 1.00 0.00 C ATOM 1331 CG LEU A 88 1.610 9.265 3.694 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.107 9.614 5.086 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.442 9.064 2.739 1.00 0.00 C ATOM 0 H LEU A 88 3.250 8.626 1.272 1.00 0.00 H new ATOM 0 HA LEU A 88 1.661 11.121 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.563 10.114 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.279 11.296 3.651 1.00 0.00 H new ATOM 0 HG LEU A 88 2.169 8.331 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.441 8.827 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.954 9.706 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.565 10.559 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.215 8.285 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.116 9.996 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.819 8.767 1.760 1.00 0.00 H new ATOM 1345 N GLY A 89 4.359 11.034 0.106 1.00 0.00 N ATOM 1346 CA GLY A 89 5.530 11.743 -0.376 1.00 0.00 C ATOM 1347 C GLY A 89 5.371 13.249 -0.292 1.00 0.00 C ATOM 1348 O GLY A 89 6.262 13.948 0.191 1.00 0.00 O ATOM 0 H GLY A 89 4.039 10.276 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.400 11.439 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.723 11.458 -1.410 1.00 0.00 H new ATOM 1352 N LEU A 90 4.236 13.749 -0.766 1.00 0.00 N ATOM 1353 CA LEU A 90 3.964 15.182 -0.744 1.00 0.00 C ATOM 1354 C LEU A 90 3.161 15.566 0.495 1.00 0.00 C ATOM 1355 O LEU A 90 3.352 16.641 1.063 1.00 0.00 O ATOM 1356 CB LEU A 90 3.204 15.596 -2.006 1.00 0.00 C ATOM 1357 CG LEU A 90 4.064 15.998 -3.205 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.186 16.390 -4.384 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.999 17.139 -2.832 1.00 0.00 C ATOM 0 H LEU A 90 3.489 13.184 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 90 4.919 15.707 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.561 14.769 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.552 16.432 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 90 4.669 15.140 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.815 16.673 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.558 15.545 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.555 17.233 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.603 17.412 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.412 18.000 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.652 16.823 -2.018 1.00 0.00 H new ATOM 1371 N PHE A 91 2.263 14.678 0.910 1.00 0.00 N ATOM 1372 CA PHE A 91 1.432 14.922 2.083 1.00 0.00 C ATOM 1373 C PHE A 91 2.270 15.453 3.242 1.00 0.00 C ATOM 1374 O PHE A 91 3.325 14.905 3.562 1.00 0.00 O ATOM 1375 CB PHE A 91 0.715 13.638 2.503 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.221 13.825 3.663 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.269 14.133 4.922 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.589 13.694 3.494 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.590 14.305 5.991 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.453 13.866 4.559 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.953 14.173 5.809 1.00 0.00 C ATOM 0 H PHE A 91 2.092 13.783 0.451 1.00 0.00 H new ATOM 0 HA PHE A 91 0.689 15.675 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.154 13.250 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.459 12.885 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.334 14.240 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.986 13.455 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.196 14.542 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.518 13.760 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.626 14.310 6.643 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.598 13.552 8.392 1.00 0.00 N ATOM 1491 CA PRO A 99 -10.037 13.348 8.588 1.00 0.00 C ATOM 1492 C PRO A 99 -10.339 12.504 9.822 1.00 0.00 C ATOM 1493 O PRO A 99 -9.433 12.124 10.564 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.467 12.611 7.318 1.00 0.00 C ATOM 1495 CG PRO A 99 -9.234 11.925 6.841 1.00 0.00 C ATOM 1496 CD PRO A 99 -8.088 12.823 7.218 1.00 0.00 C ATOM 0 HA PRO A 99 -10.564 14.288 8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.263 11.896 7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.849 13.304 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.129 10.944 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.268 11.767 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.192 12.251 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.825 13.502 6.406 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.618 12.213 10.035 1.00 0.00 N ATOM 1505 CA ASP A 100 -12.040 11.412 11.178 1.00 0.00 C ATOM 1506 C ASP A 100 -12.094 9.932 10.814 1.00 0.00 C ATOM 1507 O ASP A 100 -12.349 9.573 9.664 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.409 11.878 11.676 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.400 13.326 12.124 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -13.229 14.213 11.261 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.565 13.573 13.337 1.00 0.00 O ATOM 0 H ASP A 100 -12.380 12.520 9.431 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.308 11.545 11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.144 11.751 10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.725 11.246 12.506 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.850 9.076 11.801 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.869 7.634 11.584 1.00 0.00 C ATOM 1518 C PHE A 101 -13.105 7.004 12.219 1.00 0.00 C ATOM 1519 O PHE A 101 -13.032 5.926 12.810 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.604 6.994 12.159 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.368 7.822 11.957 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.896 8.087 10.682 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.677 8.336 13.043 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.759 8.850 10.493 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.540 9.100 12.860 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.080 9.356 11.583 1.00 0.00 C ATOM 0 H PHE A 101 -11.637 9.356 12.758 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.903 7.454 10.509 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.746 6.822 13.226 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.458 6.018 11.696 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.423 7.693 9.825 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.031 8.137 14.044 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.402 9.050 9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.012 9.496 13.715 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.191 9.951 11.438 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.240 7.685 12.094 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.492 7.195 12.657 1.00 0.00 C ATOM 1538 C ARG A 102 -16.572 7.102 11.583 1.00 0.00 C ATOM 1539 O ARG A 102 -17.618 6.488 11.791 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.960 8.111 13.789 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.999 9.581 13.406 1.00 0.00 C ATOM 1542 CD ARG A 102 -17.078 10.329 14.174 1.00 0.00 C ATOM 1543 NE ARG A 102 -16.859 11.773 14.159 1.00 0.00 N ATOM 1544 CZ ARG A 102 -17.817 12.664 14.386 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -19.054 12.261 14.644 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -17.540 13.961 14.356 1.00 0.00 N ATOM 0 H ARG A 102 -14.318 8.578 11.607 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.315 6.197 13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.955 7.801 14.108 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -15.297 7.985 14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.028 10.036 13.604 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -16.182 9.674 12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -18.053 10.106 13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -17.100 9.976 15.205 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.918 12.116 13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -19.271 11.265 14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -19.788 12.947 14.818 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.590 14.275 14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.277 14.644 14.531 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.311 7.717 10.435 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.260 7.704 9.327 1.00 0.00 C ATOM 1562 C ASP A 103 -16.585 7.242 8.039 1.00 0.00 C ATOM 1563 O ASP A 103 -15.560 7.779 7.620 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.865 9.095 9.130 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.900 9.431 10.186 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.659 9.121 11.372 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.950 10.003 9.828 1.00 0.00 O ATOM 0 H ASP A 103 -15.450 8.231 10.247 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.057 7.001 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -17.070 9.840 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.325 9.152 8.143 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.173 6.222 7.396 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.646 5.665 6.147 1.00 0.00 C ATOM 1574 C PRO A 104 -16.803 6.625 4.972 1.00 0.00 C ATOM 1575 O PRO A 104 -16.082 6.528 3.980 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.497 4.411 5.931 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.770 4.689 6.653 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.398 5.535 7.839 1.00 0.00 C ATOM 0 HA PRO A 104 -15.576 5.465 6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.674 4.231 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.003 3.524 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.478 5.210 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.249 3.763 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.187 6.243 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.220 4.927 8.726 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.750 7.550 5.093 1.00 0.00 N ATOM 1587 CA GLN A 105 -18.001 8.527 4.040 1.00 0.00 C ATOM 1588 C GLN A 105 -16.841 9.509 3.921 1.00 0.00 C ATOM 1589 O GLN A 105 -16.395 9.830 2.819 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.301 9.284 4.317 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.905 9.928 3.079 1.00 0.00 C ATOM 1592 CD GLN A 105 -19.245 11.245 2.724 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -18.779 11.975 3.600 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -19.200 11.557 1.435 1.00 0.00 N ATOM 0 H GLN A 105 -18.355 7.643 5.909 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.096 7.990 3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -20.027 8.596 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.110 10.056 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -19.814 9.242 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.970 10.092 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.598 10.923 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.767 12.431 1.137 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.357 9.986 5.063 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.248 10.932 5.089 1.00 0.00 C ATOM 1605 C LYS A 106 -13.937 10.244 4.722 1.00 0.00 C ATOM 1606 O LYS A 106 -13.226 10.681 3.817 1.00 0.00 O ATOM 1607 CB LYS A 106 -15.130 11.573 6.473 1.00 0.00 C ATOM 1608 CG LYS A 106 -16.370 12.342 6.895 1.00 0.00 C ATOM 1609 CD LYS A 106 -16.449 13.694 6.207 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.524 14.708 6.863 1.00 0.00 C ATOM 1611 NZ LYS A 106 -16.029 15.138 8.197 1.00 0.00 N ATOM 0 H LYS A 106 -16.716 9.732 5.983 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.449 11.709 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.928 10.795 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.274 12.248 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.259 11.759 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.362 12.483 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.183 13.584 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -17.475 14.061 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.530 14.275 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.422 15.579 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.527 15.998 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.048 15.336 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.865 14.381 8.891 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.623 9.163 5.430 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.398 8.413 5.177 1.00 0.00 C ATOM 1627 C VAL A 107 -12.267 8.056 3.701 1.00 0.00 C ATOM 1628 O VAL A 107 -11.192 8.178 3.114 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.350 7.120 6.013 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.179 6.250 5.583 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.265 7.448 7.496 1.00 0.00 C ATOM 0 H VAL A 107 -14.200 8.787 6.183 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.567 9.056 5.467 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.270 6.561 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.161 5.341 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.288 5.987 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.247 6.798 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.232 6.523 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.363 8.028 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.139 8.028 7.791 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.369 7.614 3.105 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.380 7.240 1.696 1.00 0.00 C ATOM 1643 C LYS A 108 -12.883 8.388 0.824 1.00 0.00 C ATOM 1644 O LYS A 108 -11.978 8.213 0.008 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.792 6.834 1.265 1.00 0.00 C ATOM 1646 CG LYS A 108 -14.871 6.334 -0.167 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.030 5.370 -0.358 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.375 5.198 -1.829 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.970 6.435 -2.408 1.00 0.00 N ATOM 0 H LYS A 108 -14.267 7.506 3.577 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.709 6.391 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.157 6.054 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.458 7.689 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.986 7.181 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -13.937 5.839 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.774 4.402 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.903 5.738 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.475 4.934 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.075 4.370 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.492 6.196 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.621 6.863 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.213 7.111 -2.635 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.478 9.563 1.004 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.093 10.740 0.234 1.00 0.00 C ATOM 1665 C GLU A 109 -11.591 10.987 0.332 1.00 0.00 C ATOM 1666 O GLU A 109 -10.870 10.903 -0.663 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.857 11.971 0.727 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.361 11.872 0.535 1.00 0.00 C ATOM 1669 CD GLU A 109 -16.015 13.226 0.337 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -16.191 13.950 1.339 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.350 13.561 -0.818 1.00 0.00 O ATOM 0 H GLU A 109 -14.228 9.725 1.676 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.346 10.558 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.644 12.121 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.489 12.851 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.572 11.241 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.803 11.383 1.403 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.125 11.293 1.538 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.708 11.555 1.767 1.00 0.00 C ATOM 1680 C PHE A 110 -8.844 10.489 1.100 1.00 0.00 C ATOM 1681 O PHE A 110 -7.849 10.801 0.445 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.413 11.601 3.268 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.946 11.568 3.591 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.206 10.413 3.396 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.308 12.692 4.090 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.857 10.379 3.692 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.959 12.664 4.388 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.232 11.506 4.190 1.00 0.00 C ATOM 0 H PHE A 110 -11.707 11.366 2.372 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.466 12.522 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.849 12.507 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.903 10.757 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.690 9.529 3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.871 13.600 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.292 9.472 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.473 13.547 4.776 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.178 11.482 4.424 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.231 9.229 1.272 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.492 8.116 0.688 1.00 0.00 C ATOM 1700 C LEU A 111 -8.435 8.237 -0.832 1.00 0.00 C ATOM 1701 O LEU A 111 -7.403 7.970 -1.447 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.139 6.786 1.081 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.640 6.155 2.381 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.359 4.842 2.647 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.134 5.940 2.326 1.00 0.00 C ATOM 0 H LEU A 111 -10.052 8.954 1.811 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.473 8.146 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.215 6.939 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.980 6.074 0.271 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.859 6.838 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.991 4.407 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.430 5.024 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.172 4.152 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.796 5.490 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.891 5.277 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.635 6.898 2.184 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.550 8.644 -1.430 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.626 8.803 -2.877 1.00 0.00 C ATOM 1719 C GLN A 112 -8.586 9.803 -3.371 1.00 0.00 C ATOM 1720 O GLN A 112 -8.001 9.627 -4.439 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.027 9.261 -3.288 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.079 8.169 -3.184 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.314 8.468 -4.011 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.530 9.603 -4.437 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.133 7.449 -4.242 1.00 0.00 N ATOM 0 H GLN A 112 -10.413 8.870 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.419 7.836 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.324 10.101 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.994 9.626 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.648 7.222 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.367 8.045 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.915 6.525 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.980 7.590 -4.792 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.361 10.852 -2.585 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.392 11.880 -2.945 1.00 0.00 C ATOM 1736 C GLU A 113 -5.978 11.306 -2.980 1.00 0.00 C ATOM 1737 O GLU A 113 -5.066 11.907 -3.548 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.457 13.043 -1.952 1.00 0.00 C ATOM 1739 CG GLU A 113 -8.815 13.723 -1.901 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.297 14.167 -3.269 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.868 15.246 -3.729 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.104 13.434 -3.879 1.00 0.00 O ATOM 0 H GLU A 113 -8.836 11.012 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.642 12.247 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.207 12.675 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.700 13.781 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.544 13.038 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.759 14.589 -1.241 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.804 10.140 -2.369 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.503 9.483 -2.329 1.00 0.00 C ATOM 1751 C LYS A 114 -4.460 8.303 -3.295 1.00 0.00 C ATOM 1752 O LYS A 114 -3.387 7.882 -3.728 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.193 9.004 -0.909 1.00 0.00 C ATOM 1754 CG LYS A 114 -2.973 8.103 -0.824 1.00 0.00 C ATOM 1755 CD LYS A 114 -2.900 7.389 0.516 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.195 8.239 1.562 1.00 0.00 C ATOM 1757 NZ LYS A 114 -3.138 9.156 2.259 1.00 0.00 N ATOM 0 H LYS A 114 -6.548 9.630 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.749 10.208 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.039 9.872 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.058 8.468 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.006 7.368 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.070 8.696 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.907 7.150 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.371 6.443 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.713 7.590 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.407 8.822 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.760 10.125 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.061 9.134 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.253 8.851 3.247 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.632 7.776 -3.630 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.728 6.644 -4.544 1.00 0.00 C ATOM 1773 C TYR A 115 -6.260 7.086 -5.904 1.00 0.00 C ATOM 1774 O TYR A 115 -5.634 6.843 -6.936 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.635 5.561 -3.956 1.00 0.00 C ATOM 1776 CG TYR A 115 -6.032 4.845 -2.769 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.705 4.434 -2.782 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.789 4.581 -1.635 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.150 3.778 -1.700 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.242 3.927 -0.547 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.923 3.528 -0.585 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.373 2.876 0.496 1.00 0.00 O ATOM 0 H TYR A 115 -6.529 8.115 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.727 6.234 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.580 6.014 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.865 4.831 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.097 4.631 -3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.823 4.892 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.117 3.463 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.844 3.730 0.328 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.049 2.779 1.199 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.420 7.736 -5.896 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.037 8.211 -7.129 1.00 0.00 C ATOM 1794 C GLU A 116 -7.267 9.400 -7.699 1.00 0.00 C ATOM 1795 O GLU A 116 -6.835 9.379 -8.851 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.493 8.606 -6.876 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.474 7.460 -7.055 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.844 7.929 -7.506 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.318 8.960 -6.985 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.441 7.265 -8.378 1.00 0.00 O ATOM 0 H GLU A 116 -7.951 7.945 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.009 7.400 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.584 8.996 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.764 9.415 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.076 6.757 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.571 6.919 -6.113 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.101 10.435 -6.883 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.384 11.633 -7.303 1.00 0.00 C ATOM 1809 C LYS A 117 -4.876 11.437 -7.178 1.00 0.00 C ATOM 1810 O LYS A 117 -4.097 12.052 -7.907 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.824 12.836 -6.465 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.331 12.973 -6.342 1.00 0.00 C ATOM 1813 CD LYS A 117 -8.955 13.455 -7.641 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.434 13.766 -7.467 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.276 12.544 -7.590 1.00 0.00 N ATOM 0 H LYS A 117 -7.453 10.468 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.623 11.820 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.393 12.750 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.420 13.745 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.763 12.012 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.569 13.673 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.433 14.347 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.830 12.693 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.597 14.222 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.742 14.496 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.277 12.798 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.140 12.122 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.000 11.857 -6.860 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.471 10.576 -6.251 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.057 10.296 -6.031 1.00 0.00 C ATOM 1831 C LYS A 118 -2.261 11.590 -5.894 1.00 0.00 C ATOM 1832 O LYS A 118 -1.133 11.690 -6.376 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.497 9.460 -7.185 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.611 7.962 -6.962 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.301 7.184 -8.230 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.343 5.683 -7.987 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.361 4.916 -9.263 1.00 0.00 N ATOM 0 H LYS A 118 -5.103 10.059 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.963 9.733 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.024 9.723 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.448 9.718 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.926 7.658 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.618 7.719 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.020 7.448 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.315 7.466 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.476 5.386 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.228 5.434 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.390 3.897 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.202 5.181 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.504 5.134 -9.811 1.00 0.00 H new ATOM 1851 N ARG A 119 -2.856 12.578 -5.233 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.202 13.865 -5.032 1.00 0.00 C ATOM 1853 C ARG A 119 -0.849 13.686 -4.349 1.00 0.00 C ATOM 1854 O ARG A 119 0.162 14.221 -4.804 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.090 14.787 -4.195 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.282 14.313 -2.763 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.444 15.028 -2.091 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.051 16.329 -1.557 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.907 17.319 -1.332 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.197 17.158 -1.593 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.473 18.474 -0.843 1.00 0.00 N ATOM 0 H ARG A 119 -3.790 12.511 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.039 14.318 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -2.653 15.785 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -4.065 14.872 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.461 13.238 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.368 14.488 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.253 15.160 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.833 14.408 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.066 16.486 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.535 16.272 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.852 17.921 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.482 18.602 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.131 19.234 -0.670 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.839 12.933 -3.255 1.00 0.00 N ATOM 1876 CA TRP A 120 0.389 12.685 -2.509 1.00 0.00 C ATOM 1877 C TRP A 120 1.083 11.423 -3.008 1.00 0.00 C ATOM 1878 O TRP A 120 1.813 10.768 -2.262 1.00 0.00 O ATOM 1879 CB TRP A 120 0.087 12.560 -1.015 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.813 13.641 -0.498 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.519 14.970 -0.389 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.154 13.485 -0.020 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.595 15.649 0.129 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.611 14.761 0.363 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.013 12.391 0.120 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.888 14.970 0.878 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.280 12.601 0.631 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.708 13.882 1.004 1.00 0.00 C ATOM 0 H TRP A 120 -1.667 12.484 -2.865 1.00 0.00 H new ATOM 0 HA TRP A 120 1.058 13.531 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.375 11.591 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.024 12.581 -0.459 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.421 15.421 -0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.631 16.652 0.310 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.693 11.400 -0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.219 15.956 1.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.952 11.763 0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.705 14.013 1.399 1.00 0.00 H new ATOM 1899 N TYR A 121 0.852 11.086 -4.272 1.00 0.00 N ATOM 1900 CA TYR A 121 1.454 9.899 -4.869 1.00 0.00 C ATOM 1901 C TYR A 121 2.893 10.174 -5.295 1.00 0.00 C ATOM 1902 O TYR A 121 3.157 11.085 -6.080 1.00 0.00 O ATOM 1903 CB TYR A 121 0.633 9.436 -6.073 1.00 0.00 C ATOM 1904 CG TYR A 121 1.270 8.300 -6.840 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.684 7.143 -6.190 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.458 8.382 -8.214 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.267 6.103 -6.887 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.039 7.345 -8.919 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.442 6.208 -8.251 1.00 0.00 C ATOM 1910 OH TYR A 121 3.022 5.173 -8.948 1.00 0.00 O ATOM 0 H TYR A 121 0.252 11.618 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 121 1.461 9.109 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.354 9.124 -5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.484 10.280 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.547 7.056 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.145 9.272 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.584 5.212 -6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.177 7.425 -9.987 1.00 0.00 H new ATOM 0 HH TYR A 121 3.071 5.406 -9.899 1.00 0.00 H new ATOM 1920 N VAL A 122 3.820 9.378 -4.772 1.00 0.00 N ATOM 1921 CA VAL A 122 5.233 9.533 -5.099 1.00 0.00 C ATOM 1922 C VAL A 122 5.964 8.197 -5.024 1.00 0.00 C ATOM 1923 O VAL A 122 6.249 7.677 -3.945 1.00 0.00 O ATOM 1924 CB VAL A 122 5.921 10.536 -4.154 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.414 10.601 -4.438 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.285 11.912 -4.282 1.00 0.00 C ATOM 0 H VAL A 122 3.618 8.620 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 122 5.282 9.914 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 122 5.786 10.193 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.883 11.315 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.856 9.616 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.575 10.919 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.784 12.608 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.387 12.266 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.228 11.850 -4.023 1.00 0.00 H new ATOM 1936 N PRO A 123 6.275 7.627 -6.197 1.00 0.00 N ATOM 1937 CA PRO A 123 6.978 6.344 -6.292 1.00 0.00 C ATOM 1938 C PRO A 123 8.432 6.446 -5.844 1.00 0.00 C ATOM 1939 O PRO A 123 9.083 7.480 -5.995 1.00 0.00 O ATOM 1940 CB PRO A 123 6.900 6.006 -7.783 1.00 0.00 C ATOM 1941 CG PRO A 123 6.755 7.324 -8.463 1.00 0.00 C ATOM 1942 CD PRO A 123 5.965 8.191 -7.522 1.00 0.00 C ATOM 0 HA PRO A 123 6.534 5.587 -5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.796 5.484 -8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.053 5.354 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.730 7.764 -8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.241 7.216 -9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.263 9.237 -7.593 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.897 8.149 -7.737 1.00 0.00 H new ATOM 1950 N PRO A 124 8.956 5.348 -5.279 1.00 0.00 N ATOM 1951 CA PRO A 124 10.340 5.288 -4.798 1.00 0.00 C ATOM 1952 C PRO A 124 11.351 5.303 -5.939 1.00 0.00 C ATOM 1953 O PRO A 124 12.354 6.013 -5.882 1.00 0.00 O ATOM 1954 CB PRO A 124 10.398 3.955 -4.049 1.00 0.00 C ATOM 1955 CG PRO A 124 9.329 3.124 -4.671 1.00 0.00 C ATOM 1956 CD PRO A 124 8.238 4.080 -5.066 1.00 0.00 C ATOM 0 HA PRO A 124 10.595 6.150 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.376 3.485 -4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.222 4.092 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.709 2.585 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.958 2.377 -3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.724 3.752 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.483 4.172 -4.286 1.00 0.00 H new ATOM 1964 N GLU A 125 11.079 4.514 -6.974 1.00 0.00 N ATOM 1965 CA GLU A 125 11.967 4.437 -8.128 1.00 0.00 C ATOM 1966 C GLU A 125 12.528 5.813 -8.476 1.00 0.00 C ATOM 1967 O GLU A 125 13.610 5.926 -9.052 1.00 0.00 O ATOM 1968 CB GLU A 125 11.224 3.858 -9.334 1.00 0.00 C ATOM 1969 CG GLU A 125 9.970 4.631 -9.706 1.00 0.00 C ATOM 1970 CD GLU A 125 9.484 4.316 -11.107 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.195 3.133 -11.382 1.00 0.00 O ATOM 1972 OE2 GLU A 125 9.391 5.253 -11.927 1.00 0.00 O ATOM 0 H GLU A 125 10.252 3.920 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 125 12.797 3.779 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.897 3.841 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.953 2.824 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.180 4.400 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.170 5.700 -9.627 1.00 0.00 H new ATOM 1979 N GLN A 126 11.784 6.856 -8.122 1.00 0.00 N ATOM 1980 CA GLN A 126 12.205 8.224 -8.398 1.00 0.00 C ATOM 1981 C GLN A 126 12.693 8.910 -7.126 1.00 0.00 C ATOM 1982 O GLN A 126 13.651 9.681 -7.154 1.00 0.00 O ATOM 1983 CB GLN A 126 11.054 9.021 -9.013 1.00 0.00 C ATOM 1984 CG GLN A 126 11.430 10.447 -9.382 1.00 0.00 C ATOM 1985 CD GLN A 126 12.005 10.556 -10.780 1.00 0.00 C ATOM 1986 OE1 GLN A 126 13.221 10.641 -10.959 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.133 10.553 -11.781 1.00 0.00 N ATOM 0 H GLN A 126 10.887 6.779 -7.643 1.00 0.00 H new ATOM 0 HA GLN A 126 13.031 8.187 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.702 8.504 -9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.222 9.044 -8.309 1.00 0.00 H new ATOM 0 HG2 GLN A 126 10.548 11.083 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.158 10.824 -8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.134 10.481 -11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 126 11.462 10.623 -12.744 1.00 0.00 H new