USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 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 NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -90:sc= -0.395 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -4.36! C(o=-6.4!,f=-4.8!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 162:sc= -2.66! (180deg=-3.23!) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.29 K(o=-2.9,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= -1.1 (180deg=-1.45) USER MOD Single : A 16 GLN : amide:sc= -0.26 X(o=-0.26,f=0.037) USER MOD Single : A 18 HIS : no HE2:sc= -17.6! C(o=-18!,f=-20!) USER MOD Single : A 19 THR OG1 : rot -120:sc= -4.09! USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -3.91! (180deg=-8.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.0227 K(o=0.023,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.125 (180deg=-0.766) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 31 ASN : amide:sc= -4.06! C(o=-4.1!,f=-8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.23) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc= -5.16! (180deg=-9.71!) USER MOD Single : A 40 THR OG1 : rot 43:sc= -4.35! USER MOD Single : A 42 GLN : amide:sc= -14.2! C(o=-14!,f=-17!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.25 F(o=-3.3!,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= -3.67! (180deg=-8.72!) USER MOD Single : A 54 ASN :FLIP amide:sc= -3.82 F(o=-9!,f=-3.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 61:sc= 0.13! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 173:sc= -4.9! (180deg=-5.37!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0529 (180deg=-0.0529) USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= -0.646 (180deg=-1.43) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0269 USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.77! USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.0156 (180deg=-0.16) USER MOD Single : A 80 MET CE :methyl -130:sc= -8.12! (180deg=-12.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.265 (180deg=-0.819) USER MOD Single : A 88 LYS NZ :NH3+ -107:sc= -4.47! (180deg=-7.89!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= -9.91! (180deg=-11.6!) USER MOD Single : A 100 LYS NZ :NH3+ 132:sc= -3.92! (180deg=-6.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.728 4.227 -1.172 1.00 0.00 N ATOM 2 CA GLY A 1 -17.345 4.269 -0.622 1.00 0.00 C ATOM 3 C GLY A 1 -16.830 5.685 -0.451 1.00 0.00 C ATOM 4 O GLY A 1 -16.721 6.433 -1.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.033 3.237 -1.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.373 4.726 -0.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.745 4.688 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.325 3.760 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.677 3.721 -1.286 1.00 0.00 H new ATOM 10 N ASP A 2 -16.491 6.007 0.802 1.00 0.00 N ATOM 11 CA ASP A 2 -15.985 7.343 1.096 1.00 0.00 C ATOM 12 C ASP A 2 -14.542 7.281 1.585 1.00 0.00 C ATOM 13 O ASP A 2 -14.085 6.247 2.074 1.00 0.00 O ATOM 14 CB ASP A 2 -16.864 8.023 2.147 1.00 0.00 C ATOM 15 CG ASP A 2 -18.343 7.807 1.892 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.698 7.399 0.765 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.153 8.019 2.873 1.00 0.00 O ATOM 0 H ASP A 2 -16.556 5.380 1.604 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.013 7.927 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.608 7.638 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.652 9.092 2.157 1.00 0.00 H new ATOM 22 N VAL A 3 -13.830 8.394 1.450 1.00 0.00 N ATOM 23 CA VAL A 3 -12.437 8.468 1.879 1.00 0.00 C ATOM 24 C VAL A 3 -12.320 8.234 3.439 1.00 0.00 C ATOM 25 O VAL A 3 -11.417 7.541 3.908 1.00 0.00 O ATOM 26 CB VAL A 3 -11.804 9.821 1.507 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.760 10.224 2.537 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.196 9.760 0.114 1.00 0.00 C ATOM 0 H VAL A 3 -14.194 9.258 1.047 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.894 7.680 1.357 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.587 10.580 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.324 11.183 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.230 10.312 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.977 9.467 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.753 10.725 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.425 8.990 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.973 9.522 -0.612 1.00 0.00 H new ATOM 38 N GLU A 4 -13.235 8.837 4.192 1.00 0.00 N ATOM 39 CA GLU A 4 -13.228 8.716 5.646 1.00 0.00 C ATOM 40 C GLU A 4 -13.347 7.255 6.067 1.00 0.00 C ATOM 41 O GLU A 4 -12.610 6.788 6.937 1.00 0.00 O ATOM 42 CB GLU A 4 -14.373 9.529 6.252 1.00 0.00 C ATOM 43 CG GLU A 4 -14.506 9.363 7.756 1.00 0.00 C ATOM 44 CD GLU A 4 -15.840 9.857 8.281 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.616 9.031 8.804 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.107 11.074 8.170 1.00 0.00 O ATOM 0 H GLU A 4 -13.990 9.414 3.820 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.280 9.108 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.220 10.584 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.309 9.233 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.385 8.311 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.701 9.907 8.251 1.00 0.00 H new ATOM 53 N LYS A 5 -14.275 6.537 5.445 1.00 0.00 N ATOM 54 CA LYS A 5 -14.488 5.130 5.757 1.00 0.00 C ATOM 55 C LYS A 5 -13.265 4.301 5.379 1.00 0.00 C ATOM 56 O LYS A 5 -12.894 3.363 6.087 1.00 0.00 O ATOM 57 CB LYS A 5 -15.721 4.604 5.019 1.00 0.00 C ATOM 58 CG LYS A 5 -16.976 5.422 5.274 1.00 0.00 C ATOM 59 CD LYS A 5 -18.184 4.531 5.520 1.00 0.00 C ATOM 60 CE LYS A 5 -19.054 4.419 4.279 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.160 3.013 3.799 1.00 0.00 N ATOM 0 H LYS A 5 -14.892 6.907 4.722 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.650 5.041 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.516 4.592 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.902 3.572 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.820 6.070 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.169 6.070 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.850 3.539 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.773 4.934 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.050 4.804 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.639 5.042 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.762 2.980 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.212 2.654 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.580 2.422 4.545 1.00 0.00 H new ATOM 75 N GLY A 6 -12.641 4.655 4.261 1.00 0.00 N ATOM 76 CA GLY A 6 -11.466 3.936 3.807 1.00 0.00 C ATOM 77 C GLY A 6 -10.311 4.047 4.774 1.00 0.00 C ATOM 78 O GLY A 6 -9.607 3.072 5.026 1.00 0.00 O ATOM 0 H GLY A 6 -12.929 5.428 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.719 2.885 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.160 4.323 2.835 1.00 0.00 H new ATOM 82 N LYS A 7 -10.109 5.244 5.301 1.00 0.00 N ATOM 83 CA LYS A 7 -9.020 5.483 6.229 1.00 0.00 C ATOM 84 C LYS A 7 -9.118 4.559 7.437 1.00 0.00 C ATOM 85 O LYS A 7 -8.123 3.986 7.878 1.00 0.00 O ATOM 86 CB LYS A 7 -9.009 6.946 6.677 1.00 0.00 C ATOM 87 CG LYS A 7 -8.297 7.171 8.001 1.00 0.00 C ATOM 88 CD LYS A 7 -9.253 7.683 9.067 1.00 0.00 C ATOM 89 CE LYS A 7 -8.684 8.894 9.787 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.249 10.169 9.262 1.00 0.00 N ATOM 0 H LYS A 7 -10.684 6.062 5.101 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.084 5.269 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.527 7.549 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.037 7.299 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.844 6.238 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.487 7.887 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.206 7.946 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.454 6.891 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.896 8.815 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.600 8.905 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.836 10.971 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.025 10.257 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.281 10.170 9.390 1.00 0.00 H new ATOM 104 N LYS A 8 -10.198 4.546 8.193 1.00 0.00 N ATOM 105 CA LYS A 8 -10.537 3.606 9.144 1.00 0.00 C ATOM 106 C LYS A 8 -10.314 2.137 8.801 1.00 0.00 C ATOM 107 O LYS A 8 -9.843 1.357 9.633 1.00 0.00 O ATOM 108 CB LYS A 8 -12.000 3.835 9.528 1.00 0.00 C ATOM 109 CG LYS A 8 -12.684 2.597 10.085 1.00 0.00 C ATOM 110 CD LYS A 8 -13.417 1.828 8.997 1.00 0.00 C ATOM 111 CE LYS A 8 -13.826 0.444 9.473 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.768 -0.570 9.205 1.00 0.00 N ATOM 0 H LYS A 8 -10.902 5.281 8.119 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.839 3.770 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.052 4.633 10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.548 4.179 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.942 1.950 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.389 2.889 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.302 2.385 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.777 1.738 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.037 0.475 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.749 0.147 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.934 -1.410 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.794 -0.842 8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.836 -0.167 9.431 1.00 0.00 H new ATOM 126 N ILE A 9 -10.649 1.764 7.571 1.00 0.00 N ATOM 127 CA ILE A 9 -10.483 0.389 7.121 1.00 0.00 C ATOM 128 C ILE A 9 -9.018 -0.019 7.164 1.00 0.00 C ATOM 129 O ILE A 9 -8.685 -1.100 7.636 1.00 0.00 O ATOM 130 CB ILE A 9 -11.017 0.195 5.690 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.518 -0.098 5.716 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.265 -0.931 5.000 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.137 -0.205 4.339 1.00 0.00 C ATOM 0 H ILE A 9 -11.037 2.394 6.869 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.058 -0.241 7.799 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.858 1.115 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.689 -1.029 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.024 0.690 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.651 -1.060 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.204 -0.686 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.400 -1.856 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.203 -0.414 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.998 0.734 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.657 -1.013 3.786 1.00 0.00 H new ATOM 145 N PHE A 10 -8.151 0.860 6.669 1.00 0.00 N ATOM 146 CA PHE A 10 -6.713 0.607 6.652 1.00 0.00 C ATOM 147 C PHE A 10 -6.153 0.531 8.066 1.00 0.00 C ATOM 148 O PHE A 10 -5.248 -0.257 8.351 1.00 0.00 O ATOM 149 CB PHE A 10 -5.992 1.706 5.870 1.00 0.00 C ATOM 150 CG PHE A 10 -4.583 1.945 6.334 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.512 1.720 5.486 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.331 2.396 7.622 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.213 1.948 5.916 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.036 2.616 8.053 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.977 2.387 7.197 1.00 0.00 C ATOM 0 H PHE A 10 -8.422 1.760 6.272 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.547 -0.353 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.978 1.440 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.557 2.634 5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.689 1.364 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.156 2.577 8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.385 1.780 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.853 2.967 9.058 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.964 2.553 7.534 1.00 0.00 H new ATOM 165 N VAL A 11 -6.692 1.374 8.943 1.00 0.00 N ATOM 166 CA VAL A 11 -6.220 1.423 10.323 1.00 0.00 C ATOM 167 C VAL A 11 -6.208 0.043 10.972 1.00 0.00 C ATOM 168 O VAL A 11 -5.208 -0.350 11.574 1.00 0.00 O ATOM 169 CB VAL A 11 -7.101 2.363 11.171 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.754 2.232 12.646 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.948 3.803 10.704 1.00 0.00 C ATOM 0 H VAL A 11 -7.447 2.025 8.726 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.199 1.802 10.289 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.143 2.072 11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.385 2.902 13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.920 1.204 12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.707 2.495 12.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.577 4.452 11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.907 4.109 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.251 3.881 9.660 1.00 0.00 H new ATOM 181 N GLN A 12 -7.260 -0.762 10.772 1.00 0.00 N ATOM 182 CA GLN A 12 -7.286 -2.114 11.387 1.00 0.00 C ATOM 183 C GLN A 12 -6.713 -3.110 10.430 1.00 0.00 C ATOM 184 O GLN A 12 -5.712 -3.780 10.690 1.00 0.00 O ATOM 185 CB GLN A 12 -8.703 -2.503 11.708 1.00 0.00 C ATOM 186 CG GLN A 12 -9.746 -1.352 11.590 1.00 0.00 C ATOM 187 CD GLN A 12 -10.791 -1.355 12.771 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.575 -1.892 13.770 1.00 0.00 O ATOM 189 NE2 GLN A 12 -11.917 -0.705 12.423 1.00 0.00 N ATOM 0 H GLN A 12 -8.079 -0.523 10.213 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.696 -2.098 12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.001 -3.313 11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.734 -2.898 12.723 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.225 -0.395 11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.275 -1.443 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.990 -0.267 11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.697 -0.651 13.077 1.00 0.00 H new ATOM 198 N LYS A 13 -7.172 -2.896 9.238 1.00 0.00 N ATOM 199 CA LYS A 13 -6.602 -3.408 7.962 1.00 0.00 C ATOM 200 C LYS A 13 -5.239 -4.100 8.180 1.00 0.00 C ATOM 201 O LYS A 13 -5.066 -5.171 7.834 1.00 0.00 O ATOM 202 CB LYS A 13 -6.424 -2.275 6.982 1.00 0.00 C ATOM 203 CG LYS A 13 -7.095 -2.558 5.680 1.00 0.00 C ATOM 204 CD LYS A 13 -7.224 -4.038 5.495 1.00 0.00 C ATOM 205 CE LYS A 13 -7.635 -4.356 4.052 1.00 0.00 C ATOM 206 NZ LYS A 13 -7.865 -3.103 3.255 1.00 0.00 N ATOM 0 H LYS A 13 -8.005 -2.328 9.084 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.303 -4.142 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.831 -1.358 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.361 -2.104 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.080 -2.091 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.519 -2.127 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.277 -4.525 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.965 -4.436 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.859 -4.954 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.544 -4.958 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.239 -3.352 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.549 -2.497 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.966 -2.592 3.145 1.00 0.00 H new ATOM 220 N CYS A 14 -4.321 -3.380 8.806 1.00 0.00 N ATOM 221 CA CYS A 14 -2.977 -3.758 8.695 1.00 0.00 C ATOM 222 C CYS A 14 -1.947 -2.744 9.096 1.00 0.00 C ATOM 223 O CYS A 14 -0.830 -2.915 8.780 1.00 0.00 O ATOM 224 CB CYS A 14 -2.520 -4.622 7.445 1.00 0.00 C ATOM 225 SG CYS A 14 -3.105 -4.052 5.732 1.00 0.00 S ATOM 0 H CYS A 14 -4.504 -2.555 9.376 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.005 -4.491 9.501 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.430 -4.653 7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.866 -5.644 7.597 1.00 0.00 H new ATOM 230 N ALA A 15 -2.482 -1.545 9.461 1.00 0.00 N ATOM 231 CA ALA A 15 -1.631 -0.363 9.518 1.00 0.00 C ATOM 232 C ALA A 15 -0.393 -0.606 10.348 1.00 0.00 C ATOM 233 O ALA A 15 0.601 -0.053 10.127 1.00 0.00 O ATOM 234 CB ALA A 15 -2.415 0.810 10.016 1.00 0.00 C ATOM 0 H ALA A 15 -3.460 -1.392 9.707 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.286 -0.138 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.771 1.688 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.250 1.002 9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.797 0.595 11.014 1.00 0.00 H new ATOM 240 N GLN A 16 -0.536 -1.492 11.366 1.00 0.00 N ATOM 241 CA GLN A 16 0.479 -1.833 12.237 1.00 0.00 C ATOM 242 C GLN A 16 1.730 -2.256 11.443 1.00 0.00 C ATOM 243 O GLN A 16 2.835 -1.982 11.792 1.00 0.00 O ATOM 244 CB GLN A 16 0.099 -2.943 13.214 1.00 0.00 C ATOM 245 CG GLN A 16 -1.338 -3.034 13.387 1.00 0.00 C ATOM 246 CD GLN A 16 -1.713 -3.873 14.631 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.443 -4.842 14.532 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.187 -3.552 15.761 1.00 0.00 N ATOM 0 H GLN A 16 -1.414 -1.973 11.560 1.00 0.00 H new ATOM 0 HA GLN A 16 0.682 -0.944 12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.483 -3.896 12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.571 -2.757 14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.757 -2.032 13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.784 -3.481 12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.577 -2.737 15.827 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.380 -4.113 16.591 1.00 0.00 H new ATOM 257 N CYS A 17 1.477 -2.959 10.345 1.00 0.00 N ATOM 258 CA CYS A 17 2.542 -3.467 9.469 1.00 0.00 C ATOM 259 C CYS A 17 3.061 -2.305 8.612 1.00 0.00 C ATOM 260 O CYS A 17 4.207 -2.391 8.099 1.00 0.00 O ATOM 261 CB CYS A 17 2.041 -4.578 8.592 1.00 0.00 C ATOM 262 SG CYS A 17 1.912 -6.063 9.488 1.00 0.00 S ATOM 0 H CYS A 17 0.535 -3.195 10.033 1.00 0.00 H new ATOM 0 HA CYS A 17 3.348 -3.873 10.081 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.068 -4.311 8.180 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.718 -4.715 7.749 1.00 0.00 H new ATOM 267 N HIS A 18 2.266 -1.244 8.423 1.00 0.00 N ATOM 268 CA HIS A 18 2.662 -0.110 7.642 1.00 0.00 C ATOM 269 C HIS A 18 2.886 1.135 8.487 1.00 0.00 C ATOM 270 O HIS A 18 2.863 2.252 8.025 1.00 0.00 O ATOM 271 CB HIS A 18 1.629 0.175 6.580 1.00 0.00 C ATOM 272 CG HIS A 18 1.288 -1.024 5.697 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.387 -0.965 4.335 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.923 -2.257 6.030 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.061 -2.145 3.814 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.756 -2.947 4.852 1.00 0.00 N ATOM 0 H HIS A 18 1.329 -1.167 8.818 1.00 0.00 H new ATOM 0 HA HIS A 18 3.615 -0.363 7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.717 0.527 7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.989 0.986 5.948 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.668 -0.143 3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.785 -2.642 7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.044 -2.408 2.767 1.00 0.00 H new ATOM 284 N THR A 19 3.124 0.888 9.805 1.00 0.00 N ATOM 285 CA THR A 19 3.354 1.989 10.719 1.00 0.00 C ATOM 286 C THR A 19 2.258 3.044 10.585 1.00 0.00 C ATOM 287 O THR A 19 1.555 3.126 9.542 1.00 0.00 O ATOM 288 CB THR A 19 4.733 2.577 10.487 1.00 0.00 C ATOM 289 OG1 THR A 19 5.742 1.609 10.541 1.00 0.00 O ATOM 290 CG2 THR A 19 5.090 3.647 11.553 1.00 0.00 C ATOM 0 H THR A 19 3.157 -0.040 10.227 1.00 0.00 H new ATOM 0 HA THR A 19 3.316 1.615 11.742 1.00 0.00 H new ATOM 0 HB THR A 19 4.685 3.019 9.492 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.375 1.835 11.254 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.085 4.043 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.362 4.457 11.513 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.074 3.193 12.544 1.00 0.00 H new ATOM 298 N VAL A 20 2.068 3.830 11.594 1.00 0.00 N ATOM 299 CA VAL A 20 1.109 4.909 11.650 1.00 0.00 C ATOM 300 C VAL A 20 1.628 6.183 10.999 1.00 0.00 C ATOM 301 O VAL A 20 2.280 6.104 9.904 1.00 0.00 O ATOM 302 CB VAL A 20 0.780 5.205 13.088 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.610 5.874 13.061 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.692 3.939 13.931 1.00 0.00 C ATOM 0 H VAL A 20 2.605 3.739 12.457 1.00 0.00 H new ATOM 0 HA VAL A 20 0.225 4.586 11.100 1.00 0.00 H new ATOM 0 HB VAL A 20 1.557 5.829 13.529 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.916 6.119 14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.563 6.787 12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.334 5.190 12.619 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.453 4.204 14.961 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.088 3.290 13.532 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.648 3.416 13.904 1.00 0.00 H new ATOM 314 N GLU A 21 1.400 7.312 11.602 1.00 0.00 N ATOM 315 CA GLU A 21 1.804 8.606 11.079 1.00 0.00 C ATOM 316 C GLU A 21 3.287 8.715 11.156 1.00 0.00 C ATOM 317 O GLU A 21 3.918 8.235 12.102 1.00 0.00 O ATOM 318 CB GLU A 21 1.238 9.742 11.829 1.00 0.00 C ATOM 319 CG GLU A 21 0.151 9.248 12.769 1.00 0.00 C ATOM 320 CD GLU A 21 -0.494 10.430 13.516 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.662 10.264 14.004 1.00 0.00 O ATOM 322 OE2 GLU A 21 0.100 11.498 13.565 1.00 0.00 O ATOM 0 H GLU A 21 0.915 7.372 12.497 1.00 0.00 H new ATOM 0 HA GLU A 21 1.433 8.658 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.023 10.242 12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.827 10.477 11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.609 8.709 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.574 8.544 13.486 1.00 0.00 H new ATOM 329 N LYS A 22 3.906 9.412 10.184 1.00 0.00 N ATOM 330 CA LYS A 22 5.345 9.579 10.132 1.00 0.00 C ATOM 331 C LYS A 22 5.850 10.164 11.429 1.00 0.00 C ATOM 332 O LYS A 22 5.404 11.272 11.889 1.00 0.00 O ATOM 333 CB LYS A 22 5.725 10.505 8.975 1.00 0.00 C ATOM 334 CG LYS A 22 7.190 10.430 8.543 1.00 0.00 C ATOM 335 CD LYS A 22 8.119 10.559 9.763 1.00 0.00 C ATOM 336 CE LYS A 22 7.838 11.861 10.474 1.00 0.00 C ATOM 337 NZ LYS A 22 8.674 11.908 11.703 1.00 0.00 N ATOM 0 H LYS A 22 3.410 9.870 9.419 1.00 0.00 H new ATOM 0 HA LYS A 22 5.802 8.601 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.096 10.267 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.498 11.532 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.377 9.484 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.406 11.224 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.964 9.721 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.161 10.523 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.068 12.706 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.781 11.934 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.066 12.070 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.178 11.005 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.364 12.682 11.624 1.00 0.00 H new ATOM 351 N GLY A 23 6.757 9.463 12.077 1.00 0.00 N ATOM 352 CA GLY A 23 7.277 9.907 13.343 1.00 0.00 C ATOM 353 C GLY A 23 7.637 8.721 14.275 1.00 0.00 C ATOM 354 O GLY A 23 8.582 8.767 15.021 1.00 0.00 O ATOM 0 H GLY A 23 7.147 8.582 11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.164 10.518 13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.540 10.543 13.834 1.00 0.00 H new ATOM 358 N GLY A 24 6.830 7.654 14.156 1.00 0.00 N ATOM 359 CA GLY A 24 7.088 6.443 14.958 1.00 0.00 C ATOM 360 C GLY A 24 8.220 5.641 14.453 1.00 0.00 C ATOM 361 O GLY A 24 9.303 6.147 14.162 1.00 0.00 O ATOM 0 H GLY A 24 6.021 7.601 13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.289 6.734 15.989 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.190 5.825 14.970 1.00 0.00 H new ATOM 365 N LYS A 25 7.985 4.341 14.292 1.00 0.00 N ATOM 366 CA LYS A 25 9.045 3.430 13.802 1.00 0.00 C ATOM 367 C LYS A 25 8.715 2.944 12.394 1.00 0.00 C ATOM 368 O LYS A 25 7.550 2.928 12.013 1.00 0.00 O ATOM 369 CB LYS A 25 9.191 2.206 14.730 1.00 0.00 C ATOM 370 CG LYS A 25 8.433 2.388 16.019 1.00 0.00 C ATOM 371 CD LYS A 25 7.966 1.062 16.596 1.00 0.00 C ATOM 372 CE LYS A 25 7.079 0.367 15.568 1.00 0.00 C ATOM 373 NZ LYS A 25 7.556 -0.987 15.235 1.00 0.00 N ATOM 0 H LYS A 25 7.091 3.890 14.486 1.00 0.00 H new ATOM 0 HA LYS A 25 9.982 3.986 13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.827 1.316 14.217 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.246 2.040 14.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.068 2.896 16.745 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.571 3.032 15.845 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.822 0.434 16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.415 1.226 17.522 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.061 0.306 15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.040 0.969 14.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.920 -1.416 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.517 -0.930 14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.568 -1.572 16.095 1.00 0.00 H new ATOM 387 N HIS A 26 9.793 2.548 11.721 1.00 0.00 N ATOM 388 CA HIS A 26 9.604 2.060 10.360 1.00 0.00 C ATOM 389 C HIS A 26 8.746 0.801 10.352 1.00 0.00 C ATOM 390 O HIS A 26 8.843 -0.050 11.226 1.00 0.00 O ATOM 391 CB HIS A 26 10.924 1.780 9.694 1.00 0.00 C ATOM 392 CG HIS A 26 12.133 2.073 10.548 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.348 1.387 11.758 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.128 2.936 10.422 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.429 1.852 12.306 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.970 2.794 11.521 1.00 0.00 N ATOM 0 H HIS A 26 10.752 2.553 12.070 1.00 0.00 H new ATOM 0 HA HIS A 26 9.092 2.842 9.800 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.951 0.732 9.397 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.988 2.372 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.263 3.631 9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.833 1.528 13.254 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.833 3.308 11.696 1.00 0.00 H new ATOM 405 N LYS A 27 7.821 0.696 9.264 1.00 0.00 N ATOM 406 CA LYS A 27 6.934 -0.468 9.167 1.00 0.00 C ATOM 407 C LYS A 27 7.580 -1.602 8.352 1.00 0.00 C ATOM 408 O LYS A 27 8.677 -1.416 7.855 1.00 0.00 O ATOM 409 CB LYS A 27 5.638 -0.065 8.464 1.00 0.00 C ATOM 410 CG LYS A 27 5.710 -0.198 6.938 1.00 0.00 C ATOM 411 CD LYS A 27 5.195 1.099 6.249 1.00 0.00 C ATOM 412 CE LYS A 27 5.635 2.340 7.013 1.00 0.00 C ATOM 413 NZ LYS A 27 6.223 3.363 6.061 1.00 0.00 N ATOM 0 H LYS A 27 7.717 1.385 8.519 1.00 0.00 H new ATOM 0 HA LYS A 27 6.740 -0.819 10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.822 -0.684 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.399 0.967 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.738 -0.394 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.113 -1.050 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.572 1.145 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.107 1.074 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.784 2.771 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.374 2.068 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.135 3.699 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.369 2.926 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.570 4.167 5.968 1.00 0.00 H new ATOM 427 N THR A 28 6.956 -2.735 8.313 1.00 0.00 N ATOM 428 CA THR A 28 7.493 -3.889 7.603 1.00 0.00 C ATOM 429 C THR A 28 7.515 -3.647 6.098 1.00 0.00 C ATOM 430 O THR A 28 8.420 -4.044 5.429 1.00 0.00 O ATOM 431 CB THR A 28 6.607 -5.153 7.910 1.00 0.00 C ATOM 432 OG1 THR A 28 6.036 -5.050 9.257 1.00 0.00 O ATOM 433 CG2 THR A 28 7.493 -6.369 7.926 1.00 0.00 C ATOM 0 H THR A 28 6.058 -2.904 8.767 1.00 0.00 H new ATOM 0 HA THR A 28 8.515 -4.053 7.943 1.00 0.00 H new ATOM 0 HB THR A 28 5.823 -5.220 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.485 -5.839 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.893 -7.254 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.975 -6.481 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.255 -6.254 8.697 1.00 0.00 H new ATOM 441 N GLY A 29 6.455 -3.007 5.627 1.00 0.00 N ATOM 442 CA GLY A 29 6.358 -2.747 4.195 1.00 0.00 C ATOM 443 C GLY A 29 5.867 -1.298 3.933 1.00 0.00 C ATOM 444 O GLY A 29 5.131 -0.750 4.676 1.00 0.00 O ATOM 0 H GLY A 29 5.675 -2.668 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.331 -2.897 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.670 -3.458 3.737 1.00 0.00 H new ATOM 448 N PRO A 30 6.341 -0.692 2.792 1.00 0.00 N ATOM 449 CA PRO A 30 5.954 0.659 2.448 1.00 0.00 C ATOM 450 C PRO A 30 4.468 0.923 2.665 1.00 0.00 C ATOM 451 O PRO A 30 3.615 0.233 2.106 1.00 0.00 O ATOM 452 CB PRO A 30 6.282 0.622 1.027 1.00 0.00 C ATOM 453 CG PRO A 30 7.440 -0.286 0.892 1.00 0.00 C ATOM 454 CD PRO A 30 7.216 -1.307 1.827 1.00 0.00 C ATOM 0 HA PRO A 30 6.433 1.440 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.436 0.262 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.524 1.619 0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.511 -0.686 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.375 0.236 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.754 -2.180 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.146 -1.643 2.285 1.00 0.00 H new ATOM 462 N ASN A 31 4.161 1.897 3.472 1.00 0.00 N ATOM 463 CA ASN A 31 2.779 2.254 3.769 1.00 0.00 C ATOM 464 C ASN A 31 1.997 2.534 2.501 1.00 0.00 C ATOM 465 O ASN A 31 1.010 1.819 2.205 1.00 0.00 O ATOM 466 CB ASN A 31 2.735 3.521 4.677 1.00 0.00 C ATOM 467 CG ASN A 31 1.544 3.513 5.614 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.756 2.533 5.627 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.373 4.609 6.334 1.00 0.00 N ATOM 0 H ASN A 31 4.853 2.475 3.950 1.00 0.00 H new ATOM 0 HA ASN A 31 2.325 1.408 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.654 3.580 5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.697 4.413 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.562 4.695 6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.052 5.368 6.276 1.00 0.00 H new ATOM 476 N LEU A 32 2.420 3.483 1.820 1.00 0.00 N ATOM 477 CA LEU A 32 1.754 3.827 0.669 1.00 0.00 C ATOM 478 C LEU A 32 2.514 4.920 -0.173 1.00 0.00 C ATOM 479 O LEU A 32 2.466 4.999 -1.399 1.00 0.00 O ATOM 480 CB LEU A 32 0.320 4.283 0.740 1.00 0.00 C ATOM 481 CG LEU A 32 -0.215 5.459 1.577 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.365 5.404 2.981 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.180 6.744 0.889 1.00 0.00 C ATOM 0 H LEU A 32 3.240 4.048 2.041 1.00 0.00 H new ATOM 0 HA LEU A 32 1.734 2.841 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.028 4.497 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.251 3.411 1.059 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.300 5.403 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.019 6.240 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.078 4.466 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.452 5.467 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.189 7.593 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.266 6.799 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.252 6.769 -0.111 1.00 0.00 H new ATOM 495 N HIS A 33 3.218 5.761 0.580 1.00 0.00 N ATOM 496 CA HIS A 33 3.989 6.849 -0.011 1.00 0.00 C ATOM 497 C HIS A 33 4.853 6.338 -1.159 1.00 0.00 C ATOM 498 O HIS A 33 5.651 5.393 -0.999 1.00 0.00 O ATOM 499 CB HIS A 33 4.865 7.484 1.038 1.00 0.00 C ATOM 500 CG HIS A 33 4.711 8.975 1.166 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.686 9.824 1.644 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.694 9.788 0.749 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.273 11.087 1.539 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.073 11.121 1.012 1.00 0.00 N ATOM 0 H HIS A 33 3.270 5.710 1.597 1.00 0.00 H new ATOM 0 HA HIS A 33 3.293 7.591 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.645 7.025 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.906 7.258 0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.766 9.467 0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.842 11.953 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.517 11.956 0.827 1.00 0.00 H new ATOM 513 N GLY A 34 4.688 6.923 -2.305 1.00 0.00 N ATOM 514 CA GLY A 34 5.421 6.534 -3.492 1.00 0.00 C ATOM 515 C GLY A 34 5.019 5.163 -3.998 1.00 0.00 C ATOM 516 O GLY A 34 5.709 4.511 -4.780 1.00 0.00 O ATOM 0 H GLY A 34 4.036 7.693 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.253 7.271 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.489 6.539 -3.274 1.00 0.00 H new ATOM 520 N LEU A 35 3.839 4.729 -3.614 1.00 0.00 N ATOM 521 CA LEU A 35 3.313 3.442 -4.054 1.00 0.00 C ATOM 522 C LEU A 35 3.082 3.419 -5.553 1.00 0.00 C ATOM 523 O LEU A 35 3.535 2.476 -6.235 1.00 0.00 O ATOM 524 CB LEU A 35 1.970 3.144 -3.345 1.00 0.00 C ATOM 525 CG LEU A 35 1.402 1.761 -3.630 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.395 0.684 -3.230 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.204 1.533 -2.823 1.00 0.00 C ATOM 0 H LEU A 35 3.217 5.247 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 35 4.053 2.684 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.109 3.252 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.239 3.893 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 35 1.181 1.715 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.971 -0.298 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.317 0.811 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.610 0.765 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.194 0.541 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.459 1.604 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.547 2.285 -3.066 1.00 0.00 H new ATOM 539 N PHE A 36 2.520 4.436 -6.120 1.00 0.00 N ATOM 540 CA PHE A 36 2.296 4.534 -7.557 1.00 0.00 C ATOM 541 C PHE A 36 3.156 5.630 -8.166 1.00 0.00 C ATOM 542 O PHE A 36 2.952 6.047 -9.236 1.00 0.00 O ATOM 543 CB PHE A 36 0.921 4.809 -7.845 1.00 0.00 C ATOM 544 CG PHE A 36 0.014 4.290 -6.753 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.604 3.080 -6.894 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.273 5.048 -5.638 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.466 2.608 -5.922 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.125 4.621 -4.677 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.753 3.373 -4.786 1.00 0.00 C ATOM 0 H PHE A 36 2.190 5.249 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 36 2.570 3.573 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.779 5.884 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.648 4.350 -8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.417 2.485 -7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.197 6.014 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.924 1.637 -6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.322 5.247 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.431 3.016 -4.024 1.00 0.00 H new ATOM 559 N GLY A 37 4.174 6.060 -7.412 1.00 0.00 N ATOM 560 CA GLY A 37 5.082 7.136 -7.872 1.00 0.00 C ATOM 561 C GLY A 37 6.527 6.661 -7.841 1.00 0.00 C ATOM 562 O GLY A 37 7.279 6.987 -8.705 1.00 0.00 O ATOM 0 H GLY A 37 4.395 5.689 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.814 7.439 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.967 8.014 -7.236 1.00 0.00 H new ATOM 566 N ARG A 38 6.893 5.963 -6.740 1.00 0.00 N ATOM 567 CA ARG A 38 8.262 5.490 -6.580 1.00 0.00 C ATOM 568 C ARG A 38 8.450 4.162 -7.247 1.00 0.00 C ATOM 569 O ARG A 38 7.468 3.492 -7.648 1.00 0.00 O ATOM 570 CB ARG A 38 8.561 5.434 -5.114 1.00 0.00 C ATOM 571 CG ARG A 38 8.701 6.781 -4.437 1.00 0.00 C ATOM 572 CD ARG A 38 9.408 6.693 -3.094 1.00 0.00 C ATOM 573 NE ARG A 38 10.521 7.617 -2.972 1.00 0.00 N ATOM 574 CZ ARG A 38 10.391 8.919 -3.251 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.257 9.407 -3.678 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.450 9.707 -3.141 1.00 0.00 N ATOM 0 H ARG A 38 6.265 5.726 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 38 8.961 6.172 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.767 4.876 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.484 4.873 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.254 7.456 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.712 7.216 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.690 6.893 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.771 5.676 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 38 11.427 7.264 -2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.452 8.793 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.176 10.402 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.346 9.319 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.369 10.702 -3.350 1.00 0.00 H new ATOM 590 N LYS A 39 9.693 3.696 -7.382 1.00 0.00 N ATOM 591 CA LYS A 39 9.983 2.395 -7.976 1.00 0.00 C ATOM 592 C LYS A 39 9.194 1.286 -7.324 1.00 0.00 C ATOM 593 O LYS A 39 8.048 1.061 -7.639 1.00 0.00 O ATOM 594 CB LYS A 39 11.426 2.113 -7.944 1.00 0.00 C ATOM 595 CG LYS A 39 11.821 0.857 -8.666 1.00 0.00 C ATOM 596 CD LYS A 39 10.760 0.449 -9.518 1.00 0.00 C ATOM 597 CE LYS A 39 10.475 1.441 -10.641 1.00 0.00 C ATOM 598 NZ LYS A 39 9.144 1.169 -11.219 1.00 0.00 N ATOM 0 H LYS A 39 10.522 4.209 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 39 9.668 2.437 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.960 2.955 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.748 2.039 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.725 1.029 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.050 0.069 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.004 -0.521 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.857 0.314 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.514 2.461 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.241 1.361 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.636 2.066 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.255 0.688 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.602 0.562 -10.572 1.00 0.00 H new ATOM 612 N THR A 40 9.845 0.413 -6.583 1.00 0.00 N ATOM 613 CA THR A 40 9.117 -0.500 -5.645 1.00 0.00 C ATOM 614 C THR A 40 9.820 -0.622 -4.246 1.00 0.00 C ATOM 615 O THR A 40 10.768 -1.218 -3.996 1.00 0.00 O ATOM 616 CB THR A 40 8.939 -1.910 -6.024 1.00 0.00 C ATOM 617 OG1 THR A 40 10.142 -2.610 -6.242 1.00 0.00 O ATOM 618 CG2 THR A 40 7.855 -2.260 -6.875 1.00 0.00 C ATOM 0 H THR A 40 10.858 0.296 -6.591 1.00 0.00 H new ATOM 0 HA THR A 40 8.152 0.007 -5.653 1.00 0.00 H new ATOM 0 HB THR A 40 8.540 -2.315 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.788 -2.376 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.867 -3.335 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.914 -1.983 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.951 -1.731 -7.823 1.00 0.00 H new ATOM 626 N GLY A 41 8.991 -0.077 -3.303 1.00 0.00 N ATOM 627 CA GLY A 41 9.395 -0.186 -1.913 1.00 0.00 C ATOM 628 C GLY A 41 10.763 0.349 -1.645 1.00 0.00 C ATOM 629 O GLY A 41 11.483 -0.205 -0.782 1.00 0.00 O ATOM 0 H GLY A 41 8.109 0.403 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.677 0.348 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.358 -1.233 -1.614 1.00 0.00 H new ATOM 633 N GLN A 42 11.118 1.413 -2.352 1.00 0.00 N ATOM 634 CA GLN A 42 12.469 2.003 -2.175 1.00 0.00 C ATOM 635 C GLN A 42 12.394 3.242 -1.281 1.00 0.00 C ATOM 636 O GLN A 42 13.017 4.301 -1.608 1.00 0.00 O ATOM 637 CB GLN A 42 13.025 2.342 -3.508 1.00 0.00 C ATOM 638 CG GLN A 42 12.046 2.416 -4.666 1.00 0.00 C ATOM 639 CD GLN A 42 10.900 3.379 -4.349 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.101 4.504 -3.980 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.679 2.887 -4.518 1.00 0.00 N ATOM 0 H GLN A 42 10.524 1.884 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 42 13.126 1.282 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.530 3.305 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.786 1.602 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.565 2.745 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.646 1.424 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.556 1.925 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.864 3.471 -4.333 1.00 0.00 H new ATOM 650 N ALA A 43 11.645 3.192 -0.185 1.00 0.00 N ATOM 651 CA ALA A 43 11.495 4.328 0.709 1.00 0.00 C ATOM 652 C ALA A 43 12.847 4.822 1.161 1.00 0.00 C ATOM 653 O ALA A 43 13.865 4.300 0.825 1.00 0.00 O ATOM 654 CB ALA A 43 10.641 3.901 1.893 1.00 0.00 C ATOM 0 H ALA A 43 11.127 2.363 0.106 1.00 0.00 H new ATOM 0 HA ALA A 43 11.004 5.152 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.518 4.742 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.663 3.576 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.129 3.078 2.416 1.00 0.00 H new ATOM 660 N PRO A 44 12.853 5.931 1.967 1.00 0.00 N ATOM 661 CA PRO A 44 14.049 6.531 2.509 1.00 0.00 C ATOM 662 C PRO A 44 14.645 5.774 3.711 1.00 0.00 C ATOM 663 O PRO A 44 15.254 4.716 3.562 1.00 0.00 O ATOM 664 CB PRO A 44 13.620 7.936 2.887 1.00 0.00 C ATOM 665 CG PRO A 44 12.168 7.761 3.290 1.00 0.00 C ATOM 666 CD PRO A 44 11.648 6.653 2.421 1.00 0.00 C ATOM 0 HA PRO A 44 14.858 6.510 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.220 8.333 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.725 8.627 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.081 7.507 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.603 8.680 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.979 5.996 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.081 7.046 1.577 1.00 0.00 H new ATOM 674 N GLY A 45 14.476 6.379 4.839 1.00 0.00 N ATOM 675 CA GLY A 45 15.004 5.745 6.050 1.00 0.00 C ATOM 676 C GLY A 45 14.248 4.493 6.376 1.00 0.00 C ATOM 677 O GLY A 45 14.447 3.901 7.425 1.00 0.00 O ATOM 0 H GLY A 45 14.002 7.272 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.059 5.511 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.939 6.441 6.886 1.00 0.00 H new ATOM 681 N PHE A 46 13.264 4.065 5.449 1.00 0.00 N ATOM 682 CA PHE A 46 12.493 2.858 5.664 1.00 0.00 C ATOM 683 C PHE A 46 13.248 1.644 5.272 1.00 0.00 C ATOM 684 O PHE A 46 13.912 1.597 4.227 1.00 0.00 O ATOM 685 CB PHE A 46 11.196 2.960 4.881 1.00 0.00 C ATOM 686 CG PHE A 46 10.282 1.750 5.025 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.574 1.571 6.215 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.223 0.806 4.050 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.769 0.506 6.376 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.368 -0.369 4.216 1.00 0.00 C ATOM 691 CZ PHE A 46 8.680 -0.477 5.371 1.00 0.00 C ATOM 0 H PHE A 46 13.036 4.564 4.589 1.00 0.00 H new ATOM 0 HA PHE A 46 12.278 2.764 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.657 3.849 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.432 3.099 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.674 2.293 7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.809 0.923 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.188 0.404 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.291 -1.120 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.046 -1.337 5.529 1.00 0.00 H new ATOM 701 N THR A 47 13.188 0.593 6.116 1.00 0.00 N ATOM 702 CA THR A 47 13.924 -0.636 5.859 1.00 0.00 C ATOM 703 C THR A 47 13.125 -1.522 4.869 1.00 0.00 C ATOM 704 O THR A 47 12.120 -2.164 5.243 1.00 0.00 O ATOM 705 CB THR A 47 14.102 -1.407 7.118 1.00 0.00 C ATOM 706 OG1 THR A 47 15.510 -1.829 7.251 1.00 0.00 O ATOM 707 CG2 THR A 47 13.212 -2.689 7.266 1.00 0.00 C ATOM 0 H THR A 47 12.637 0.582 6.974 1.00 0.00 H new ATOM 0 HA THR A 47 14.896 -0.371 5.444 1.00 0.00 H new ATOM 0 HB THR A 47 13.787 -0.716 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.623 -2.335 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.425 -3.171 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.160 -2.408 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.432 -3.381 6.453 1.00 0.00 H new ATOM 715 N TYR A 48 13.554 -1.481 3.623 1.00 0.00 N ATOM 716 CA TYR A 48 12.905 -2.249 2.578 1.00 0.00 C ATOM 717 C TYR A 48 13.173 -3.735 2.702 1.00 0.00 C ATOM 718 O TYR A 48 14.164 -4.144 3.305 1.00 0.00 O ATOM 719 CB TYR A 48 13.319 -1.800 1.286 1.00 0.00 C ATOM 720 CG TYR A 48 14.368 -0.713 1.332 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.659 -0.983 1.770 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.070 0.585 0.934 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.622 0.008 1.811 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.028 1.581 0.973 1.00 0.00 C ATOM 725 CZ TYR A 48 16.300 1.287 1.412 1.00 0.00 C ATOM 726 OH TYR A 48 17.257 2.276 1.452 1.00 0.00 O ATOM 0 H TYR A 48 14.349 -0.924 3.309 1.00 0.00 H new ATOM 0 HA TYR A 48 11.834 -2.088 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.710 -2.648 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.449 -1.431 0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.914 -1.984 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.074 0.819 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.621 -0.219 2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.780 2.585 0.661 1.00 0.00 H new ATOM 0 HH TYR A 48 16.869 3.119 1.137 1.00 0.00 H new ATOM 736 N THR A 49 12.357 -4.513 2.143 1.00 0.00 N ATOM 737 CA THR A 49 12.505 -5.972 2.178 1.00 0.00 C ATOM 738 C THR A 49 13.515 -6.372 1.089 1.00 0.00 C ATOM 739 O THR A 49 13.934 -5.561 0.308 1.00 0.00 O ATOM 740 CB THR A 49 11.161 -6.652 1.919 1.00 0.00 C ATOM 741 OG1 THR A 49 10.750 -6.456 0.578 1.00 0.00 O ATOM 742 CG2 THR A 49 10.056 -6.138 2.789 1.00 0.00 C ATOM 0 H THR A 49 11.537 -4.192 1.627 1.00 0.00 H new ATOM 0 HA THR A 49 12.858 -6.288 3.160 1.00 0.00 H new ATOM 0 HB THR A 49 11.330 -7.705 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.889 -6.900 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.131 -6.664 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.310 -6.304 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.921 -5.071 2.613 1.00 0.00 H new ATOM 750 N ASP A 50 13.899 -7.651 1.113 1.00 0.00 N ATOM 751 CA ASP A 50 14.861 -8.128 0.131 1.00 0.00 C ATOM 752 C ASP A 50 14.391 -7.752 -1.225 1.00 0.00 C ATOM 753 O ASP A 50 15.156 -7.463 -2.156 1.00 0.00 O ATOM 754 CB ASP A 50 15.041 -9.614 0.281 1.00 0.00 C ATOM 755 CG ASP A 50 15.478 -10.289 -1.032 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.651 -10.705 -1.145 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.602 -10.362 -1.934 1.00 0.00 O ATOM 0 H ASP A 50 13.569 -8.350 1.779 1.00 0.00 H new ATOM 0 HA ASP A 50 15.836 -7.666 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.785 -9.811 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.105 -10.058 0.620 1.00 0.00 H new ATOM 762 N ALA A 51 13.047 -7.827 -1.405 1.00 0.00 N ATOM 763 CA ALA A 51 12.435 -7.500 -2.732 1.00 0.00 C ATOM 764 C ALA A 51 12.557 -6.040 -3.048 1.00 0.00 C ATOM 765 O ALA A 51 12.888 -5.606 -4.143 1.00 0.00 O ATOM 766 CB ALA A 51 10.979 -8.005 -2.767 1.00 0.00 C ATOM 0 H ALA A 51 12.382 -8.100 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 51 12.983 -8.017 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.534 -7.767 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.965 -9.085 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.407 -7.521 -1.975 1.00 0.00 H new ATOM 772 N ASN A 52 12.204 -5.227 -2.031 1.00 0.00 N ATOM 773 CA ASN A 52 12.188 -3.754 -2.227 1.00 0.00 C ATOM 774 C ASN A 52 13.637 -3.266 -2.532 1.00 0.00 C ATOM 775 O ASN A 52 13.865 -2.491 -3.414 1.00 0.00 O ATOM 776 CB ASN A 52 11.742 -3.071 -0.958 1.00 0.00 C ATOM 777 CG ASN A 52 10.282 -3.413 -0.612 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.591 -3.935 -1.655 1.00 0.00 O flip ATOM 779 ND2 ASN A 52 9.794 -3.161 0.430 1.00 0.00 N flip ATOM 0 H ASN A 52 11.935 -5.544 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 52 11.509 -3.517 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.391 -3.371 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.847 -1.992 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.365 -2.769 1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.801 -3.335 0.583 1.00 0.00 H new ATOM 786 N LYS A 53 14.639 -3.806 -1.803 1.00 0.00 N ATOM 787 CA LYS A 53 16.030 -3.479 -2.033 1.00 0.00 C ATOM 788 C LYS A 53 16.438 -3.827 -3.432 1.00 0.00 C ATOM 789 O LYS A 53 17.293 -3.117 -4.037 1.00 0.00 O ATOM 790 CB LYS A 53 16.926 -4.234 -1.014 1.00 0.00 C ATOM 791 CG LYS A 53 16.633 -5.681 -0.931 1.00 0.00 C ATOM 792 CD LYS A 53 17.682 -6.450 -0.101 1.00 0.00 C ATOM 793 CE LYS A 53 17.343 -6.425 1.297 1.00 0.00 C ATOM 794 NZ LYS A 53 17.155 -7.782 1.823 1.00 0.00 N ATOM 0 H LYS A 53 14.489 -4.475 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 53 16.157 -2.405 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.971 -4.098 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.797 -3.788 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.648 -5.824 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.593 -6.099 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.742 -7.482 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.667 -6.007 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.132 -5.922 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.431 -5.846 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.187 -7.881 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.310 -8.474 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.835 -7.954 2.591 1.00 0.00 H new ATOM 808 N ASN A 54 15.821 -4.868 -3.985 1.00 0.00 N ATOM 809 CA ASN A 54 16.116 -5.253 -5.362 1.00 0.00 C ATOM 810 C ASN A 54 15.451 -4.335 -6.371 1.00 0.00 C ATOM 811 O ASN A 54 15.788 -4.279 -7.537 1.00 0.00 O ATOM 812 CB ASN A 54 15.625 -6.684 -5.590 1.00 0.00 C ATOM 813 CG ASN A 54 16.230 -7.695 -4.650 1.00 0.00 C ATOM 814 OD1 ASN A 54 17.082 -7.194 -3.738 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 15.988 -8.900 -4.733 1.00 0.00 N flip ATOM 0 H ASN A 54 15.128 -5.449 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 54 17.194 -5.178 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.540 -6.707 -5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.850 -6.976 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.335 -9.242 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.440 -9.556 -4.096 1.00 0.00 H new ATOM 822 N LYS A 55 14.489 -3.558 -5.881 1.00 0.00 N ATOM 823 CA LYS A 55 13.744 -2.599 -6.721 1.00 0.00 C ATOM 824 C LYS A 55 12.809 -3.292 -7.639 1.00 0.00 C ATOM 825 O LYS A 55 12.939 -3.254 -8.873 1.00 0.00 O ATOM 826 CB LYS A 55 14.732 -1.764 -7.537 1.00 0.00 C ATOM 827 CG LYS A 55 15.479 -0.764 -6.707 1.00 0.00 C ATOM 828 CD LYS A 55 16.956 -0.709 -7.099 1.00 0.00 C ATOM 829 CE LYS A 55 17.572 -2.048 -7.163 1.00 0.00 C ATOM 830 NZ LYS A 55 19.041 -2.030 -6.919 1.00 0.00 N ATOM 0 H LYS A 55 14.199 -3.567 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 55 13.159 -1.956 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.445 -2.429 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.192 -1.242 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.031 0.222 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.390 -1.025 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.054 -0.221 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.498 -0.097 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.096 -2.696 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.378 -2.484 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.414 -2.999 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.505 -1.436 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.231 -1.642 -5.973 1.00 0.00 H new ATOM 844 N GLY A 56 11.817 -4.007 -7.039 1.00 0.00 N ATOM 845 CA GLY A 56 10.869 -4.697 -7.887 1.00 0.00 C ATOM 846 C GLY A 56 10.180 -3.819 -8.926 1.00 0.00 C ATOM 847 O GLY A 56 10.829 -3.465 -9.927 1.00 0.00 O ATOM 0 H GLY A 56 11.675 -4.105 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.386 -5.506 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.107 -5.156 -7.257 1.00 0.00 H new ATOM 851 N ILE A 57 8.934 -3.428 -8.635 1.00 0.00 N ATOM 852 CA ILE A 57 8.219 -2.551 -9.549 1.00 0.00 C ATOM 853 C ILE A 57 7.143 -1.637 -8.937 1.00 0.00 C ATOM 854 O ILE A 57 6.742 -1.913 -7.726 1.00 0.00 O ATOM 855 CB ILE A 57 7.476 -3.338 -10.635 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.800 -2.758 -11.965 1.00 0.00 C ATOM 857 CG2 ILE A 57 5.949 -3.316 -10.325 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.098 -1.253 -11.893 1.00 0.00 C ATOM 0 H ILE A 57 8.418 -3.699 -7.798 1.00 0.00 H new ATOM 0 HA ILE A 57 9.036 -1.935 -9.924 1.00 0.00 H new ATOM 0 HB ILE A 57 7.791 -4.381 -10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.663 -3.276 -12.384 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.965 -2.928 -12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.414 -3.874 -11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.769 -3.774 -9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.595 -2.285 -10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.328 -0.880 -12.891 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.227 -0.728 -11.501 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.951 -1.082 -11.236 1.00 0.00 H new ATOM 870 N THR A 58 6.714 -0.653 -9.538 1.00 0.00 N ATOM 871 CA THR A 58 5.741 0.289 -8.942 1.00 0.00 C ATOM 872 C THR A 58 4.379 -0.269 -8.895 1.00 0.00 C ATOM 873 O THR A 58 3.755 -0.567 -9.945 1.00 0.00 O ATOM 874 CB THR A 58 5.759 1.576 -9.775 1.00 0.00 C ATOM 875 OG1 THR A 58 5.937 2.664 -9.005 1.00 0.00 O ATOM 876 CG2 THR A 58 4.442 1.869 -10.467 1.00 0.00 C ATOM 0 H THR A 58 6.994 -0.411 -10.489 1.00 0.00 H new ATOM 0 HA THR A 58 6.030 0.488 -7.910 1.00 0.00 H new ATOM 0 HB THR A 58 6.566 1.400 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.800 2.601 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.529 2.794 -11.037 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.195 1.049 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.655 1.975 -9.721 1.00 0.00 H new ATOM 884 N TRP A 59 3.888 -0.483 -7.694 1.00 0.00 N ATOM 885 CA TRP A 59 2.530 -1.048 -7.439 1.00 0.00 C ATOM 886 C TRP A 59 1.446 -0.093 -7.925 1.00 0.00 C ATOM 887 O TRP A 59 1.215 0.993 -7.338 1.00 0.00 O ATOM 888 CB TRP A 59 2.382 -1.318 -5.967 1.00 0.00 C ATOM 889 CG TRP A 59 3.680 -1.500 -5.254 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.488 -0.485 -4.757 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.304 -2.709 -4.874 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.606 -1.002 -4.181 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.528 -2.396 -4.251 1.00 0.00 C ATOM 894 CE3 TRP A 59 3.987 -4.086 -5.077 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.411 -3.365 -3.780 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.868 -5.027 -4.599 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.081 -4.676 -3.979 1.00 0.00 C ATOM 0 H TRP A 59 4.406 -0.276 -6.840 1.00 0.00 H new ATOM 0 HA TRP A 59 2.417 -1.981 -7.992 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.839 -0.491 -5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.775 -2.213 -5.831 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.260 0.569 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.369 -0.465 -3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.083 -4.379 -5.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.325 -3.090 -3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.620 -6.073 -4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.759 -5.452 -3.656 1.00 0.00 H new ATOM 908 N LYS A 60 0.857 -0.453 -9.072 1.00 0.00 N ATOM 909 CA LYS A 60 -0.212 0.334 -9.664 1.00 0.00 C ATOM 910 C LYS A 60 -1.573 -0.217 -9.303 1.00 0.00 C ATOM 911 O LYS A 60 -1.668 -1.310 -8.751 1.00 0.00 O ATOM 912 CB LYS A 60 -0.039 0.449 -11.170 1.00 0.00 C ATOM 913 CG LYS A 60 -1.269 0.013 -11.951 1.00 0.00 C ATOM 914 CD LYS A 60 -2.093 1.171 -12.379 1.00 0.00 C ATOM 915 CE LYS A 60 -2.593 1.050 -13.818 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.135 2.208 -14.616 1.00 0.00 N ATOM 0 H LYS A 60 1.109 -1.287 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.150 1.339 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.197 1.482 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.813 -0.157 -11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.959 -0.556 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.872 -0.654 -11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.948 1.268 -11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.506 2.084 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.226 0.125 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.682 0.999 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.481 2.115 -15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.506 3.085 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.095 2.239 -14.618 1.00 0.00 H new ATOM 930 N GLU A 61 -2.596 0.531 -9.582 1.00 0.00 N ATOM 931 CA GLU A 61 -3.959 0.058 -9.309 1.00 0.00 C ATOM 932 C GLU A 61 -4.308 -1.250 -10.090 1.00 0.00 C ATOM 933 O GLU A 61 -4.679 -2.250 -9.473 1.00 0.00 O ATOM 934 CB GLU A 61 -4.998 1.131 -9.745 1.00 0.00 C ATOM 935 CG GLU A 61 -6.017 1.458 -8.650 1.00 0.00 C ATOM 936 CD GLU A 61 -7.407 1.154 -9.091 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.344 1.938 -8.738 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.620 0.140 -9.793 1.00 0.00 O ATOM 0 H GLU A 61 -2.537 1.462 -9.993 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.000 -0.136 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.473 2.043 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.526 0.778 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.785 0.885 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.941 2.512 -8.383 1.00 0.00 H new ATOM 945 N GLU A 62 -4.159 -1.200 -11.398 1.00 0.00 N ATOM 946 CA GLU A 62 -4.438 -2.371 -12.157 1.00 0.00 C ATOM 947 C GLU A 62 -3.468 -3.545 -11.861 1.00 0.00 C ATOM 948 O GLU A 62 -3.898 -4.723 -11.770 1.00 0.00 O ATOM 949 CB GLU A 62 -4.284 -2.021 -13.706 1.00 0.00 C ATOM 950 CG GLU A 62 -2.892 -2.212 -14.269 1.00 0.00 C ATOM 951 CD GLU A 62 -2.769 -1.742 -15.706 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.824 -1.591 -16.335 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.626 -1.492 -16.123 1.00 0.00 O ATOM 0 H GLU A 62 -3.856 -0.385 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.446 -2.685 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.978 -2.641 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.583 -0.984 -13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.177 -1.668 -13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.624 -3.267 -14.212 1.00 0.00 H new ATOM 960 N THR A 63 -2.178 -3.232 -11.697 1.00 0.00 N ATOM 961 CA THR A 63 -1.187 -4.243 -11.379 1.00 0.00 C ATOM 962 C THR A 63 -1.472 -4.873 -10.022 1.00 0.00 C ATOM 963 O THR A 63 -1.140 -6.033 -9.780 1.00 0.00 O ATOM 964 CB THR A 63 0.155 -3.617 -11.387 1.00 0.00 C ATOM 965 OG1 THR A 63 0.992 -4.284 -12.313 1.00 0.00 O ATOM 966 CG2 THR A 63 0.776 -3.654 -10.036 1.00 0.00 C ATOM 0 H THR A 63 -1.805 -2.286 -11.781 1.00 0.00 H new ATOM 0 HA THR A 63 -1.228 -5.035 -12.127 1.00 0.00 H new ATOM 0 HB THR A 63 0.038 -2.574 -11.681 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.878 -3.864 -12.315 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.760 -3.187 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.145 -3.113 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.878 -4.689 -9.711 1.00 0.00 H new ATOM 974 N LEU A 64 -2.095 -4.084 -9.104 1.00 0.00 N ATOM 975 CA LEU A 64 -2.443 -4.584 -7.784 1.00 0.00 C ATOM 976 C LEU A 64 -3.585 -5.574 -7.879 1.00 0.00 C ATOM 977 O LEU A 64 -3.629 -6.502 -7.092 1.00 0.00 O ATOM 978 CB LEU A 64 -2.832 -3.402 -6.889 1.00 0.00 C ATOM 979 CG LEU A 64 -1.768 -2.960 -5.855 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.279 -1.829 -5.020 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.358 -4.160 -5.011 1.00 0.00 C ATOM 0 H LEU A 64 -2.356 -3.112 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.585 -5.099 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.067 -2.550 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.745 -3.661 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.883 -2.590 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.515 -1.534 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.518 -0.982 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.176 -2.146 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.609 -3.853 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.231 -4.554 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.941 -4.933 -5.656 1.00 0.00 H new ATOM 993 N MET A 65 -4.499 -5.349 -8.816 1.00 0.00 N ATOM 994 CA MET A 65 -5.618 -6.254 -8.964 1.00 0.00 C ATOM 995 C MET A 65 -5.175 -7.649 -9.318 1.00 0.00 C ATOM 996 O MET A 65 -5.661 -8.606 -8.766 1.00 0.00 O ATOM 997 CB MET A 65 -6.517 -5.670 -10.078 1.00 0.00 C ATOM 998 CG MET A 65 -7.308 -4.455 -9.704 1.00 0.00 C ATOM 999 SD MET A 65 -8.198 -4.671 -8.111 1.00 0.00 S ATOM 1000 CE MET A 65 -6.921 -4.101 -6.963 1.00 0.00 C ATOM 0 H MET A 65 -4.485 -4.565 -9.468 1.00 0.00 H new ATOM 0 HA MET A 65 -6.156 -6.339 -8.020 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.889 -5.423 -10.934 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.210 -6.446 -10.404 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.640 -3.597 -9.632 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.027 -4.234 -10.493 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.335 -4.047 -5.956 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.084 -4.799 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.574 -3.113 -7.266 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.184 -7.746 -10.195 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.633 -9.038 -10.586 1.00 0.00 C ATOM 1012 C GLU A 66 -2.696 -9.565 -9.506 1.00 0.00 C ATOM 1013 O GLU A 66 -2.633 -10.783 -9.210 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.885 -8.920 -11.916 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.042 -7.673 -12.000 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.224 -7.618 -13.305 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.528 -8.568 -13.563 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.337 -6.596 -14.037 1.00 0.00 O ATOM 0 H GLU A 66 -3.745 -6.945 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.458 -9.740 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.248 -9.794 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.605 -8.923 -12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.685 -6.795 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.366 -7.634 -11.146 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.954 -8.652 -8.820 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.075 -9.002 -7.831 1.00 0.00 C ATOM 1027 C TYR A 67 -1.722 -9.651 -6.617 1.00 0.00 C ATOM 1028 O TYR A 67 -1.249 -10.358 -5.859 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.319 -7.706 -7.348 1.00 0.00 C ATOM 1030 CG TYR A 67 0.049 -7.759 -5.897 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.314 -8.261 -5.495 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.814 -7.330 -4.899 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.656 -8.298 -4.129 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.498 -7.362 -3.598 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.743 -7.806 -3.200 1.00 0.00 C ATOM 1036 OH TYR A 67 1.104 -7.834 -1.934 1.00 0.00 O ATOM 0 H TYR A 67 -2.000 -7.648 -8.994 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.405 -9.744 -8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.585 -7.574 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.949 -6.835 -7.527 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.015 -8.615 -6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.785 -6.953 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.606 -8.699 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.218 -7.039 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 67 0.385 -7.464 -1.381 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.064 -9.315 -6.526 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.822 -9.851 -5.437 1.00 0.00 C ATOM 1048 C LEU A 68 -3.921 -11.313 -5.476 1.00 0.00 C ATOM 1049 O LEU A 68 -4.299 -11.997 -4.584 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.259 -9.255 -5.475 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.351 -7.834 -4.930 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.752 -7.228 -5.218 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.084 -7.790 -3.559 1.00 0.00 C ATOM 0 H LEU A 68 -3.573 -8.712 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.301 -9.580 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.619 -9.263 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.924 -9.899 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.593 -7.240 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.798 -6.214 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.924 -7.205 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.518 -7.839 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.159 -6.761 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.807 -8.409 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.078 -8.165 -3.372 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.572 -11.924 -6.655 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.601 -13.369 -6.847 1.00 0.00 C ATOM 1067 C GLU A 69 -2.661 -14.067 -5.868 1.00 0.00 C ATOM 1068 O GLU A 69 -3.089 -14.576 -4.904 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.214 -13.720 -8.284 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.121 -14.758 -8.921 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.741 -15.060 -10.359 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.690 -14.562 -10.813 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.495 -15.797 -11.030 1.00 0.00 O ATOM 0 H GLU A 69 -3.267 -11.408 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.616 -13.716 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.233 -12.813 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.189 -14.089 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.081 -15.678 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.151 -14.404 -8.888 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.457 -14.023 -6.149 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.448 -14.629 -5.421 1.00 0.00 C ATOM 1082 C ASN A 70 0.577 -13.605 -4.896 1.00 0.00 C ATOM 1083 O ASN A 70 1.546 -13.330 -5.421 1.00 0.00 O ATOM 1084 CB ASN A 70 0.325 -15.717 -6.220 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.433 -17.059 -6.165 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.401 -17.745 -5.157 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.107 -17.383 -7.219 1.00 0.00 N ATOM 0 H ASN A 70 -1.108 -13.520 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.963 -15.109 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.445 -15.401 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.326 -15.839 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.646 -18.249 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.100 -16.773 -8.036 1.00 0.00 H new ATOM 1094 N PRO A 71 0.304 -13.025 -3.671 1.00 0.00 N ATOM 1095 CA PRO A 71 1.169 -12.047 -3.064 1.00 0.00 C ATOM 1096 C PRO A 71 2.626 -12.485 -2.991 1.00 0.00 C ATOM 1097 O PRO A 71 3.518 -11.656 -3.069 1.00 0.00 O ATOM 1098 CB PRO A 71 0.561 -11.894 -1.656 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.841 -12.289 -1.792 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.904 -13.307 -2.871 1.00 0.00 C ATOM 0 HA PRO A 71 1.210 -11.122 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.079 -12.526 -0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.647 -10.867 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.219 -12.697 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.462 -11.428 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.894 -14.320 -2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.813 -13.209 -3.465 1.00 0.00 H new ATOM 1108 N LYS A 72 2.824 -13.807 -2.853 1.00 0.00 N ATOM 1109 CA LYS A 72 4.165 -14.371 -2.778 1.00 0.00 C ATOM 1110 C LYS A 72 4.752 -14.483 -4.196 1.00 0.00 C ATOM 1111 O LYS A 72 6.005 -14.507 -4.305 1.00 0.00 O ATOM 1112 CB LYS A 72 4.106 -15.706 -2.080 1.00 0.00 C ATOM 1113 CG LYS A 72 4.555 -16.874 -2.989 1.00 0.00 C ATOM 1114 CD LYS A 72 6.091 -17.070 -2.921 1.00 0.00 C ATOM 1115 CE LYS A 72 6.737 -16.820 -4.285 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.560 -17.941 -4.708 1.00 0.00 N ATOM 0 H LYS A 72 2.072 -14.494 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 72 4.822 -13.722 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.740 -15.676 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.087 -15.888 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.053 -17.792 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.255 -16.675 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.516 -16.389 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.317 -18.083 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.960 -16.640 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.348 -15.918 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.980 -17.733 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.317 -18.097 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.972 -18.796 -4.778 1.00 0.00 H new ATOM 1130 N LYS A 73 3.923 -14.575 -5.181 1.00 0.00 N ATOM 1131 CA LYS A 73 4.343 -14.719 -6.506 1.00 0.00 C ATOM 1132 C LYS A 73 5.030 -13.419 -6.942 1.00 0.00 C ATOM 1133 O LYS A 73 5.931 -13.456 -7.817 1.00 0.00 O ATOM 1134 CB LYS A 73 3.168 -15.091 -7.396 1.00 0.00 C ATOM 1135 CG LYS A 73 2.402 -13.869 -7.930 1.00 0.00 C ATOM 1136 CD LYS A 73 2.927 -13.414 -9.289 1.00 0.00 C ATOM 1137 CE LYS A 73 3.169 -14.635 -10.210 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.032 -15.613 -10.152 1.00 0.00 N ATOM 0 H LYS A 73 2.910 -14.550 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 73 5.063 -15.532 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.531 -15.681 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.482 -15.725 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.343 -14.113 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.485 -13.049 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.212 -12.736 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.856 -12.858 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.303 -14.294 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.093 -15.134 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.862 -16.004 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.271 -16.384 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.174 -15.129 -9.819 1.00 0.00 H new ATOM 1152 N TYR A 74 4.573 -12.282 -6.431 1.00 0.00 N ATOM 1153 CA TYR A 74 5.080 -11.009 -6.799 1.00 0.00 C ATOM 1154 C TYR A 74 6.399 -10.717 -6.050 1.00 0.00 C ATOM 1155 O TYR A 74 7.380 -10.245 -6.623 1.00 0.00 O ATOM 1156 CB TYR A 74 4.080 -9.918 -6.522 1.00 0.00 C ATOM 1157 CG TYR A 74 3.250 -9.560 -7.734 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.257 -10.412 -8.196 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.432 -8.362 -8.416 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.499 -10.075 -9.331 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.684 -7.989 -9.537 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.727 -8.886 -9.990 1.00 0.00 C ATOM 1163 OH TYR A 74 0.974 -8.544 -11.053 1.00 0.00 O ATOM 0 H TYR A 74 3.826 -12.241 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 74 5.274 -11.028 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.419 -10.234 -5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.606 -9.030 -6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.065 -11.341 -7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.193 -7.683 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.735 -10.750 -9.688 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.845 -7.042 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 74 1.269 -7.675 -11.397 1.00 0.00 H new ATOM 1173 N ILE A 75 6.393 -10.978 -4.739 1.00 0.00 N ATOM 1174 CA ILE A 75 7.559 -10.767 -3.905 1.00 0.00 C ATOM 1175 C ILE A 75 7.856 -11.939 -3.075 1.00 0.00 C ATOM 1176 O ILE A 75 7.493 -11.965 -1.931 1.00 0.00 O ATOM 1177 CB ILE A 75 7.338 -9.547 -2.983 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.425 -8.242 -3.814 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.443 -9.476 -2.002 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.471 -8.269 -4.926 1.00 0.00 C ATOM 0 H ILE A 75 5.581 -11.339 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 75 8.404 -10.591 -4.571 1.00 0.00 H new ATOM 0 HB ILE A 75 6.366 -9.650 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.449 -8.041 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.648 -7.413 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.294 -8.617 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.459 -10.388 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.391 -9.370 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.463 -7.317 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.458 -8.436 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.240 -9.074 -5.624 1.00 0.00 H new ATOM 1192 N PRO A 76 8.475 -13.002 -3.669 1.00 0.00 N ATOM 1193 CA PRO A 76 8.759 -14.194 -2.934 1.00 0.00 C ATOM 1194 C PRO A 76 9.708 -13.970 -1.740 1.00 0.00 C ATOM 1195 O PRO A 76 10.662 -13.194 -1.822 1.00 0.00 O ATOM 1196 CB PRO A 76 9.555 -15.074 -3.989 1.00 0.00 C ATOM 1197 CG PRO A 76 9.104 -14.510 -5.240 1.00 0.00 C ATOM 1198 CD PRO A 76 8.891 -13.077 -5.022 1.00 0.00 C ATOM 0 HA PRO A 76 7.841 -14.619 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.634 -14.985 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.311 -16.133 -3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.844 -14.673 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.182 -14.990 -5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.804 -12.506 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.134 -12.677 -5.697 1.00 0.00 H new ATOM 1206 N GLY A 77 9.341 -14.579 -0.614 1.00 0.00 N ATOM 1207 CA GLY A 77 10.160 -14.393 0.566 1.00 0.00 C ATOM 1208 C GLY A 77 9.475 -13.491 1.625 1.00 0.00 C ATOM 1209 O GLY A 77 9.832 -13.523 2.788 1.00 0.00 O ATOM 0 H GLY A 77 8.522 -15.176 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.381 -15.364 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.113 -13.950 0.277 1.00 0.00 H new ATOM 1213 N THR A 78 8.481 -12.746 1.145 1.00 0.00 N ATOM 1214 CA THR A 78 7.747 -11.861 2.053 1.00 0.00 C ATOM 1215 C THR A 78 6.412 -12.474 2.466 1.00 0.00 C ATOM 1216 O THR A 78 5.596 -12.860 1.635 1.00 0.00 O ATOM 1217 CB THR A 78 7.510 -10.512 1.372 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.830 -9.447 2.249 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.089 -10.279 0.908 1.00 0.00 C ATOM 0 H THR A 78 8.172 -12.733 0.173 1.00 0.00 H new ATOM 0 HA THR A 78 8.346 -11.721 2.953 1.00 0.00 H new ATOM 0 HB THR A 78 8.156 -10.540 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.034 -9.195 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.016 -9.298 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.811 -11.048 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.415 -10.322 1.764 1.00 0.00 H new ATOM 1227 N LYS A 79 6.169 -12.518 3.772 1.00 0.00 N ATOM 1228 CA LYS A 79 4.930 -13.075 4.303 1.00 0.00 C ATOM 1229 C LYS A 79 4.020 -11.972 4.830 1.00 0.00 C ATOM 1230 O LYS A 79 4.483 -11.019 5.457 1.00 0.00 O ATOM 1231 CB LYS A 79 5.234 -14.079 5.416 1.00 0.00 C ATOM 1232 CG LYS A 79 4.145 -15.121 5.610 1.00 0.00 C ATOM 1233 CD LYS A 79 3.517 -15.522 4.286 1.00 0.00 C ATOM 1234 CE LYS A 79 4.567 -15.955 3.278 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.458 -17.016 3.827 1.00 0.00 N ATOM 0 H LYS A 79 6.815 -12.174 4.483 1.00 0.00 H new ATOM 0 HA LYS A 79 4.414 -13.589 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.173 -14.585 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.379 -13.539 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.565 -16.001 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.376 -14.726 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.811 -16.336 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.949 -14.683 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.076 -16.323 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.166 -15.093 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.830 -17.595 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.249 -16.575 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.918 -17.620 4.479 1.00 0.00 H new ATOM 1249 N MET A 80 2.814 -12.302 4.642 1.00 0.00 N ATOM 1250 CA MET A 80 1.808 -11.240 5.073 1.00 0.00 C ATOM 1251 C MET A 80 0.989 -11.760 6.268 1.00 0.00 C ATOM 1252 O MET A 80 0.228 -12.671 6.151 1.00 0.00 O ATOM 1253 CB MET A 80 0.826 -10.839 3.949 1.00 0.00 C ATOM 1254 CG MET A 80 1.362 -9.788 3.011 1.00 0.00 C ATOM 1255 SD MET A 80 1.238 -8.127 3.682 1.00 0.00 S ATOM 1256 CE MET A 80 -0.161 -7.510 2.781 1.00 0.00 C ATOM 0 H MET A 80 2.456 -13.171 4.247 1.00 0.00 H new ATOM 0 HA MET A 80 2.387 -10.356 5.339 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.567 -11.727 3.373 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.096 -10.472 4.400 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.406 -10.007 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.816 -9.836 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.085 -6.541 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.419 -8.210 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.009 -7.400 3.457 1.00 0.00 H new ATOM 1266 N ILE A 81 1.317 -11.138 7.389 1.00 0.00 N ATOM 1267 CA ILE A 81 0.778 -11.387 8.660 1.00 0.00 C ATOM 1268 C ILE A 81 -0.263 -10.335 9.129 1.00 0.00 C ATOM 1269 O ILE A 81 -0.018 -9.158 9.067 1.00 0.00 O ATOM 1270 CB ILE A 81 1.874 -11.482 9.740 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.892 -12.534 9.391 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.280 -11.711 11.130 1.00 0.00 C ATOM 1273 CD1 ILE A 81 4.038 -12.059 8.538 1.00 0.00 C ATOM 0 H ILE A 81 2.019 -10.398 7.405 1.00 0.00 H new ATOM 0 HA ILE A 81 0.267 -12.343 8.544 1.00 0.00 H new ATOM 0 HB ILE A 81 2.390 -10.522 9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.295 -12.948 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.386 -13.348 8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.084 -11.772 11.864 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.619 -10.882 11.384 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.713 -12.642 11.134 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.715 -12.891 8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.653 -11.674 7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.576 -11.268 9.060 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.395 -10.916 9.568 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.370 -10.056 10.019 1.00 0.00 C ATOM 1287 C PHE A 82 -3.229 -9.591 8.818 1.00 0.00 C ATOM 1288 O PHE A 82 -2.842 -9.724 7.698 1.00 0.00 O ATOM 1289 CB PHE A 82 -1.790 -8.838 10.739 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.709 -8.221 11.726 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -2.789 -8.653 13.007 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.533 -7.120 11.340 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.651 -8.043 13.900 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.412 -6.573 12.231 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.490 -7.050 13.520 1.00 0.00 C ATOM 0 H PHE A 82 -1.601 -11.914 9.600 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.980 -10.596 10.743 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.873 -9.134 11.249 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.515 -8.088 9.997 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.175 -9.480 13.333 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.461 -6.719 10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.655 -8.368 14.930 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.051 -5.759 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.207 -6.640 14.216 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.402 -9.054 9.155 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.321 -8.578 8.129 1.00 0.00 C ATOM 1307 C ALA A 83 -6.765 -8.841 8.491 1.00 0.00 C ATOM 1308 O ALA A 83 -7.289 -9.895 8.161 1.00 0.00 O ATOM 1309 CB ALA A 83 -4.991 -9.175 6.817 1.00 0.00 C ATOM 0 H ALA A 83 -4.731 -8.940 10.114 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.200 -7.497 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.688 -8.807 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.975 -8.898 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.066 -10.260 6.882 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.377 -7.908 9.227 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.747 -8.045 9.596 1.00 0.00 C ATOM 1317 C GLY A 84 -9.709 -7.749 8.519 1.00 0.00 C ATOM 1318 O GLY A 84 -10.926 -7.544 8.782 1.00 0.00 O ATOM 0 H GLY A 84 -6.927 -7.059 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.915 -9.064 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.950 -7.383 10.438 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.307 -7.742 7.339 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.152 -7.451 6.187 1.00 0.00 C ATOM 1324 C ILE A 85 -9.878 -8.392 5.036 1.00 0.00 C ATOM 1325 O ILE A 85 -8.761 -8.893 4.866 1.00 0.00 O ATOM 1326 CB ILE A 85 -9.926 -6.003 5.644 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.269 -4.972 6.775 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.763 -5.766 4.424 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.524 -4.196 6.467 1.00 0.00 C ATOM 0 H ILE A 85 -8.339 -7.943 7.087 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.174 -7.569 6.547 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.882 -5.877 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.391 -5.499 7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.436 -4.280 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.594 -4.753 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.488 -6.482 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.816 -5.890 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.725 -3.493 7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.393 -3.648 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.363 -4.885 6.368 1.00 0.00 H new ATOM 1341 N LYS A 86 -10.926 -8.730 4.263 1.00 0.00 N ATOM 1342 CA LYS A 86 -10.805 -9.655 3.140 1.00 0.00 C ATOM 1343 C LYS A 86 -11.804 -9.309 2.045 1.00 0.00 C ATOM 1344 O LYS A 86 -11.460 -9.395 0.884 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.018 -11.065 3.627 1.00 0.00 C ATOM 1346 CG LYS A 86 -11.960 -11.229 4.810 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.309 -11.798 6.011 1.00 0.00 C ATOM 1348 CE LYS A 86 -11.979 -11.424 7.315 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.068 -11.399 8.461 1.00 0.00 N ATOM 0 H LYS A 86 -11.870 -8.369 4.404 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.804 -9.570 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.401 -11.660 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.049 -11.484 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.385 -10.258 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.789 -11.873 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.293 -12.884 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.271 -11.466 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.440 -10.442 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.782 -12.133 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.595 -11.136 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.646 -12.341 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.315 -10.703 8.290 1.00 0.00 H new ATOM 1363 N LYS A 87 -12.980 -8.939 2.454 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.029 -8.590 1.537 1.00 0.00 C ATOM 1365 C LYS A 87 -13.471 -7.848 0.300 1.00 0.00 C ATOM 1366 O LYS A 87 -12.909 -6.731 0.441 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.091 -7.672 2.237 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.479 -8.181 2.077 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.087 -8.629 3.437 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.324 -9.458 3.277 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.162 -10.553 2.267 1.00 0.00 N ATOM 0 H LYS A 87 -13.243 -8.870 3.437 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.497 -9.520 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.856 -7.595 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.026 -6.666 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.104 -7.403 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.481 -9.021 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.342 -9.200 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.321 -7.747 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.591 -9.894 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.151 -8.814 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.874 -11.292 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.290 -10.165 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.210 -10.963 2.350 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.602 -8.444 -0.832 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.064 -7.887 -2.075 1.00 0.00 C ATOM 1387 C LYS A 88 -13.546 -6.421 -2.242 1.00 0.00 C ATOM 1388 O LYS A 88 -12.768 -5.582 -2.678 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.552 -8.666 -3.274 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.095 -8.103 -4.577 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.337 -9.106 -5.729 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.436 -10.524 -5.254 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.653 -10.722 -4.453 1.00 0.00 N ATOM 0 H LYS A 88 -14.083 -9.336 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.977 -7.940 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.207 -9.697 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.642 -8.692 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.626 -7.173 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.034 -7.858 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.255 -8.838 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.525 -9.026 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.444 -11.199 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.558 -10.775 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.397 -10.817 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.284 -9.904 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.140 -11.585 -4.769 1.00 0.00 H new ATOM 1407 N THR A 89 -14.782 -6.142 -1.798 1.00 0.00 N ATOM 1408 CA THR A 89 -15.312 -4.804 -1.878 1.00 0.00 C ATOM 1409 C THR A 89 -14.660 -3.867 -0.943 1.00 0.00 C ATOM 1410 O THR A 89 -14.462 -2.609 -1.151 1.00 0.00 O ATOM 1411 CB THR A 89 -16.843 -4.824 -1.635 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.085 -4.759 -0.233 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.516 -6.129 -2.115 1.00 0.00 C ATOM 0 H THR A 89 -15.414 -6.829 -1.387 1.00 0.00 H new ATOM 0 HA THR A 89 -15.100 -4.440 -2.883 1.00 0.00 H new ATOM 0 HB THR A 89 -17.253 -3.980 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.051 -4.769 -0.067 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.587 -6.080 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.350 -6.251 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.086 -6.977 -1.582 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.150 -4.392 0.195 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.473 -3.595 1.196 1.00 0.00 C ATOM 1423 C GLU A 90 -12.067 -3.247 0.773 1.00 0.00 C ATOM 1424 O GLU A 90 -11.614 -2.106 0.887 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.417 -4.374 2.512 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.777 -4.834 3.035 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.325 -3.950 4.066 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -15.883 -2.879 3.680 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.328 -4.281 5.264 1.00 0.00 O ATOM 0 H GLU A 90 -14.206 -5.383 0.428 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.033 -2.668 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.780 -5.248 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.943 -3.749 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.479 -4.891 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.682 -5.841 3.441 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.416 -4.298 0.285 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.083 -4.124 -0.187 1.00 0.00 C ATOM 1438 C ARG A 91 -10.033 -3.112 -1.356 1.00 0.00 C ATOM 1439 O ARG A 91 -9.266 -2.150 -1.348 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.358 -5.393 -0.639 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.951 -6.302 0.507 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.595 -6.941 0.256 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.626 -8.388 0.456 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.838 -9.237 -0.191 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.959 -8.786 -1.077 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.925 -10.539 0.045 1.00 0.00 N ATOM 0 H ARG A 91 -11.791 -5.244 0.214 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.557 -3.759 0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.004 -5.948 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.468 -5.112 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.918 -5.729 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.702 -7.080 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.274 -6.723 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.856 -6.498 0.924 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.291 -8.767 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.888 -7.785 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.354 -9.440 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.599 -10.890 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.318 -11.189 -0.454 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.832 -3.352 -2.255 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.902 -2.442 -3.437 1.00 0.00 C ATOM 1462 C GLU A 92 -11.257 -1.017 -3.027 1.00 0.00 C ATOM 1463 O GLU A 92 -10.702 -0.111 -3.599 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.914 -3.007 -4.440 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.876 -2.337 -5.806 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.542 -2.629 -6.496 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.805 -3.489 -6.024 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.313 -1.961 -7.559 1.00 0.00 O ATOM 0 H GLU A 92 -11.476 -4.143 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.920 -2.392 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.728 -4.074 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.917 -2.905 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.700 -2.700 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.010 -1.261 -5.696 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.216 -0.931 -2.138 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.631 0.406 -1.644 1.00 0.00 C ATOM 1477 C ASP A 93 -11.442 1.161 -1.124 1.00 0.00 C ATOM 1478 O ASP A 93 -11.254 2.334 -1.455 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.697 0.217 -0.534 1.00 0.00 C ATOM 1480 CG ASP A 93 -13.894 1.499 0.164 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.375 1.448 1.365 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.617 2.593 -0.359 1.00 0.00 O ATOM 0 H ASP A 93 -12.721 -1.723 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.061 0.987 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.637 -0.124 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.375 -0.550 0.171 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.577 0.516 -0.238 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.423 1.062 0.302 1.00 0.00 C ATOM 1489 C GLY A 94 -8.486 1.518 -0.794 1.00 0.00 C ATOM 1490 O GLY A 94 -7.828 2.563 -0.657 1.00 0.00 O ATOM 0 H GLY A 94 -10.745 -0.438 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.679 1.905 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.924 0.324 0.930 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.368 0.877 -1.844 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.502 1.226 -2.958 1.00 0.00 C ATOM 1496 C ILE A 95 -7.938 2.440 -3.633 1.00 0.00 C ATOM 1497 O ILE A 95 -7.085 3.277 -3.989 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.521 0.116 -4.008 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.372 -0.859 -3.750 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.378 0.716 -5.401 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.229 -1.868 -4.855 1.00 0.00 C ATOM 0 H ILE A 95 -8.893 0.019 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.507 1.371 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.469 -0.417 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.441 -0.302 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.541 -1.377 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.392 -0.081 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.204 1.402 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.435 1.258 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.401 -2.540 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.150 -2.444 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.032 -1.353 -5.795 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.243 2.682 -3.690 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.751 3.928 -4.251 1.00 0.00 C ATOM 1515 C ALA A 96 -9.192 5.125 -3.499 1.00 0.00 C ATOM 1516 O ALA A 96 -8.677 6.084 -4.080 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.273 3.938 -4.229 1.00 0.00 C ATOM 0 H ALA A 96 -9.962 2.039 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.422 3.998 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.637 4.875 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.651 3.103 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.623 3.843 -3.201 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.251 5.031 -2.175 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.771 6.061 -1.323 1.00 0.00 C ATOM 1525 C TYR A 97 -7.268 6.256 -1.540 1.00 0.00 C ATOM 1526 O TYR A 97 -6.750 7.360 -1.510 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.010 5.748 0.159 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.271 6.605 1.157 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.683 6.041 2.267 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.105 7.977 0.901 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -6.974 6.853 3.171 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.408 8.731 1.802 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.823 8.201 2.922 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.153 8.993 3.806 1.00 0.00 O ATOM 0 H TYR A 97 -9.638 4.227 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.322 6.967 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.078 5.837 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.738 4.707 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.766 4.979 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.520 8.426 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.547 6.419 4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.314 9.792 1.624 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.140 9.915 3.474 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.600 5.092 -1.743 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.153 5.134 -2.004 1.00 0.00 C ATOM 1546 C LEU A 98 -4.831 5.885 -3.256 1.00 0.00 C ATOM 1547 O LEU A 98 -3.801 6.534 -3.390 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.641 3.696 -2.116 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.426 3.356 -1.226 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.186 1.867 -1.215 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.192 4.084 -1.759 1.00 0.00 C ATOM 0 H LEU A 98 -7.019 4.162 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.666 5.657 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.456 3.017 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.375 3.503 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.626 3.680 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.326 1.642 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.067 1.359 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.991 1.522 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.331 3.847 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.995 3.765 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.368 5.160 -1.741 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.717 5.797 -4.266 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.527 6.474 -5.542 1.00 0.00 C ATOM 1565 C LYS A 99 -5.407 7.980 -5.344 1.00 0.00 C ATOM 1566 O LYS A 99 -4.542 8.625 -5.936 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.688 6.164 -6.488 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.037 4.687 -6.561 1.00 0.00 C ATOM 1569 CD LYS A 99 -5.836 3.850 -6.972 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.034 3.395 -5.765 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.053 2.005 -5.556 1.00 0.00 N ATOM 0 H LYS A 99 -6.579 5.254 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.601 6.107 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.567 6.721 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.436 6.519 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.402 4.350 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.847 4.538 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.173 2.980 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.197 4.431 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.000 3.720 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.423 3.891 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.011 1.807 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.929 1.607 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.233 1.572 -6.027 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.247 8.528 -4.505 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.260 9.957 -4.237 1.00 0.00 C ATOM 1587 C LYS A 100 -5.130 10.293 -3.288 1.00 0.00 C ATOM 1588 O LYS A 100 -4.478 11.379 -3.405 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.603 10.378 -3.650 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.427 11.307 -2.425 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.814 11.568 -1.776 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.791 12.060 -2.824 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.577 13.471 -3.256 1.00 0.00 N ATOM 0 H LYS A 100 -6.947 8.001 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.119 10.503 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.189 10.890 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.166 9.492 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.754 10.849 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.973 12.249 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.189 10.652 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.719 12.306 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.724 11.412 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.804 11.963 -2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.586 13.521 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.336 14.070 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.659 13.807 -2.901 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.899 9.395 -2.294 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.858 9.545 -1.290 1.00 0.00 C ATOM 1609 C ALA A 101 -2.495 9.685 -1.955 1.00 0.00 C ATOM 1610 O ALA A 101 -1.602 10.315 -1.387 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.873 8.338 -0.372 1.00 0.00 C ATOM 0 H ALA A 101 -5.447 8.542 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.047 10.447 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.094 8.445 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.844 8.265 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.691 7.435 -0.955 1.00 0.00 H new ATOM 1617 N THR A 102 -2.336 9.121 -3.144 1.00 0.00 N ATOM 1618 CA THR A 102 -1.088 9.223 -3.838 1.00 0.00 C ATOM 1619 C THR A 102 -1.269 10.312 -4.843 1.00 0.00 C ATOM 1620 O THR A 102 -0.316 10.961 -5.342 1.00 0.00 O ATOM 1621 CB THR A 102 -0.703 7.931 -4.506 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.247 8.100 -5.571 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.895 7.180 -5.059 1.00 0.00 C ATOM 0 H THR A 102 -3.059 8.594 -3.635 1.00 0.00 H new ATOM 0 HA THR A 102 -0.278 9.443 -3.143 1.00 0.00 H new ATOM 0 HB THR A 102 -0.241 7.352 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.230 8.246 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.557 6.257 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.584 6.943 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.404 7.799 -5.798 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.531 10.557 -5.211 1.00 0.00 N ATOM 1632 CA ASN A 103 -2.890 11.599 -6.174 1.00 0.00 C ATOM 1633 C ASN A 103 -4.338 12.043 -5.918 1.00 0.00 C ATOM 1634 O ASN A 103 -5.265 11.316 -6.256 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.692 11.132 -7.620 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.635 10.074 -7.725 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -2.009 8.815 -7.450 1.00 0.00 O flip ATOM 1638 ND2 ASN A 103 -0.480 10.337 -8.009 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.331 10.038 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.225 12.451 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.634 10.744 -8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.417 11.984 -8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.212 11.299 -8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.219 9.595 -8.040 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.573 13.346 -5.463 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.860 13.944 -5.231 1.00 0.00 C ATOM 1647 C GLU A 104 -5.844 14.958 -4.072 1.00 0.00 C ATOM 1648 O GLU A 104 -6.204 16.090 -4.372 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.891 12.840 -4.873 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.528 12.224 -6.103 1.00 0.00 C ATOM 1651 CD GLU A 104 -8.969 12.649 -6.270 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.221 13.648 -7.059 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.854 12.093 -5.647 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.435 14.533 -2.933 1.00 0.00 O ATOM 0 H GLU A 104 -3.807 13.987 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.129 14.467 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.397 12.060 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.669 13.265 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.960 12.513 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.477 11.138 -6.032 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.793 -4.759 3.306 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.539 -4.865 1.323 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.128 -3.058 1.063 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.080 -5.610 4.860 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.563 -5.860 5.885 1.00 0.00 C HETATM 1667 NA HEC A 201 2.229 -4.291 1.448 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.484 -4.074 0.979 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.561 -2.901 0.140 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.319 -2.384 0.103 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.485 -3.245 0.910 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.886 -1.137 -0.648 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.795 -2.355 -0.558 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.585 -0.935 -1.065 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.914 -0.345 -1.505 1.00 0.00 C HETATM 1676 O1A HEC A 201 6.103 0.835 -1.265 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.700 -1.092 -2.066 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.103 -4.474 2.964 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.626 -3.632 2.041 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.041 -3.406 2.241 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.390 -4.165 3.395 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.173 -4.789 3.768 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.960 -2.531 1.406 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.770 -4.233 3.940 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.960 -4.174 3.002 1.00 0.00 C HETATM 1686 NC HEC A 201 1.339 -5.496 5.057 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.091 -5.906 5.502 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.186 -6.694 6.717 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.574 -6.771 7.002 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.198 -6.025 5.984 1.00 0.00 C HETATM 1691 CMC HEC A 201 -0.955 -7.315 7.513 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.193 -7.453 8.154 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.572 -8.894 8.446 1.00 0.00 C HETATM 1694 ND HEC A 201 3.679 -5.272 3.559 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.267 -5.734 4.714 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.662 -6.039 4.539 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.934 -5.759 3.253 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.721 -5.278 2.623 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.621 -6.572 5.594 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.253 -5.889 2.492 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.144 -6.764 1.254 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.748 -7.371 1.150 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.284 -7.504 0.027 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.197 -7.678 2.194 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.681 -5.865 6.421 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.259 -7.532 5.963 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.610 -6.701 5.154 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.631 -6.530 7.853 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.501 -8.015 6.880 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.551 -7.845 8.375 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.600 -1.502 1.426 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.970 -2.892 0.377 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.970 -2.570 1.814 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.448 -0.278 -0.281 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.078 -1.268 -1.713 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.821 -0.968 -0.490 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.357 -6.173 0.364 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.890 -7.558 1.296 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.681 -9.520 8.403 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.293 -9.238 7.704 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 3.015 -8.960 9.440 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.942 -3.235 2.450 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.913 -5.008 2.301 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.882 -4.237 3.580 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.883 -0.937 -1.899 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.145 -0.320 -0.280 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.596 -4.897 2.199 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.010 -6.304 3.157 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.639 -2.372 0.132 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 5.054 -3.004 -1.395 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.131 -5.827 6.815 1.00 0.00 H new HETATM 0 HHC HEC A 201 -1.998 -6.056 5.242 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.377 -2.405 0.351 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.249 -5.175 0.557 1.00 0.00 H new