USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.684 K(o=-0.68,f=-3.3!) USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 89 GLN : amide:sc= -0.0977 K(o=-0.098,f=-0.8) USER MOD Set 3.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 43 MET CE :methyl 163:sc= -0.668 (180deg=-1.25) USER MOD Set 4.1: A 16 MET CE :methyl 142:sc= -0.145 (180deg=-0.849) USER MOD Set 4.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 10 ASN : amide:sc= -2.42! K(o=-2.4!,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.863 K(o=-0.86,f=-6.4!) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.13 (180deg=-0.584) USER MOD Single : A 18 GLN : amide:sc= -0.115 K(o=-0.11,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.0221 (180deg=-0.216) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.04 K(o=1,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00804 X(o=-0.008,f=-0.035) USER MOD Single : A 57 THR OG1 : rot 147:sc= 1.26 USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= -0.377 (180deg=-3.28!) USER MOD Single : A 67 ASN : amide:sc= -3.15! C(o=-3.1!,f=-1.1!) USER MOD Single : A 69 HIS : no HE2:sc= -0.177 K(o=-0.18,f=-1.7) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.35!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.18) USER MOD Single : A 80 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-1.9!) USER MOD Single : A 86 MET CE :methyl -135:sc= -0.331 (180deg=-2.44!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=-0.0087) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 107 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-0.748) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.0906 (180deg=-0.576) USER MOD Single : A 110 LYS NZ :NH3+ -173:sc= 2.26 (180deg=2.16) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 145:sc= -1.09 (180deg=-3.57!) USER MOD Single : A 119 LYS NZ :NH3+ 171:sc= -0.0111 (180deg=-0.0904) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.617 K(o=-0.62,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -10.004 -15.049 -0.943 1.00 0.00 N ATOM 15 CA PRO A 2 -10.646 -13.725 -0.952 1.00 0.00 C ATOM 16 C PRO A 2 -10.337 -12.910 0.302 1.00 0.00 C ATOM 17 O PRO A 2 -10.439 -11.683 0.291 1.00 0.00 O ATOM 18 CB PRO A 2 -12.145 -14.046 -1.015 1.00 0.00 C ATOM 19 CG PRO A 2 -12.225 -15.443 -1.523 1.00 0.00 C ATOM 20 CD PRO A 2 -10.992 -16.136 -1.023 1.00 0.00 C ATOM 0 HA PRO A 2 -10.288 -13.117 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.608 -13.957 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.668 -13.356 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.125 -15.939 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.268 -15.460 -2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.158 -16.602 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.669 -16.924 -1.703 1.00 0.00 H new ATOM 28 N GLU A 3 -9.949 -13.609 1.368 1.00 0.00 N ATOM 29 CA GLU A 3 -9.626 -12.981 2.647 1.00 0.00 C ATOM 30 C GLU A 3 -8.635 -11.829 2.481 1.00 0.00 C ATOM 31 O GLU A 3 -9.006 -10.664 2.625 1.00 0.00 O ATOM 32 CB GLU A 3 -9.051 -14.026 3.607 1.00 0.00 C ATOM 33 CG GLU A 3 -8.740 -13.482 4.992 1.00 0.00 C ATOM 34 CD GLU A 3 -9.975 -12.973 5.706 1.00 0.00 C ATOM 35 OE1 GLU A 3 -10.317 -11.782 5.545 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.607 -13.761 6.432 1.00 0.00 O ATOM 0 H GLU A 3 -9.850 -14.624 1.369 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.548 -12.569 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.760 -14.849 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.139 -14.439 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.275 -14.265 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.014 -12.673 4.907 1.00 0.00 H new ATOM 43 N ILE A 4 -7.382 -12.144 2.166 1.00 0.00 N ATOM 44 CA ILE A 4 -6.382 -11.107 1.978 1.00 0.00 C ATOM 45 C ILE A 4 -6.444 -10.522 0.562 1.00 0.00 C ATOM 46 O ILE A 4 -5.810 -9.508 0.268 1.00 0.00 O ATOM 47 CB ILE A 4 -4.955 -11.620 2.297 1.00 0.00 C ATOM 48 CG1 ILE A 4 -4.000 -10.439 2.499 1.00 0.00 C ATOM 49 CG2 ILE A 4 -4.440 -12.540 1.194 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.659 -10.831 3.080 1.00 0.00 C ATOM 0 H ILE A 4 -7.041 -13.097 2.038 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.613 -10.310 2.685 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.001 -12.198 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.840 -9.945 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.472 -9.710 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.437 -12.884 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.104 -13.399 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.411 -11.995 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.038 -9.942 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.807 -11.298 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.165 -11.536 2.411 1.00 0.00 H new ATOM 62 N MET A 5 -7.222 -11.165 -0.305 1.00 0.00 N ATOM 63 CA MET A 5 -7.405 -10.700 -1.673 1.00 0.00 C ATOM 64 C MET A 5 -8.143 -9.368 -1.673 1.00 0.00 C ATOM 65 O MET A 5 -7.989 -8.553 -2.582 1.00 0.00 O ATOM 66 CB MET A 5 -8.195 -11.738 -2.463 1.00 0.00 C ATOM 67 CG MET A 5 -8.208 -11.503 -3.963 1.00 0.00 C ATOM 68 SD MET A 5 -9.185 -12.742 -4.837 1.00 0.00 S ATOM 69 CE MET A 5 -8.945 -12.223 -6.534 1.00 0.00 C ATOM 0 H MET A 5 -7.738 -12.015 -0.080 1.00 0.00 H new ATOM 0 HA MET A 5 -6.431 -10.561 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.776 -12.725 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.223 -11.749 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 5 -8.611 -10.512 -4.170 1.00 0.00 H new ATOM 0 HG3 MET A 5 -7.185 -11.516 -4.340 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.489 -12.893 -7.200 1.00 0.00 H new ATOM 0 HE2 MET A 5 -9.317 -11.206 -6.659 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.883 -12.254 -6.777 1.00 0.00 H new ATOM 79 N LYS A 6 -8.965 -9.170 -0.652 1.00 0.00 N ATOM 80 CA LYS A 6 -9.618 -7.893 -0.438 1.00 0.00 C ATOM 81 C LYS A 6 -8.681 -6.955 0.308 1.00 0.00 C ATOM 82 O LYS A 6 -8.521 -7.061 1.525 1.00 0.00 O ATOM 83 CB LYS A 6 -10.923 -8.078 0.340 1.00 0.00 C ATOM 84 CG LYS A 6 -12.063 -8.616 -0.507 1.00 0.00 C ATOM 85 CD LYS A 6 -12.531 -7.580 -1.515 1.00 0.00 C ATOM 86 CE LYS A 6 -13.585 -8.141 -2.452 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.129 -7.095 -3.355 1.00 0.00 N ATOM 0 H LYS A 6 -9.194 -9.882 0.041 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.861 -7.455 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.747 -8.759 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.220 -7.121 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.739 -9.516 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.894 -8.903 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.936 -6.717 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.679 -7.227 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.152 -8.946 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.396 -8.576 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.846 -7.515 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.564 -6.339 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.359 -6.697 -3.930 1.00 0.00 H new ATOM 101 N ASN A 7 -8.046 -6.056 -0.434 1.00 0.00 N ATOM 102 CA ASN A 7 -7.098 -5.113 0.147 1.00 0.00 C ATOM 103 C ASN A 7 -7.791 -4.217 1.161 1.00 0.00 C ATOM 104 O ASN A 7 -8.901 -3.737 0.924 1.00 0.00 O ATOM 105 CB ASN A 7 -6.452 -4.242 -0.936 1.00 0.00 C ATOM 106 CG ASN A 7 -5.615 -5.036 -1.923 1.00 0.00 C ATOM 107 OD1 ASN A 7 -6.124 -5.516 -2.932 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.325 -5.163 -1.649 1.00 0.00 N ATOM 0 H ASN A 7 -8.171 -5.960 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.321 -5.693 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.233 -3.709 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.824 -3.489 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.716 -5.675 -2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.941 -4.749 -0.800 1.00 0.00 H new ATOM 115 N LEU A 8 -7.118 -3.988 2.285 1.00 0.00 N ATOM 116 CA LEU A 8 -7.659 -3.176 3.373 1.00 0.00 C ATOM 117 C LEU A 8 -8.092 -1.802 2.873 1.00 0.00 C ATOM 118 O LEU A 8 -9.080 -1.244 3.348 1.00 0.00 O ATOM 119 CB LEU A 8 -6.613 -3.016 4.477 1.00 0.00 C ATOM 120 CG LEU A 8 -6.098 -4.325 5.082 1.00 0.00 C ATOM 121 CD1 LEU A 8 -4.968 -4.051 6.061 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.229 -5.076 5.771 1.00 0.00 C ATOM 0 H LEU A 8 -6.185 -4.358 2.468 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.535 -3.688 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.765 -2.462 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.040 -2.409 5.275 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.712 -4.948 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.614 -4.993 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.148 -3.555 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.330 -3.409 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.845 -6.004 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.644 -4.458 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.009 -5.305 5.045 1.00 0.00 H new ATOM 134 N SER A 9 -7.359 -1.277 1.901 1.00 0.00 N ATOM 135 CA SER A 9 -7.652 0.029 1.333 1.00 0.00 C ATOM 136 C SER A 9 -9.029 0.050 0.673 1.00 0.00 C ATOM 137 O SER A 9 -9.781 1.014 0.819 1.00 0.00 O ATOM 138 CB SER A 9 -6.568 0.383 0.317 1.00 0.00 C ATOM 139 OG SER A 9 -6.265 -0.738 -0.502 1.00 0.00 O ATOM 0 H SER A 9 -6.551 -1.741 1.487 1.00 0.00 H new ATOM 0 HA SER A 9 -7.663 0.768 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.902 1.214 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.669 0.714 0.837 1.00 0.00 H new ATOM 0 HG SER A 9 -5.570 -0.493 -1.148 1.00 0.00 H new ATOM 145 N ASN A 10 -9.360 -1.031 -0.029 1.00 0.00 N ATOM 146 CA ASN A 10 -10.650 -1.145 -0.700 1.00 0.00 C ATOM 147 C ASN A 10 -11.756 -1.474 0.293 1.00 0.00 C ATOM 148 O ASN A 10 -12.906 -1.082 0.101 1.00 0.00 O ATOM 149 CB ASN A 10 -10.610 -2.201 -1.810 1.00 0.00 C ATOM 150 CG ASN A 10 -9.801 -1.749 -3.013 1.00 0.00 C ATOM 151 OD1 ASN A 10 -10.311 -1.057 -3.894 1.00 0.00 O ATOM 152 ND2 ASN A 10 -8.539 -2.153 -3.073 1.00 0.00 N ATOM 0 H ASN A 10 -8.751 -1.841 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.865 -0.178 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.183 -3.123 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.628 -2.430 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.957 -1.891 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.151 -2.726 -2.324 1.00 0.00 H new ATOM 159 N ASN A 11 -11.403 -2.190 1.355 1.00 0.00 N ATOM 160 CA ASN A 11 -12.375 -2.548 2.382 1.00 0.00 C ATOM 161 C ASN A 11 -12.811 -1.299 3.132 1.00 0.00 C ATOM 162 O ASN A 11 -14.003 -1.010 3.232 1.00 0.00 O ATOM 163 CB ASN A 11 -11.796 -3.576 3.361 1.00 0.00 C ATOM 164 CG ASN A 11 -11.464 -4.898 2.695 1.00 0.00 C ATOM 165 OD1 ASN A 11 -12.090 -5.288 1.708 1.00 0.00 O ATOM 166 ND2 ASN A 11 -10.483 -5.603 3.238 1.00 0.00 N ATOM 0 H ASN A 11 -10.458 -2.532 1.527 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.239 -3.000 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.895 -3.168 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.511 -3.749 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.221 -6.504 2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.989 -5.244 4.055 1.00 0.00 H new ATOM 173 N PHE A 12 -11.839 -0.574 3.677 1.00 0.00 N ATOM 174 CA PHE A 12 -12.099 0.753 4.235 1.00 0.00 C ATOM 175 C PHE A 12 -12.707 1.689 3.180 1.00 0.00 C ATOM 176 O PHE A 12 -13.927 1.849 3.134 1.00 0.00 O ATOM 177 CB PHE A 12 -10.824 1.366 4.828 1.00 0.00 C ATOM 178 CG PHE A 12 -10.383 0.716 6.112 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.069 0.955 7.293 1.00 0.00 C ATOM 180 CD2 PHE A 12 -9.281 -0.124 6.140 1.00 0.00 C ATOM 181 CE1 PHE A 12 -10.667 0.365 8.476 1.00 0.00 C ATOM 182 CE2 PHE A 12 -8.875 -0.717 7.320 1.00 0.00 C ATOM 183 CZ PHE A 12 -9.567 -0.472 8.488 1.00 0.00 C ATOM 0 H PHE A 12 -10.868 -0.879 3.745 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.823 0.633 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.020 1.289 4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.991 2.428 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.928 1.610 7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.734 -0.317 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.211 0.557 9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.016 -1.372 7.328 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.250 -0.934 9.411 1.00 0.00 H new ATOM 193 N GLY A 13 -11.867 2.295 2.323 1.00 0.00 N ATOM 194 CA GLY A 13 -12.365 3.167 1.269 1.00 0.00 C ATOM 195 C GLY A 13 -13.322 4.241 1.762 1.00 0.00 C ATOM 196 O GLY A 13 -14.286 4.577 1.072 1.00 0.00 O ATOM 0 H GLY A 13 -10.852 2.193 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.519 3.646 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.870 2.561 0.517 1.00 0.00 H new ATOM 200 N LYS A 14 -13.072 4.778 2.954 1.00 0.00 N ATOM 201 CA LYS A 14 -13.928 5.818 3.502 1.00 0.00 C ATOM 202 C LYS A 14 -13.767 7.110 2.710 1.00 0.00 C ATOM 203 O LYS A 14 -14.750 7.716 2.285 1.00 0.00 O ATOM 204 CB LYS A 14 -13.617 6.060 4.979 1.00 0.00 C ATOM 205 CG LYS A 14 -14.652 6.934 5.663 1.00 0.00 C ATOM 206 CD LYS A 14 -14.359 7.104 7.142 1.00 0.00 C ATOM 207 CE LYS A 14 -15.535 7.742 7.860 1.00 0.00 C ATOM 208 NZ LYS A 14 -16.749 6.887 7.792 1.00 0.00 N ATOM 0 H LYS A 14 -12.290 4.511 3.552 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.962 5.483 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.559 5.102 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.637 6.529 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.676 7.912 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.641 6.493 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.140 6.133 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.470 7.722 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.272 7.919 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.749 8.714 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.388 7.128 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.236 7.047 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.474 5.887 7.864 1.00 0.00 H new ATOM 222 N ALA A 15 -12.522 7.516 2.504 1.00 0.00 N ATOM 223 CA ALA A 15 -12.228 8.718 1.738 1.00 0.00 C ATOM 224 C ALA A 15 -10.844 8.625 1.111 1.00 0.00 C ATOM 225 O ALA A 15 -9.832 8.745 1.796 1.00 0.00 O ATOM 226 CB ALA A 15 -12.332 9.955 2.619 1.00 0.00 C ATOM 0 H ALA A 15 -11.698 7.029 2.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.964 8.804 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.109 10.843 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.342 10.032 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.620 9.878 3.440 1.00 0.00 H new ATOM 232 N MET A 16 -10.802 8.391 -0.193 1.00 0.00 N ATOM 233 CA MET A 16 -9.536 8.302 -0.912 1.00 0.00 C ATOM 234 C MET A 16 -8.944 9.696 -1.112 1.00 0.00 C ATOM 235 O MET A 16 -7.734 9.858 -1.291 1.00 0.00 O ATOM 236 CB MET A 16 -9.738 7.610 -2.266 1.00 0.00 C ATOM 237 CG MET A 16 -8.455 7.429 -3.062 1.00 0.00 C ATOM 238 SD MET A 16 -8.727 6.609 -4.646 1.00 0.00 S ATOM 239 CE MET A 16 -9.872 7.744 -5.426 1.00 0.00 C ATOM 0 H MET A 16 -11.629 8.259 -0.776 1.00 0.00 H new ATOM 0 HA MET A 16 -8.840 7.708 -0.320 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.192 6.633 -2.100 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.443 8.192 -2.859 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.000 8.404 -3.236 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.746 6.847 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.642 7.819 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.891 7.377 -5.300 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.781 8.727 -4.964 1.00 0.00 H new ATOM 249 N ASP A 17 -9.812 10.700 -1.042 1.00 0.00 N ATOM 250 CA ASP A 17 -9.419 12.088 -1.280 1.00 0.00 C ATOM 251 C ASP A 17 -8.404 12.572 -0.249 1.00 0.00 C ATOM 252 O ASP A 17 -7.603 13.468 -0.524 1.00 0.00 O ATOM 253 CB ASP A 17 -10.647 13.000 -1.267 1.00 0.00 C ATOM 254 CG ASP A 17 -10.307 14.435 -1.624 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.010 14.700 -2.807 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.343 15.306 -0.729 1.00 0.00 O ATOM 0 H ASP A 17 -10.800 10.578 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.948 12.130 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.386 12.619 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.105 12.973 -0.278 1.00 0.00 H new ATOM 261 N GLN A 18 -8.393 11.941 0.916 1.00 0.00 N ATOM 262 CA GLN A 18 -7.521 12.386 1.993 1.00 0.00 C ATOM 263 C GLN A 18 -6.131 11.787 1.830 1.00 0.00 C ATOM 264 O GLN A 18 -5.150 12.370 2.273 1.00 0.00 O ATOM 265 CB GLN A 18 -8.101 12.018 3.365 1.00 0.00 C ATOM 266 CG GLN A 18 -8.103 10.527 3.669 1.00 0.00 C ATOM 267 CD GLN A 18 -8.682 10.211 5.036 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.883 9.988 5.180 1.00 0.00 O ATOM 269 NE2 GLN A 18 -7.832 10.197 6.050 1.00 0.00 N ATOM 0 H GLN A 18 -8.970 11.130 1.138 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.447 13.472 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.529 12.533 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.124 12.390 3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.679 10.005 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.083 10.147 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.843 10.387 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.166 9.996 6.993 1.00 0.00 H new ATOM 278 N CYS A 19 -6.042 10.643 1.164 1.00 0.00 N ATOM 279 CA CYS A 19 -4.744 10.080 0.824 1.00 0.00 C ATOM 280 C CYS A 19 -4.134 10.857 -0.328 1.00 0.00 C ATOM 281 O CYS A 19 -2.924 11.071 -0.377 1.00 0.00 O ATOM 282 CB CYS A 19 -4.855 8.602 0.448 1.00 0.00 C ATOM 283 SG CYS A 19 -4.879 7.470 1.870 1.00 0.00 S ATOM 0 H CYS A 19 -6.843 10.093 0.852 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.103 10.157 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.764 8.454 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.017 8.339 -0.197 1.00 0.00 H new ATOM 288 N LYS A 20 -4.990 11.301 -1.239 1.00 0.00 N ATOM 289 CA LYS A 20 -4.544 12.024 -2.416 1.00 0.00 C ATOM 290 C LYS A 20 -3.875 13.330 -2.009 1.00 0.00 C ATOM 291 O LYS A 20 -2.763 13.634 -2.443 1.00 0.00 O ATOM 292 CB LYS A 20 -5.724 12.291 -3.358 1.00 0.00 C ATOM 293 CG LYS A 20 -5.381 12.185 -4.843 1.00 0.00 C ATOM 294 CD LYS A 20 -4.369 13.232 -5.285 1.00 0.00 C ATOM 295 CE LYS A 20 -4.905 14.079 -6.431 1.00 0.00 C ATOM 296 NZ LYS A 20 -6.119 14.847 -6.040 1.00 0.00 N ATOM 0 H LYS A 20 -6.000 11.171 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.814 11.413 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.522 11.585 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.115 13.289 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.985 11.191 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.292 12.294 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.119 13.876 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.447 12.740 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.131 14.770 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.141 13.435 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.235 15.661 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.955 14.233 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.016 15.184 -5.062 1.00 0.00 H new ATOM 310 N ASP A 21 -4.553 14.082 -1.151 1.00 0.00 N ATOM 311 CA ASP A 21 -4.044 15.366 -0.684 1.00 0.00 C ATOM 312 C ASP A 21 -2.851 15.186 0.252 1.00 0.00 C ATOM 313 O ASP A 21 -1.850 15.896 0.138 1.00 0.00 O ATOM 314 CB ASP A 21 -5.147 16.144 0.036 1.00 0.00 C ATOM 315 CG ASP A 21 -4.620 17.394 0.710 1.00 0.00 C ATOM 316 OD1 ASP A 21 -4.326 18.377 0.002 1.00 0.00 O ATOM 317 OD2 ASP A 21 -4.487 17.398 1.948 1.00 0.00 O ATOM 0 H ASP A 21 -5.460 13.824 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.713 15.927 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.922 16.419 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.615 15.501 0.782 1.00 0.00 H new ATOM 322 N GLU A 22 -2.957 14.223 1.158 1.00 0.00 N ATOM 323 CA GLU A 22 -1.935 14.002 2.174 1.00 0.00 C ATOM 324 C GLU A 22 -0.597 13.635 1.533 1.00 0.00 C ATOM 325 O GLU A 22 0.451 14.162 1.911 1.00 0.00 O ATOM 326 CB GLU A 22 -2.390 12.890 3.118 1.00 0.00 C ATOM 327 CG GLU A 22 -2.053 13.125 4.580 1.00 0.00 C ATOM 328 CD GLU A 22 -0.569 13.114 4.870 1.00 0.00 C ATOM 329 OE1 GLU A 22 0.068 12.059 4.687 1.00 0.00 O ATOM 330 OE2 GLU A 22 -0.045 14.144 5.340 1.00 0.00 O ATOM 0 H GLU A 22 -3.746 13.578 1.210 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.796 14.925 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.469 12.769 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.935 11.952 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.468 14.084 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.538 12.358 5.184 1.00 0.00 H new ATOM 337 N LEU A 23 -0.639 12.749 0.545 1.00 0.00 N ATOM 338 CA LEU A 23 0.578 12.299 -0.119 1.00 0.00 C ATOM 339 C LEU A 23 1.008 13.292 -1.172 1.00 0.00 C ATOM 340 O LEU A 23 2.133 13.239 -1.667 1.00 0.00 O ATOM 341 CB LEU A 23 0.370 10.925 -0.764 1.00 0.00 C ATOM 342 CG LEU A 23 -0.074 9.837 0.204 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.124 8.459 -0.396 1.00 0.00 C ATOM 344 CD2 LEU A 23 0.689 9.995 1.494 1.00 0.00 C ATOM 0 H LEU A 23 -1.498 12.330 0.188 1.00 0.00 H new ATOM 0 HA LEU A 23 1.360 12.220 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.375 11.017 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.301 10.615 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.140 9.940 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.201 7.702 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.463 8.373 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.179 8.311 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.380 9.221 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.757 9.902 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.482 10.976 1.921 1.00 0.00 H new ATOM 356 N SER A 24 0.099 14.200 -1.498 1.00 0.00 N ATOM 357 CA SER A 24 0.308 15.145 -2.580 1.00 0.00 C ATOM 358 C SER A 24 0.570 14.376 -3.870 1.00 0.00 C ATOM 359 O SER A 24 1.389 14.783 -4.697 1.00 0.00 O ATOM 360 CB SER A 24 1.475 16.078 -2.245 1.00 0.00 C ATOM 361 OG SER A 24 1.254 16.732 -1.005 1.00 0.00 O ATOM 0 H SER A 24 -0.798 14.300 -1.022 1.00 0.00 H new ATOM 0 HA SER A 24 -0.582 15.760 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.402 15.507 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.594 16.818 -3.036 1.00 0.00 H new ATOM 0 HG SER A 24 2.011 17.322 -0.807 1.00 0.00 H new ATOM 367 N LEU A 25 -0.161 13.265 -4.021 1.00 0.00 N ATOM 368 CA LEU A 25 0.034 12.339 -5.140 1.00 0.00 C ATOM 369 C LEU A 25 0.025 13.080 -6.474 1.00 0.00 C ATOM 370 O LEU A 25 -0.963 13.731 -6.816 1.00 0.00 O ATOM 371 CB LEU A 25 -1.067 11.267 -5.190 1.00 0.00 C ATOM 372 CG LEU A 25 -0.991 10.117 -4.168 1.00 0.00 C ATOM 373 CD1 LEU A 25 -2.042 9.078 -4.492 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.386 9.490 -4.171 1.00 0.00 C ATOM 0 H LEU A 25 -0.899 12.985 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 25 1.001 11.864 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.028 11.766 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.065 10.830 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.179 10.518 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.986 8.266 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.031 9.535 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.868 8.684 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.419 8.680 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.604 9.095 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.129 10.243 -3.910 1.00 0.00 H new ATOM 386 N PRO A 26 1.112 12.992 -7.251 1.00 0.00 N ATOM 387 CA PRO A 26 1.154 13.559 -8.597 1.00 0.00 C ATOM 388 C PRO A 26 0.242 12.787 -9.545 1.00 0.00 C ATOM 389 O PRO A 26 -0.029 11.601 -9.334 1.00 0.00 O ATOM 390 CB PRO A 26 2.623 13.412 -9.018 1.00 0.00 C ATOM 391 CG PRO A 26 3.363 13.105 -7.762 1.00 0.00 C ATOM 392 CD PRO A 26 2.391 12.356 -6.902 1.00 0.00 C ATOM 0 HA PRO A 26 0.809 14.593 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.744 12.614 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.994 14.328 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.251 12.506 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.700 14.018 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.389 11.289 -7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.621 12.460 -5.842 1.00 0.00 H new ATOM 400 N ASP A 27 -0.218 13.455 -10.592 1.00 0.00 N ATOM 401 CA ASP A 27 -1.159 12.857 -11.538 1.00 0.00 C ATOM 402 C ASP A 27 -0.528 11.697 -12.304 1.00 0.00 C ATOM 403 O ASP A 27 -1.224 10.776 -12.727 1.00 0.00 O ATOM 404 CB ASP A 27 -1.702 13.912 -12.504 1.00 0.00 C ATOM 405 CG ASP A 27 -0.608 14.681 -13.214 1.00 0.00 C ATOM 406 OD1 ASP A 27 0.002 15.571 -12.583 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.357 14.410 -14.403 1.00 0.00 O ATOM 0 H ASP A 27 0.044 14.416 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.992 12.455 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.337 13.426 -13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.332 14.611 -11.954 1.00 0.00 H new ATOM 412 N SER A 28 0.786 11.732 -12.467 1.00 0.00 N ATOM 413 CA SER A 28 1.499 10.624 -13.079 1.00 0.00 C ATOM 414 C SER A 28 1.378 9.385 -12.192 1.00 0.00 C ATOM 415 O SER A 28 1.153 8.271 -12.674 1.00 0.00 O ATOM 416 CB SER A 28 2.970 11.000 -13.284 1.00 0.00 C ATOM 417 OG SER A 28 3.669 10.014 -14.027 1.00 0.00 O ATOM 0 H SER A 28 1.378 12.514 -12.185 1.00 0.00 H new ATOM 0 HA SER A 28 1.061 10.402 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.031 11.957 -13.803 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.450 11.132 -12.314 1.00 0.00 H new ATOM 0 HG SER A 28 4.603 10.289 -14.139 1.00 0.00 H new ATOM 423 N VAL A 29 1.479 9.594 -10.886 1.00 0.00 N ATOM 424 CA VAL A 29 1.434 8.498 -9.940 1.00 0.00 C ATOM 425 C VAL A 29 0.025 7.938 -9.812 1.00 0.00 C ATOM 426 O VAL A 29 -0.156 6.735 -9.921 1.00 0.00 O ATOM 427 CB VAL A 29 1.957 8.906 -8.558 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.083 7.683 -7.666 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.290 9.621 -8.688 1.00 0.00 C ATOM 0 H VAL A 29 1.593 10.515 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 29 2.090 7.722 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 29 1.247 9.594 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.455 7.984 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.106 7.212 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.778 6.974 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.649 9.905 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.014 8.957 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.165 10.515 -9.299 1.00 0.00 H new ATOM 439 N VAL A 30 -0.972 8.806 -9.595 1.00 0.00 N ATOM 440 CA VAL A 30 -2.371 8.362 -9.525 1.00 0.00 C ATOM 441 C VAL A 30 -2.744 7.589 -10.791 1.00 0.00 C ATOM 442 O VAL A 30 -3.549 6.666 -10.750 1.00 0.00 O ATOM 443 CB VAL A 30 -3.356 9.538 -9.332 1.00 0.00 C ATOM 444 CG1 VAL A 30 -2.969 10.353 -8.114 1.00 0.00 C ATOM 445 CG2 VAL A 30 -3.431 10.426 -10.563 1.00 0.00 C ATOM 0 H VAL A 30 -0.839 9.809 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.454 7.714 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.348 9.113 -9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.671 11.178 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.995 9.718 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.963 10.750 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.135 11.239 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.445 10.840 -10.774 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.768 9.837 -11.416 1.00 0.00 H new ATOM 455 N ALA A 31 -2.114 7.956 -11.903 1.00 0.00 N ATOM 456 CA ALA A 31 -2.339 7.286 -13.180 1.00 0.00 C ATOM 457 C ALA A 31 -1.887 5.829 -13.136 1.00 0.00 C ATOM 458 O ALA A 31 -2.646 4.927 -13.498 1.00 0.00 O ATOM 459 CB ALA A 31 -1.594 8.013 -14.280 1.00 0.00 C ATOM 0 H ALA A 31 -1.439 8.719 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.410 7.304 -13.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.766 7.508 -15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.952 9.040 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.527 8.014 -14.057 1.00 0.00 H new ATOM 465 N ASP A 32 -0.651 5.596 -12.698 1.00 0.00 N ATOM 466 CA ASP A 32 -0.139 4.228 -12.579 1.00 0.00 C ATOM 467 C ASP A 32 -0.834 3.518 -11.430 1.00 0.00 C ATOM 468 O ASP A 32 -1.182 2.343 -11.519 1.00 0.00 O ATOM 469 CB ASP A 32 1.375 4.221 -12.332 1.00 0.00 C ATOM 470 CG ASP A 32 2.165 4.798 -13.485 1.00 0.00 C ATOM 471 OD1 ASP A 32 2.107 4.226 -14.595 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.860 5.818 -13.286 1.00 0.00 O ATOM 0 H ASP A 32 0.008 6.324 -12.423 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.341 3.710 -13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.593 4.791 -11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.703 3.198 -12.150 1.00 0.00 H new ATOM 477 N LEU A 33 -1.042 4.276 -10.368 1.00 0.00 N ATOM 478 CA LEU A 33 -1.753 3.835 -9.185 1.00 0.00 C ATOM 479 C LEU A 33 -3.110 3.220 -9.540 1.00 0.00 C ATOM 480 O LEU A 33 -3.407 2.093 -9.142 1.00 0.00 O ATOM 481 CB LEU A 33 -1.906 5.068 -8.273 1.00 0.00 C ATOM 482 CG LEU A 33 -2.303 4.845 -6.816 1.00 0.00 C ATOM 483 CD1 LEU A 33 -3.756 4.439 -6.714 1.00 0.00 C ATOM 484 CD2 LEU A 33 -1.383 3.827 -6.169 1.00 0.00 C ATOM 0 H LEU A 33 -0.712 5.239 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.199 3.048 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.959 5.607 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.650 5.725 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.191 5.783 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.018 4.285 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.384 5.225 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.915 3.514 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.678 3.678 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.453 2.881 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.356 4.190 -6.206 1.00 0.00 H new ATOM 496 N TYR A 34 -3.933 3.964 -10.275 1.00 0.00 N ATOM 497 CA TYR A 34 -5.270 3.493 -10.661 1.00 0.00 C ATOM 498 C TYR A 34 -5.307 2.251 -11.591 1.00 0.00 C ATOM 499 O TYR A 34 -6.382 1.931 -12.108 1.00 0.00 O ATOM 500 CB TYR A 34 -6.073 4.632 -11.298 1.00 0.00 C ATOM 501 CG TYR A 34 -6.443 5.725 -10.320 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.707 5.428 -8.990 1.00 0.00 C ATOM 503 CD2 TYR A 34 -6.514 7.054 -10.722 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.034 6.419 -8.088 1.00 0.00 C ATOM 505 CE2 TYR A 34 -6.838 8.054 -9.823 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.097 7.730 -8.507 1.00 0.00 C ATOM 507 OH TYR A 34 -7.413 8.717 -7.603 1.00 0.00 O ATOM 0 H TYR A 34 -3.702 4.896 -10.618 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.721 3.165 -9.725 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.492 5.065 -12.113 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.983 4.224 -11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.655 4.402 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.313 7.309 -11.752 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.240 6.168 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.888 9.082 -10.149 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.415 9.586 -8.055 1.00 0.00 H new ATOM 517 N ASN A 35 -4.183 1.555 -11.840 1.00 0.00 N ATOM 518 CA ASN A 35 -4.224 0.346 -12.655 1.00 0.00 C ATOM 519 C ASN A 35 -5.009 -0.737 -11.920 1.00 0.00 C ATOM 520 O ASN A 35 -4.519 -1.339 -10.963 1.00 0.00 O ATOM 521 CB ASN A 35 -2.811 -0.137 -12.993 1.00 0.00 C ATOM 522 CG ASN A 35 -2.809 -1.263 -14.011 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.733 -1.398 -14.815 1.00 0.00 O ATOM 524 ND2 ASN A 35 -1.755 -2.063 -14.006 1.00 0.00 N ATOM 0 H ASN A 35 -3.258 1.808 -11.493 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.725 0.571 -13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.228 0.699 -13.379 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.318 -0.475 -12.081 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.688 -2.823 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.009 -1.920 -13.325 1.00 0.00 H new ATOM 531 N PHE A 36 -6.235 -0.962 -12.364 1.00 0.00 N ATOM 532 CA PHE A 36 -7.175 -1.809 -11.640 1.00 0.00 C ATOM 533 C PHE A 36 -7.009 -3.279 -12.017 1.00 0.00 C ATOM 534 O PHE A 36 -7.427 -4.178 -11.282 1.00 0.00 O ATOM 535 CB PHE A 36 -8.602 -1.336 -11.933 1.00 0.00 C ATOM 536 CG PHE A 36 -9.655 -1.997 -11.092 1.00 0.00 C ATOM 537 CD1 PHE A 36 -9.869 -1.589 -9.785 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.432 -3.019 -11.607 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.839 -2.191 -9.008 1.00 0.00 C ATOM 540 CE2 PHE A 36 -11.402 -3.624 -10.834 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.608 -3.209 -9.534 1.00 0.00 C ATOM 0 H PHE A 36 -6.606 -0.568 -13.228 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.972 -1.726 -10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.654 -0.258 -11.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.825 -1.519 -12.984 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.271 -0.792 -9.370 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.278 -3.347 -12.624 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.996 -1.866 -7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.000 -4.423 -11.247 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.369 -3.680 -8.930 1.00 0.00 H new ATOM 551 N TRP A 37 -6.400 -3.521 -13.163 1.00 0.00 N ATOM 552 CA TRP A 37 -6.203 -4.876 -13.646 1.00 0.00 C ATOM 553 C TRP A 37 -4.881 -5.438 -13.157 1.00 0.00 C ATOM 554 O TRP A 37 -3.871 -4.734 -13.082 1.00 0.00 O ATOM 555 CB TRP A 37 -6.301 -4.916 -15.171 1.00 0.00 C ATOM 556 CG TRP A 37 -7.717 -4.817 -15.653 1.00 0.00 C ATOM 557 CD1 TRP A 37 -8.515 -5.849 -16.051 1.00 0.00 C ATOM 558 CD2 TRP A 37 -8.514 -3.629 -15.766 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.755 -5.378 -16.406 1.00 0.00 N ATOM 560 CE2 TRP A 37 -9.780 -4.020 -16.241 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.281 -2.277 -15.513 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -10.806 -3.108 -16.465 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.300 -1.371 -15.736 1.00 0.00 C ATOM 564 CH2 TRP A 37 -10.549 -1.790 -16.207 1.00 0.00 C ATOM 0 H TRP A 37 -6.032 -2.795 -13.778 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.994 -5.508 -13.242 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.718 -4.097 -15.592 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.859 -5.843 -15.537 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.215 -6.886 -16.082 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.532 -5.949 -16.739 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.320 -1.944 -15.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -11.771 -3.429 -16.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.130 -0.322 -15.544 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.326 -1.058 -16.370 1.00 0.00 H new ATOM 575 N LYS A 38 -4.900 -6.720 -12.832 1.00 0.00 N ATOM 576 CA LYS A 38 -3.777 -7.375 -12.186 1.00 0.00 C ATOM 577 C LYS A 38 -2.688 -7.760 -13.181 1.00 0.00 C ATOM 578 O LYS A 38 -2.439 -8.939 -13.432 1.00 0.00 O ATOM 579 CB LYS A 38 -4.240 -8.604 -11.386 1.00 0.00 C ATOM 580 CG LYS A 38 -5.319 -9.444 -12.064 1.00 0.00 C ATOM 581 CD LYS A 38 -6.715 -8.914 -11.773 1.00 0.00 C ATOM 582 CE LYS A 38 -7.794 -9.881 -12.241 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.151 -9.430 -11.833 1.00 0.00 N ATOM 0 H LYS A 38 -5.694 -7.335 -13.009 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.344 -6.654 -11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.376 -9.239 -11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.615 -8.269 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.150 -9.451 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.244 -10.476 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.822 -8.740 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.849 -7.952 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.753 -9.975 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.600 -10.871 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.860 -10.113 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.198 -9.364 -10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.346 -8.497 -12.248 1.00 0.00 H new ATOM 597 N ASP A 39 -2.072 -6.747 -13.768 1.00 0.00 N ATOM 598 CA ASP A 39 -0.876 -6.930 -14.587 1.00 0.00 C ATOM 599 C ASP A 39 0.292 -7.500 -13.766 1.00 0.00 C ATOM 600 O ASP A 39 1.154 -8.194 -14.309 1.00 0.00 O ATOM 601 CB ASP A 39 -0.471 -5.587 -15.208 1.00 0.00 C ATOM 602 CG ASP A 39 0.863 -5.639 -15.931 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.880 -5.944 -17.139 1.00 0.00 O ATOM 604 OD2 ASP A 39 1.900 -5.356 -15.296 1.00 0.00 O ATOM 0 H ASP A 39 -2.382 -5.778 -13.693 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.110 -7.648 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.244 -5.270 -15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.422 -4.832 -14.424 1.00 0.00 H new ATOM 609 N ASP A 40 0.291 -7.221 -12.454 1.00 0.00 N ATOM 610 CA ASP A 40 1.406 -7.562 -11.567 1.00 0.00 C ATOM 611 C ASP A 40 2.652 -6.805 -12.001 1.00 0.00 C ATOM 612 O ASP A 40 3.587 -7.372 -12.564 1.00 0.00 O ATOM 613 CB ASP A 40 1.674 -9.072 -11.525 1.00 0.00 C ATOM 614 CG ASP A 40 2.531 -9.481 -10.338 1.00 0.00 C ATOM 615 OD1 ASP A 40 3.696 -9.045 -10.246 1.00 0.00 O ATOM 616 OD2 ASP A 40 2.038 -10.250 -9.484 1.00 0.00 O ATOM 0 H ASP A 40 -0.483 -6.753 -11.982 1.00 0.00 H new ATOM 0 HA ASP A 40 1.133 -7.264 -10.555 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.724 -9.605 -11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.169 -9.375 -12.447 1.00 0.00 H new ATOM 621 N TYR A 41 2.627 -5.502 -11.774 1.00 0.00 N ATOM 622 CA TYR A 41 3.706 -4.628 -12.197 1.00 0.00 C ATOM 623 C TYR A 41 4.696 -4.392 -11.064 1.00 0.00 C ATOM 624 O TYR A 41 4.394 -4.660 -9.898 1.00 0.00 O ATOM 625 CB TYR A 41 3.133 -3.293 -12.698 1.00 0.00 C ATOM 626 CG TYR A 41 2.128 -2.644 -11.764 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.541 -1.942 -10.636 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.763 -2.729 -12.014 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.623 -1.342 -9.794 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.158 -2.126 -11.175 1.00 0.00 C ATOM 631 CZ TYR A 41 0.279 -1.438 -10.065 1.00 0.00 C ATOM 632 OH TYR A 41 -0.627 -0.830 -9.226 1.00 0.00 O ATOM 0 H TYR A 41 1.864 -5.024 -11.295 1.00 0.00 H new ATOM 0 HA TYR A 41 4.242 -5.113 -13.013 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.957 -2.598 -12.863 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.657 -3.457 -13.665 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.595 -1.865 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.415 -3.275 -12.878 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.962 -0.799 -8.924 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.214 -2.195 -11.390 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.536 -0.990 -9.555 1.00 0.00 H new ATOM 642 N VAL A 42 5.881 -3.909 -11.410 1.00 0.00 N ATOM 643 CA VAL A 42 6.869 -3.538 -10.416 1.00 0.00 C ATOM 644 C VAL A 42 6.655 -2.091 -9.994 1.00 0.00 C ATOM 645 O VAL A 42 6.669 -1.180 -10.824 1.00 0.00 O ATOM 646 CB VAL A 42 8.309 -3.722 -10.943 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.330 -3.346 -9.877 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.526 -5.153 -11.412 1.00 0.00 C ATOM 0 H VAL A 42 6.179 -3.766 -12.375 1.00 0.00 H new ATOM 0 HA VAL A 42 6.743 -4.197 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 42 8.448 -3.055 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.336 -3.484 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.192 -2.303 -9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.193 -3.982 -9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.546 -5.265 -11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.364 -5.837 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.824 -5.384 -12.213 1.00 0.00 H new ATOM 658 N MET A 43 6.433 -1.896 -8.708 1.00 0.00 N ATOM 659 CA MET A 43 6.184 -0.575 -8.156 1.00 0.00 C ATOM 660 C MET A 43 7.478 0.208 -8.050 1.00 0.00 C ATOM 661 O MET A 43 8.300 -0.080 -7.190 1.00 0.00 O ATOM 662 CB MET A 43 5.558 -0.704 -6.769 1.00 0.00 C ATOM 663 CG MET A 43 4.921 0.576 -6.272 1.00 0.00 C ATOM 664 SD MET A 43 3.376 0.926 -7.127 1.00 0.00 S ATOM 665 CE MET A 43 2.343 -0.401 -6.507 1.00 0.00 C ATOM 0 H MET A 43 6.420 -2.646 -8.017 1.00 0.00 H new ATOM 0 HA MET A 43 5.501 -0.045 -8.820 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.804 -1.491 -6.791 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.325 -1.018 -6.061 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.735 0.498 -5.201 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.613 1.406 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.295 -0.163 -6.692 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.600 -1.330 -7.016 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.505 -0.518 -5.435 1.00 0.00 H new ATOM 675 N THR A 44 7.693 1.162 -8.939 1.00 0.00 N ATOM 676 CA THR A 44 8.905 1.950 -8.868 1.00 0.00 C ATOM 677 C THR A 44 8.646 3.399 -8.441 1.00 0.00 C ATOM 678 O THR A 44 9.585 4.167 -8.241 1.00 0.00 O ATOM 679 CB THR A 44 9.661 1.917 -10.210 1.00 0.00 C ATOM 680 OG1 THR A 44 8.750 2.171 -11.288 1.00 0.00 O ATOM 681 CG2 THR A 44 10.340 0.567 -10.423 1.00 0.00 C ATOM 0 H THR A 44 7.059 1.404 -9.701 1.00 0.00 H new ATOM 0 HA THR A 44 9.525 1.494 -8.097 1.00 0.00 H new ATOM 0 HB THR A 44 10.429 2.690 -10.187 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.236 2.151 -12.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.866 0.571 -11.378 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.051 0.386 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.588 -0.222 -10.427 1.00 0.00 H new ATOM 689 N ASP A 45 7.380 3.779 -8.289 1.00 0.00 N ATOM 690 CA ASP A 45 7.052 5.134 -7.845 1.00 0.00 C ATOM 691 C ASP A 45 6.810 5.157 -6.345 1.00 0.00 C ATOM 692 O ASP A 45 6.039 4.354 -5.809 1.00 0.00 O ATOM 693 CB ASP A 45 5.836 5.685 -8.585 1.00 0.00 C ATOM 694 CG ASP A 45 5.724 7.190 -8.434 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.499 7.664 -7.298 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.895 7.904 -9.446 1.00 0.00 O ATOM 0 H ASP A 45 6.574 3.179 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 45 7.903 5.774 -8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.906 5.429 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.932 5.212 -8.202 1.00 0.00 H new ATOM 701 N ARG A 46 7.448 6.111 -5.676 1.00 0.00 N ATOM 702 CA ARG A 46 7.466 6.151 -4.220 1.00 0.00 C ATOM 703 C ARG A 46 6.106 6.583 -3.670 1.00 0.00 C ATOM 704 O ARG A 46 5.738 6.225 -2.546 1.00 0.00 O ATOM 705 CB ARG A 46 8.591 7.074 -3.689 1.00 0.00 C ATOM 706 CG ARG A 46 10.009 6.574 -3.955 1.00 0.00 C ATOM 707 CD ARG A 46 10.378 6.596 -5.430 1.00 0.00 C ATOM 708 NE ARG A 46 11.720 6.061 -5.651 1.00 0.00 N ATOM 709 CZ ARG A 46 12.264 5.858 -6.848 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.621 6.216 -7.948 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.467 5.309 -6.941 1.00 0.00 N ATOM 0 H ARG A 46 7.962 6.870 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 46 7.674 5.141 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.477 8.059 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.461 7.200 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.716 7.190 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.107 5.557 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.653 6.011 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.326 7.618 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 46 12.278 5.827 -4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.701 6.651 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.046 6.057 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.973 5.043 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.887 5.152 -7.857 1.00 0.00 H new ATOM 725 N LEU A 47 5.328 7.299 -4.482 1.00 0.00 N ATOM 726 CA LEU A 47 4.047 7.804 -4.032 1.00 0.00 C ATOM 727 C LEU A 47 3.017 6.691 -4.051 1.00 0.00 C ATOM 728 O LEU A 47 1.987 6.767 -3.380 1.00 0.00 O ATOM 729 CB LEU A 47 3.572 8.983 -4.898 1.00 0.00 C ATOM 730 CG LEU A 47 4.112 10.356 -4.512 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.845 10.624 -3.045 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.593 10.462 -4.831 1.00 0.00 C ATOM 0 H LEU A 47 5.566 7.537 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 47 4.166 8.168 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.850 8.783 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.483 9.019 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 47 3.595 11.115 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.234 11.607 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.771 10.596 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.337 9.862 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.957 11.450 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.140 9.701 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.747 10.312 -5.900 1.00 0.00 H new ATOM 744 N ALA A 48 3.320 5.630 -4.787 1.00 0.00 N ATOM 745 CA ALA A 48 2.376 4.555 -4.962 1.00 0.00 C ATOM 746 C ALA A 48 2.500 3.597 -3.800 1.00 0.00 C ATOM 747 O ALA A 48 1.520 3.301 -3.121 1.00 0.00 O ATOM 748 CB ALA A 48 2.612 3.860 -6.280 1.00 0.00 C ATOM 0 H ALA A 48 4.210 5.499 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 48 1.361 4.951 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.892 3.050 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.492 4.574 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.623 3.452 -6.301 1.00 0.00 H new ATOM 754 N GLY A 49 3.721 3.105 -3.602 1.00 0.00 N ATOM 755 CA GLY A 49 4.065 2.421 -2.363 1.00 0.00 C ATOM 756 C GLY A 49 3.462 3.063 -1.111 1.00 0.00 C ATOM 757 O GLY A 49 2.878 2.360 -0.286 1.00 0.00 O ATOM 0 H GLY A 49 4.481 3.167 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.729 1.386 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.150 2.399 -2.261 1.00 0.00 H new ATOM 761 N CYS A 50 3.588 4.389 -0.957 1.00 0.00 N ATOM 762 CA CYS A 50 2.985 5.078 0.182 1.00 0.00 C ATOM 763 C CYS A 50 1.453 4.984 0.155 1.00 0.00 C ATOM 764 O CYS A 50 0.818 4.743 1.186 1.00 0.00 O ATOM 765 CB CYS A 50 3.420 6.549 0.212 1.00 0.00 C ATOM 766 SG CYS A 50 5.055 6.863 0.975 1.00 0.00 S ATOM 0 H CYS A 50 4.096 4.995 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 50 3.336 4.582 1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.435 6.928 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.668 7.123 0.754 1.00 0.00 H new ATOM 771 N ALA A 51 0.864 5.150 -1.027 1.00 0.00 N ATOM 772 CA ALA A 51 -0.593 5.158 -1.171 1.00 0.00 C ATOM 773 C ALA A 51 -1.214 3.803 -0.840 1.00 0.00 C ATOM 774 O ALA A 51 -2.394 3.719 -0.502 1.00 0.00 O ATOM 775 CB ALA A 51 -0.980 5.580 -2.580 1.00 0.00 C ATOM 0 H ALA A 51 1.373 5.281 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.985 5.880 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.066 5.582 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.597 6.581 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.555 4.880 -3.299 1.00 0.00 H new ATOM 781 N ILE A 52 -0.418 2.746 -0.934 1.00 0.00 N ATOM 782 CA ILE A 52 -0.898 1.396 -0.655 1.00 0.00 C ATOM 783 C ILE A 52 -1.327 1.248 0.809 1.00 0.00 C ATOM 784 O ILE A 52 -2.234 0.478 1.129 1.00 0.00 O ATOM 785 CB ILE A 52 0.186 0.338 -0.985 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.582 0.414 -2.464 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.292 -1.068 -0.636 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.572 0.193 -3.422 1.00 0.00 C ATOM 0 H ILE A 52 0.565 2.796 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.765 1.227 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 52 1.063 0.559 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.023 1.391 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.353 -0.330 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.489 -1.789 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.517 -1.122 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.190 -1.300 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.211 0.262 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.000 -0.795 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.335 0.953 -3.254 1.00 0.00 H new ATOM 800 N ASN A 53 -0.695 2.010 1.690 1.00 0.00 N ATOM 801 CA ASN A 53 -0.929 1.861 3.121 1.00 0.00 C ATOM 802 C ASN A 53 -1.084 3.219 3.804 1.00 0.00 C ATOM 803 O ASN A 53 -0.557 3.443 4.887 1.00 0.00 O ATOM 804 CB ASN A 53 0.222 1.064 3.755 1.00 0.00 C ATOM 805 CG ASN A 53 1.588 1.699 3.535 1.00 0.00 C ATOM 806 OD1 ASN A 53 2.072 2.471 4.361 1.00 0.00 O ATOM 807 ND2 ASN A 53 2.222 1.373 2.417 1.00 0.00 N ATOM 0 H ASN A 53 -0.020 2.734 1.442 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.862 1.315 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.042 0.969 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.227 0.055 3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.142 1.766 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.789 0.729 1.755 1.00 0.00 H new ATOM 814 N CYS A 54 -1.850 4.110 3.192 1.00 0.00 N ATOM 815 CA CYS A 54 -2.022 5.453 3.738 1.00 0.00 C ATOM 816 C CYS A 54 -3.272 5.563 4.622 1.00 0.00 C ATOM 817 O CYS A 54 -3.250 6.246 5.644 1.00 0.00 O ATOM 818 CB CYS A 54 -2.099 6.474 2.601 1.00 0.00 C ATOM 819 SG CYS A 54 -3.426 6.132 1.400 1.00 0.00 S ATOM 0 H CYS A 54 -2.359 3.933 2.326 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.156 5.663 4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.252 7.466 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.143 6.495 2.077 1.00 0.00 H new ATOM 824 N LEU A 55 -4.342 4.858 4.244 1.00 0.00 N ATOM 825 CA LEU A 55 -5.662 5.032 4.877 1.00 0.00 C ATOM 826 C LEU A 55 -5.619 4.816 6.391 1.00 0.00 C ATOM 827 O LEU A 55 -5.733 5.764 7.179 1.00 0.00 O ATOM 828 CB LEU A 55 -6.707 4.077 4.272 1.00 0.00 C ATOM 829 CG LEU A 55 -7.286 4.466 2.903 1.00 0.00 C ATOM 830 CD1 LEU A 55 -6.268 4.250 1.794 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.550 3.669 2.624 1.00 0.00 C ATOM 0 H LEU A 55 -4.325 4.159 3.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.949 6.065 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.254 3.090 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.533 3.985 4.977 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.534 5.527 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.706 4.534 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.386 4.862 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.980 3.199 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.952 3.953 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.316 2.604 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.290 3.878 3.397 1.00 0.00 H new ATOM 843 N ALA A 56 -5.412 3.575 6.799 1.00 0.00 N ATOM 844 CA ALA A 56 -5.545 3.215 8.202 1.00 0.00 C ATOM 845 C ALA A 56 -4.285 3.568 8.970 1.00 0.00 C ATOM 846 O ALA A 56 -4.256 3.519 10.199 1.00 0.00 O ATOM 847 CB ALA A 56 -5.860 1.737 8.338 1.00 0.00 C ATOM 0 H ALA A 56 -5.153 2.804 6.184 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.370 3.786 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.957 1.481 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.795 1.515 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.055 1.151 7.895 1.00 0.00 H new ATOM 853 N THR A 57 -3.254 3.952 8.236 1.00 0.00 N ATOM 854 CA THR A 57 -2.019 4.384 8.845 1.00 0.00 C ATOM 855 C THR A 57 -2.136 5.836 9.309 1.00 0.00 C ATOM 856 O THR A 57 -1.590 6.215 10.345 1.00 0.00 O ATOM 857 CB THR A 57 -0.829 4.207 7.884 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.760 2.846 7.443 1.00 0.00 O ATOM 859 CG2 THR A 57 0.464 4.589 8.561 1.00 0.00 C ATOM 0 H THR A 57 -3.253 3.971 7.216 1.00 0.00 H new ATOM 0 HA THR A 57 -1.832 3.756 9.716 1.00 0.00 H new ATOM 0 HB THR A 57 -0.978 4.861 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.427 2.817 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.292 4.457 7.865 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.416 5.632 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.619 3.955 9.434 1.00 0.00 H new ATOM 867 N LYS A 58 -2.870 6.646 8.551 1.00 0.00 N ATOM 868 CA LYS A 58 -3.152 8.010 8.974 1.00 0.00 C ATOM 869 C LYS A 58 -4.249 8.022 10.033 1.00 0.00 C ATOM 870 O LYS A 58 -4.369 8.984 10.788 1.00 0.00 O ATOM 871 CB LYS A 58 -3.562 8.890 7.783 1.00 0.00 C ATOM 872 CG LYS A 58 -2.486 9.077 6.711 1.00 0.00 C ATOM 873 CD LYS A 58 -1.471 10.174 7.052 1.00 0.00 C ATOM 874 CE LYS A 58 -2.147 11.425 7.599 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.179 12.534 7.827 1.00 0.00 N ATOM 0 H LYS A 58 -3.275 6.384 7.652 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.238 8.421 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.445 8.454 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.852 9.871 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.957 8.134 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.966 9.319 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.760 9.795 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.901 10.431 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.917 11.755 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.649 11.184 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.088 12.711 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.252 12.271 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.521 13.396 7.356 1.00 0.00 H new ATOM 889 N LEU A 59 -5.059 6.963 10.081 1.00 0.00 N ATOM 890 CA LEU A 59 -6.049 6.825 11.141 1.00 0.00 C ATOM 891 C LEU A 59 -5.370 6.667 12.501 1.00 0.00 C ATOM 892 O LEU A 59 -5.477 7.552 13.356 1.00 0.00 O ATOM 893 CB LEU A 59 -6.970 5.640 10.876 1.00 0.00 C ATOM 894 CG LEU A 59 -7.830 5.736 9.613 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.017 4.811 9.743 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.297 7.164 9.358 1.00 0.00 C ATOM 0 H LEU A 59 -5.047 6.199 9.405 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.650 7.734 11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.361 4.738 10.811 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.630 5.518 11.734 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.221 5.436 8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.631 4.878 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.668 3.786 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.611 5.100 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.904 7.192 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.890 7.509 10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.430 7.813 9.233 1.00 0.00 H new ATOM 908 N ASP A 60 -4.654 5.555 12.693 1.00 0.00 N ATOM 909 CA ASP A 60 -3.978 5.281 13.966 1.00 0.00 C ATOM 910 C ASP A 60 -3.164 3.998 13.871 1.00 0.00 C ATOM 911 O ASP A 60 -3.725 2.927 13.625 1.00 0.00 O ATOM 912 CB ASP A 60 -4.985 5.156 15.115 1.00 0.00 C ATOM 913 CG ASP A 60 -4.305 5.083 16.468 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.889 3.981 16.880 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.164 6.137 17.121 1.00 0.00 O ATOM 0 H ASP A 60 -4.527 4.831 11.985 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.314 6.121 14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.662 6.010 15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.593 4.263 14.967 1.00 0.00 H new ATOM 920 N VAL A 61 -1.853 4.103 14.076 1.00 0.00 N ATOM 921 CA VAL A 61 -0.969 2.945 13.952 1.00 0.00 C ATOM 922 C VAL A 61 0.489 3.322 14.277 1.00 0.00 C ATOM 923 O VAL A 61 1.439 2.761 13.728 1.00 0.00 O ATOM 924 CB VAL A 61 -1.060 2.375 12.513 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.474 3.353 11.515 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.386 1.020 12.397 1.00 0.00 C ATOM 0 H VAL A 61 -1.381 4.972 14.327 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.289 2.188 14.668 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.116 2.232 12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.547 2.936 10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.026 4.292 11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.573 3.536 11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.473 0.657 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.667 1.114 12.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.868 0.315 13.074 1.00 0.00 H new ATOM 936 N VAL A 62 0.687 4.243 15.206 1.00 0.00 N ATOM 937 CA VAL A 62 2.032 4.732 15.461 1.00 0.00 C ATOM 938 C VAL A 62 2.623 4.100 16.730 1.00 0.00 C ATOM 939 O VAL A 62 2.063 4.207 17.822 1.00 0.00 O ATOM 940 CB VAL A 62 2.096 6.289 15.500 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.271 6.884 14.371 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.664 6.866 16.842 1.00 0.00 C ATOM 0 H VAL A 62 -0.045 4.658 15.783 1.00 0.00 H new ATOM 0 HA VAL A 62 2.653 4.420 14.621 1.00 0.00 H new ATOM 0 HB VAL A 62 3.142 6.564 15.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.327 7.972 14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.661 6.538 13.414 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.232 6.570 14.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.730 7.954 16.809 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.636 6.571 17.051 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.317 6.487 17.628 1.00 0.00 H new ATOM 952 N ASP A 63 3.732 3.373 16.559 1.00 0.00 N ATOM 953 CA ASP A 63 4.417 2.729 17.680 1.00 0.00 C ATOM 954 C ASP A 63 5.041 3.748 18.643 1.00 0.00 C ATOM 955 O ASP A 63 4.740 3.730 19.836 1.00 0.00 O ATOM 956 CB ASP A 63 5.506 1.773 17.170 1.00 0.00 C ATOM 957 CG ASP A 63 5.703 0.582 18.082 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.962 -0.405 17.939 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.606 0.630 18.941 1.00 0.00 O ATOM 0 H ASP A 63 4.173 3.217 15.653 1.00 0.00 H new ATOM 0 HA ASP A 63 3.662 2.167 18.229 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.240 1.423 16.173 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.447 2.315 17.077 1.00 0.00 H new ATOM 964 N PRO A 64 5.914 4.657 18.155 1.00 0.00 N ATOM 965 CA PRO A 64 6.690 5.548 19.006 1.00 0.00 C ATOM 966 C PRO A 64 6.030 6.917 19.192 1.00 0.00 C ATOM 967 O PRO A 64 4.811 7.021 19.341 1.00 0.00 O ATOM 968 CB PRO A 64 8.007 5.686 18.217 1.00 0.00 C ATOM 969 CG PRO A 64 7.748 5.071 16.870 1.00 0.00 C ATOM 970 CD PRO A 64 6.260 4.914 16.761 1.00 0.00 C ATOM 0 HA PRO A 64 6.804 5.162 20.019 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.296 6.733 18.119 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.824 5.176 18.728 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.132 5.706 16.072 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.249 4.107 16.779 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.776 5.810 16.373 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.977 4.090 16.106 1.00 0.00 H new ATOM 978 N ASP A 65 6.854 7.962 19.171 1.00 0.00 N ATOM 979 CA ASP A 65 6.410 9.340 19.413 1.00 0.00 C ATOM 980 C ASP A 65 5.682 9.942 18.211 1.00 0.00 C ATOM 981 O ASP A 65 5.425 11.144 18.175 1.00 0.00 O ATOM 982 CB ASP A 65 7.615 10.223 19.755 1.00 0.00 C ATOM 983 CG ASP A 65 8.133 9.999 21.160 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.932 9.063 21.360 1.00 0.00 O ATOM 985 OD2 ASP A 65 7.757 10.770 22.072 1.00 0.00 O ATOM 0 H ASP A 65 7.854 7.880 18.985 1.00 0.00 H new ATOM 0 HA ASP A 65 5.709 9.304 20.247 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.416 10.026 19.043 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.336 11.270 19.639 1.00 0.00 H new ATOM 990 N GLY A 66 5.347 9.116 17.236 1.00 0.00 N ATOM 991 CA GLY A 66 4.746 9.619 16.017 1.00 0.00 C ATOM 992 C GLY A 66 5.358 8.977 14.790 1.00 0.00 C ATOM 993 O GLY A 66 4.769 8.088 14.170 1.00 0.00 O ATOM 0 H GLY A 66 5.479 8.105 17.264 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.673 9.426 16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.875 10.700 15.966 1.00 0.00 H new ATOM 997 N ASN A 67 6.561 9.419 14.469 1.00 0.00 N ATOM 998 CA ASN A 67 7.315 8.912 13.327 1.00 0.00 C ATOM 999 C ASN A 67 7.897 7.533 13.620 1.00 0.00 C ATOM 1000 O ASN A 67 8.028 7.147 14.778 1.00 0.00 O ATOM 1001 CB ASN A 67 8.447 9.889 12.994 1.00 0.00 C ATOM 1002 CG ASN A 67 9.191 10.346 14.238 1.00 0.00 C ATOM 1003 OD1 ASN A 67 8.816 11.334 14.866 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.244 9.635 14.612 1.00 0.00 N ATOM 0 H ASN A 67 7.049 10.145 14.994 1.00 0.00 H new ATOM 0 HA ASN A 67 6.638 8.821 12.478 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.147 9.412 12.308 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.036 10.757 12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.770 9.902 15.444 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.529 8.820 14.068 1.00 0.00 H new ATOM 1011 N LEU A 68 8.224 6.798 12.556 1.00 0.00 N ATOM 1012 CA LEU A 68 8.908 5.503 12.663 1.00 0.00 C ATOM 1013 C LEU A 68 8.009 4.431 13.275 1.00 0.00 C ATOM 1014 O LEU A 68 8.444 3.627 14.099 1.00 0.00 O ATOM 1015 CB LEU A 68 10.216 5.634 13.457 1.00 0.00 C ATOM 1016 CG LEU A 68 11.437 6.075 12.639 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.749 5.051 11.561 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.215 7.445 12.017 1.00 0.00 C ATOM 0 H LEU A 68 8.024 7.081 11.597 1.00 0.00 H new ATOM 0 HA LEU A 68 9.151 5.185 11.649 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.062 6.350 14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.438 4.673 13.921 1.00 0.00 H new ATOM 0 HG LEU A 68 12.288 6.145 13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.617 5.378 10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.961 4.088 12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.892 4.952 10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.097 7.731 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.349 7.409 11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.041 8.178 12.804 1.00 0.00 H new ATOM 1030 N HIS A 69 6.762 4.401 12.836 1.00 0.00 N ATOM 1031 CA HIS A 69 5.813 3.401 13.305 1.00 0.00 C ATOM 1032 C HIS A 69 5.970 2.100 12.523 1.00 0.00 C ATOM 1033 O HIS A 69 5.186 1.790 11.630 1.00 0.00 O ATOM 1034 CB HIS A 69 4.370 3.922 13.220 1.00 0.00 C ATOM 1035 CG HIS A 69 4.049 4.686 11.964 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.899 4.092 10.730 1.00 0.00 N ATOM 1037 CD2 HIS A 69 3.849 6.011 11.766 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.623 5.018 9.830 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.586 6.191 10.434 1.00 0.00 N ATOM 0 H HIS A 69 6.381 5.058 12.155 1.00 0.00 H new ATOM 0 HA HIS A 69 6.030 3.197 14.353 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.688 3.076 13.298 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.180 4.566 14.079 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.987 3.094 10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.889 6.783 12.520 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.456 4.845 8.777 1.00 0.00 H new ATOM 1048 N HIS A 70 7.019 1.365 12.856 1.00 0.00 N ATOM 1049 CA HIS A 70 7.360 0.128 12.165 1.00 0.00 C ATOM 1050 C HIS A 70 6.628 -1.079 12.763 1.00 0.00 C ATOM 1051 O HIS A 70 5.816 -1.722 12.089 1.00 0.00 O ATOM 1052 CB HIS A 70 8.883 -0.051 12.226 1.00 0.00 C ATOM 1053 CG HIS A 70 9.381 -1.413 11.855 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.438 -1.880 10.564 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.873 -2.396 12.635 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.944 -3.101 10.566 1.00 0.00 C ATOM 1057 NE2 HIS A 70 10.220 -3.439 11.813 1.00 0.00 N ATOM 0 H HIS A 70 7.659 1.607 13.612 1.00 0.00 H new ATOM 0 HA HIS A 70 7.037 0.191 11.126 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.345 0.680 11.563 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.219 0.178 13.237 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.975 -2.368 13.710 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.105 -3.719 9.695 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.623 -4.326 12.114 1.00 0.00 H new ATOM 1066 N GLY A 71 6.899 -1.357 14.036 1.00 0.00 N ATOM 1067 CA GLY A 71 6.320 -2.519 14.702 1.00 0.00 C ATOM 1068 C GLY A 71 4.812 -2.492 14.709 1.00 0.00 C ATOM 1069 O GLY A 71 4.163 -3.449 14.282 1.00 0.00 O ATOM 0 H GLY A 71 7.514 -0.795 14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.661 -3.426 14.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.684 -2.563 15.729 1.00 0.00 H new ATOM 1073 N ASN A 72 4.262 -1.387 15.183 1.00 0.00 N ATOM 1074 CA ASN A 72 2.812 -1.216 15.272 1.00 0.00 C ATOM 1075 C ASN A 72 2.138 -1.395 13.906 1.00 0.00 C ATOM 1076 O ASN A 72 1.047 -1.947 13.825 1.00 0.00 O ATOM 1077 CB ASN A 72 2.481 0.164 15.861 1.00 0.00 C ATOM 1078 CG ASN A 72 1.049 0.281 16.365 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.110 -0.232 15.759 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.878 0.939 17.502 1.00 0.00 N ATOM 0 H ASN A 72 4.798 -0.586 15.516 1.00 0.00 H new ATOM 0 HA ASN A 72 2.421 -1.989 15.933 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.165 0.373 16.683 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.654 0.926 15.101 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.056 1.033 17.902 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.680 1.352 17.978 1.00 0.00 H new ATOM 1087 N ALA A 73 2.803 -0.977 12.831 1.00 0.00 N ATOM 1088 CA ALA A 73 2.219 -1.078 11.495 1.00 0.00 C ATOM 1089 C ALA A 73 2.135 -2.532 11.037 1.00 0.00 C ATOM 1090 O ALA A 73 1.168 -2.943 10.382 1.00 0.00 O ATOM 1091 CB ALA A 73 3.025 -0.256 10.500 1.00 0.00 C ATOM 0 H ALA A 73 3.737 -0.569 12.857 1.00 0.00 H new ATOM 0 HA ALA A 73 1.205 -0.680 11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.577 -0.342 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.026 0.789 10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.050 -0.626 10.468 1.00 0.00 H new ATOM 1097 N LYS A 74 3.129 -3.325 11.404 1.00 0.00 N ATOM 1098 CA LYS A 74 3.145 -4.726 11.004 1.00 0.00 C ATOM 1099 C LYS A 74 2.222 -5.520 11.919 1.00 0.00 C ATOM 1100 O LYS A 74 1.542 -6.455 11.489 1.00 0.00 O ATOM 1101 CB LYS A 74 4.560 -5.303 11.039 1.00 0.00 C ATOM 1102 CG LYS A 74 5.602 -4.437 10.341 1.00 0.00 C ATOM 1103 CD LYS A 74 5.066 -3.739 9.094 1.00 0.00 C ATOM 1104 CE LYS A 74 4.770 -4.708 7.964 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.163 -4.009 6.801 1.00 0.00 N ATOM 0 H LYS A 74 3.925 -3.030 11.970 1.00 0.00 H new ATOM 0 HA LYS A 74 2.791 -4.798 9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.858 -5.444 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.551 -6.288 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.968 -3.686 11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.454 -5.058 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.156 -3.196 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.793 -3.002 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.691 -5.202 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.094 -5.487 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.972 -4.696 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.272 -3.558 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.820 -3.283 6.451 1.00 0.00 H new ATOM 1119 N ASP A 75 2.186 -5.114 13.181 1.00 0.00 N ATOM 1120 CA ASP A 75 1.250 -5.673 14.149 1.00 0.00 C ATOM 1121 C ASP A 75 -0.180 -5.341 13.731 1.00 0.00 C ATOM 1122 O ASP A 75 -1.099 -6.142 13.904 1.00 0.00 O ATOM 1123 CB ASP A 75 1.543 -5.112 15.544 1.00 0.00 C ATOM 1124 CG ASP A 75 0.608 -5.651 16.603 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.743 -6.833 16.974 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.255 -4.887 17.090 1.00 0.00 O ATOM 0 H ASP A 75 2.800 -4.393 13.561 1.00 0.00 H new ATOM 0 HA ASP A 75 1.366 -6.756 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.571 -5.351 15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.465 -4.025 15.517 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.347 -4.153 13.158 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.629 -3.713 12.629 1.00 0.00 C ATOM 1133 C PHE A 76 -2.082 -4.629 11.497 1.00 0.00 C ATOM 1134 O PHE A 76 -3.269 -4.903 11.357 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.525 -2.268 12.137 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.843 -1.631 11.793 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.617 -1.041 12.779 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.304 -1.616 10.486 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -4.825 -0.447 12.469 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.511 -1.024 10.171 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.273 -0.439 11.163 1.00 0.00 C ATOM 0 H PHE A 76 0.403 -3.471 13.048 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.371 -3.760 13.426 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.036 -1.670 12.906 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.883 -2.242 11.257 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.272 -1.046 13.802 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.713 -2.072 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.418 0.010 13.247 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.859 -1.018 9.149 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.217 0.024 10.918 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.130 -5.120 10.706 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.447 -6.061 9.633 1.00 0.00 C ATOM 1153 C ALA A 77 -1.877 -7.408 10.202 1.00 0.00 C ATOM 1154 O ALA A 77 -2.715 -8.097 9.621 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.248 -6.258 8.722 1.00 0.00 C ATOM 0 H ALA A 77 -0.141 -4.885 10.786 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.271 -5.640 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.504 -6.962 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.035 -5.302 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.588 -6.652 9.301 1.00 0.00 H new ATOM 1161 N MET A 78 -1.299 -7.777 11.337 1.00 0.00 N ATOM 1162 CA MET A 78 -1.646 -9.037 11.993 1.00 0.00 C ATOM 1163 C MET A 78 -3.068 -9.012 12.542 1.00 0.00 C ATOM 1164 O MET A 78 -3.781 -10.014 12.475 1.00 0.00 O ATOM 1165 CB MET A 78 -0.668 -9.356 13.130 1.00 0.00 C ATOM 1166 CG MET A 78 0.764 -9.576 12.678 1.00 0.00 C ATOM 1167 SD MET A 78 1.861 -9.996 14.047 1.00 0.00 S ATOM 1168 CE MET A 78 3.441 -10.090 13.208 1.00 0.00 C ATOM 0 H MET A 78 -0.591 -7.227 11.823 1.00 0.00 H new ATOM 0 HA MET A 78 -1.579 -9.816 11.234 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.688 -8.539 13.851 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.014 -10.249 13.651 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.789 -10.375 11.937 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.130 -8.674 12.187 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.220 -10.342 13.927 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.398 -10.858 12.436 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.668 -9.127 12.750 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.485 -7.883 13.094 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.819 -7.783 13.661 1.00 0.00 C ATOM 1180 C LYS A 79 -5.814 -7.238 12.640 1.00 0.00 C ATOM 1181 O LYS A 79 -7.012 -7.159 12.910 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.798 -6.942 14.941 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.098 -5.602 14.796 1.00 0.00 C ATOM 1184 CD LYS A 79 -3.733 -5.027 16.153 1.00 0.00 C ATOM 1185 CE LYS A 79 -3.015 -3.697 16.020 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.384 -3.283 17.300 1.00 0.00 N ATOM 0 H LYS A 79 -2.926 -7.033 13.161 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.154 -8.785 13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.824 -6.770 15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.306 -7.513 15.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.197 -5.722 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.746 -4.905 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.637 -4.896 16.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.098 -5.732 16.689 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.252 -3.771 15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.722 -2.932 15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.976 -2.332 17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.102 -3.270 18.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.632 -3.957 17.550 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.314 -6.833 11.475 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.182 -6.378 10.390 1.00 0.00 C ATOM 1202 C HIS A 80 -5.733 -6.964 9.058 1.00 0.00 C ATOM 1203 O HIS A 80 -4.904 -6.378 8.363 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.198 -4.846 10.281 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.610 -4.151 11.535 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -7.890 -3.702 11.776 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -5.891 -3.834 12.630 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -7.936 -3.143 12.971 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -6.733 -3.214 13.507 1.00 0.00 N ATOM 0 H HIS A 80 -4.318 -6.810 11.258 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.189 -6.724 10.623 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.203 -4.502 9.998 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -6.876 -4.557 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.841 -4.034 12.785 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.809 -2.703 13.431 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.474 -2.862 14.429 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.246 -8.138 8.720 1.00 0.00 N ATOM 1219 CA GLY A 81 -5.996 -8.694 7.409 1.00 0.00 C ATOM 1220 C GLY A 81 -5.341 -10.052 7.465 1.00 0.00 C ATOM 1221 O GLY A 81 -5.993 -11.076 7.246 1.00 0.00 O ATOM 0 H GLY A 81 -6.829 -8.713 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.938 -8.772 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.360 -8.012 6.845 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.058 -10.071 7.777 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.291 -11.302 7.746 1.00 0.00 C ATOM 1227 C ALA A 82 -3.136 -11.889 9.132 1.00 0.00 C ATOM 1228 O ALA A 82 -2.797 -11.187 10.079 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.920 -11.069 7.140 1.00 0.00 C ATOM 0 H ALA A 82 -3.525 -9.247 8.055 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.841 -12.010 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.364 -12.006 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.031 -10.699 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.379 -10.334 7.736 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.389 -13.179 9.249 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.135 -13.881 10.493 1.00 0.00 C ATOM 1237 C ASP A 83 -1.664 -14.187 10.596 1.00 0.00 C ATOM 1238 O ASP A 83 -0.916 -13.979 9.631 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.973 -15.150 10.626 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.880 -16.072 9.429 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -4.373 -15.698 8.345 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -3.327 -17.181 9.574 1.00 0.00 O ATOM 0 H ASP A 83 -3.768 -13.760 8.501 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.432 -13.234 11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.655 -15.693 11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.016 -14.871 10.778 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.247 -14.687 11.746 1.00 0.00 N ATOM 1248 CA GLU A 84 0.139 -14.715 12.085 1.00 0.00 C ATOM 1249 C GLU A 84 0.982 -15.430 11.040 1.00 0.00 C ATOM 1250 O GLU A 84 2.021 -14.924 10.648 1.00 0.00 O ATOM 1251 CB GLU A 84 0.354 -15.364 13.449 1.00 0.00 C ATOM 1252 CG GLU A 84 0.325 -14.394 14.617 1.00 0.00 C ATOM 1253 CD GLU A 84 0.850 -15.034 15.879 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.957 -15.611 15.834 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.158 -14.980 16.913 1.00 0.00 O ATOM 0 H GLU A 84 -1.865 -15.079 12.457 1.00 0.00 H new ATOM 0 HA GLU A 84 0.467 -13.676 12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.415 -16.122 13.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.314 -15.880 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.924 -13.515 14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.696 -14.049 14.780 1.00 0.00 H new ATOM 1262 N THR A 85 0.529 -16.590 10.581 1.00 0.00 N ATOM 1263 CA THR A 85 1.303 -17.383 9.632 1.00 0.00 C ATOM 1264 C THR A 85 1.705 -16.562 8.394 1.00 0.00 C ATOM 1265 O THR A 85 2.847 -16.636 7.957 1.00 0.00 O ATOM 1266 CB THR A 85 0.558 -18.671 9.205 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.391 -19.476 8.361 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.730 -18.347 8.475 1.00 0.00 C ATOM 0 H THR A 85 -0.365 -17.002 10.848 1.00 0.00 H new ATOM 0 HA THR A 85 2.213 -17.680 10.153 1.00 0.00 H new ATOM 0 HB THR A 85 0.315 -19.224 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.906 -20.287 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.229 -19.273 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.384 -17.770 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.505 -17.765 7.581 1.00 0.00 H new ATOM 1276 N MET A 86 0.800 -15.723 7.874 1.00 0.00 N ATOM 1277 CA MET A 86 1.066 -15.002 6.637 1.00 0.00 C ATOM 1278 C MET A 86 1.891 -13.772 6.932 1.00 0.00 C ATOM 1279 O MET A 86 2.792 -13.413 6.173 1.00 0.00 O ATOM 1280 CB MET A 86 -0.238 -14.636 5.929 1.00 0.00 C ATOM 1281 CG MET A 86 -1.128 -15.838 5.694 1.00 0.00 C ATOM 1282 SD MET A 86 -2.557 -15.480 4.651 1.00 0.00 S ATOM 1283 CE MET A 86 -3.427 -14.274 5.647 1.00 0.00 C ATOM 0 H MET A 86 -0.111 -15.532 8.290 1.00 0.00 H new ATOM 0 HA MET A 86 1.632 -15.648 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.777 -13.900 6.525 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.009 -14.165 4.973 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.540 -16.631 5.232 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.475 -16.217 6.655 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.490 -14.515 5.664 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.035 -14.291 6.664 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.287 -13.281 5.221 1.00 0.00 H new ATOM 1293 N ALA A 87 1.585 -13.137 8.049 1.00 0.00 N ATOM 1294 CA ALA A 87 2.398 -12.045 8.543 1.00 0.00 C ATOM 1295 C ALA A 87 3.819 -12.542 8.768 1.00 0.00 C ATOM 1296 O ALA A 87 4.785 -11.852 8.466 1.00 0.00 O ATOM 1297 CB ALA A 87 1.805 -11.505 9.831 1.00 0.00 C ATOM 0 H ALA A 87 0.778 -13.361 8.631 1.00 0.00 H new ATOM 0 HA ALA A 87 2.419 -11.237 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.420 -10.684 10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.794 -11.145 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.775 -12.298 10.578 1.00 0.00 H new ATOM 1303 N GLN A 88 3.928 -13.777 9.245 1.00 0.00 N ATOM 1304 CA GLN A 88 5.221 -14.389 9.534 1.00 0.00 C ATOM 1305 C GLN A 88 5.944 -14.774 8.246 1.00 0.00 C ATOM 1306 O GLN A 88 7.172 -14.854 8.221 1.00 0.00 O ATOM 1307 CB GLN A 88 5.045 -15.609 10.441 1.00 0.00 C ATOM 1308 CG GLN A 88 5.344 -15.327 11.909 1.00 0.00 C ATOM 1309 CD GLN A 88 4.690 -14.055 12.424 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.272 -12.974 12.350 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.482 -14.168 12.954 1.00 0.00 N ATOM 0 H GLN A 88 3.129 -14.379 9.441 1.00 0.00 H new ATOM 0 HA GLN A 88 5.835 -13.656 10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.022 -15.974 10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.700 -16.408 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.004 -16.171 12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.423 -15.253 12.045 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.028 -15.080 12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.005 -13.343 13.317 1.00 0.00 H new ATOM 1320 N GLN A 89 5.185 -14.997 7.176 1.00 0.00 N ATOM 1321 CA GLN A 89 5.787 -15.260 5.874 1.00 0.00 C ATOM 1322 C GLN A 89 6.265 -13.947 5.259 1.00 0.00 C ATOM 1323 O GLN A 89 7.162 -13.931 4.421 1.00 0.00 O ATOM 1324 CB GLN A 89 4.804 -15.963 4.909 1.00 0.00 C ATOM 1325 CG GLN A 89 4.147 -17.217 5.472 1.00 0.00 C ATOM 1326 CD GLN A 89 5.146 -18.214 6.023 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.272 -18.324 5.536 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.739 -18.939 7.050 1.00 0.00 N ATOM 0 H GLN A 89 4.165 -15.001 7.184 1.00 0.00 H new ATOM 0 HA GLN A 89 6.631 -15.932 6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.024 -15.256 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.338 -16.228 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.453 -16.933 6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.559 -17.695 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.797 -18.814 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.367 -19.623 7.472 1.00 0.00 H new ATOM 1337 N LEU A 90 5.667 -12.842 5.695 1.00 0.00 N ATOM 1338 CA LEU A 90 5.998 -11.530 5.163 1.00 0.00 C ATOM 1339 C LEU A 90 7.158 -10.896 5.931 1.00 0.00 C ATOM 1340 O LEU A 90 8.124 -10.418 5.334 1.00 0.00 O ATOM 1341 CB LEU A 90 4.767 -10.622 5.232 1.00 0.00 C ATOM 1342 CG LEU A 90 4.963 -9.200 4.703 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.322 -9.214 3.224 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.708 -8.377 4.943 1.00 0.00 C ATOM 0 H LEU A 90 4.948 -12.833 6.419 1.00 0.00 H new ATOM 0 HA LEU A 90 6.308 -11.650 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.960 -11.091 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.440 -10.562 6.270 1.00 0.00 H new ATOM 0 HG LEU A 90 5.791 -8.742 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.456 -8.191 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.247 -9.771 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.520 -9.690 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.857 -7.366 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.866 -8.838 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.499 -8.335 6.012 1.00 0.00 H new ATOM 1356 N VAL A 91 7.060 -10.922 7.261 1.00 0.00 N ATOM 1357 CA VAL A 91 7.999 -10.217 8.137 1.00 0.00 C ATOM 1358 C VAL A 91 9.448 -10.643 7.909 1.00 0.00 C ATOM 1359 O VAL A 91 10.347 -9.806 7.922 1.00 0.00 O ATOM 1360 CB VAL A 91 7.650 -10.442 9.627 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.348 -9.752 10.005 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.580 -11.920 9.927 1.00 0.00 C ATOM 0 H VAL A 91 6.330 -11.430 7.761 1.00 0.00 H new ATOM 0 HA VAL A 91 7.903 -9.161 7.885 1.00 0.00 H new ATOM 0 HB VAL A 91 8.441 -9.998 10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.134 -9.931 11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.440 -8.680 9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.536 -10.150 9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.334 -12.067 10.979 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.812 -12.381 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.544 -12.381 9.713 1.00 0.00 H new ATOM 1372 N ASP A 92 9.669 -11.928 7.661 1.00 0.00 N ATOM 1373 CA ASP A 92 11.024 -12.442 7.530 1.00 0.00 C ATOM 1374 C ASP A 92 11.677 -11.897 6.270 1.00 0.00 C ATOM 1375 O ASP A 92 12.832 -11.453 6.283 1.00 0.00 O ATOM 1376 CB ASP A 92 11.032 -13.971 7.522 1.00 0.00 C ATOM 1377 CG ASP A 92 12.412 -14.525 7.218 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.210 -14.681 8.167 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.711 -14.791 6.035 1.00 0.00 O ATOM 0 H ASP A 92 8.934 -12.627 7.548 1.00 0.00 H new ATOM 0 HA ASP A 92 11.600 -12.108 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.697 -14.341 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.322 -14.334 6.779 1.00 0.00 H new ATOM 1384 N ILE A 93 10.909 -11.894 5.192 1.00 0.00 N ATOM 1385 CA ILE A 93 11.374 -11.388 3.916 1.00 0.00 C ATOM 1386 C ILE A 93 11.718 -9.911 4.044 1.00 0.00 C ATOM 1387 O ILE A 93 12.760 -9.461 3.560 1.00 0.00 O ATOM 1388 CB ILE A 93 10.312 -11.596 2.809 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.364 -13.026 2.251 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.496 -10.589 1.690 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.077 -14.111 3.269 1.00 0.00 C ATOM 0 H ILE A 93 9.950 -12.241 5.179 1.00 0.00 H new ATOM 0 HA ILE A 93 12.267 -11.945 3.631 1.00 0.00 H new ATOM 0 HB ILE A 93 9.331 -11.441 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.644 -13.111 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.351 -13.199 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.739 -10.754 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.395 -9.580 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.487 -10.708 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.135 -15.087 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.811 -14.059 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.078 -13.969 3.680 1.00 0.00 H new ATOM 1403 N ILE A 94 10.852 -9.173 4.738 1.00 0.00 N ATOM 1404 CA ILE A 94 11.066 -7.751 4.961 1.00 0.00 C ATOM 1405 C ILE A 94 12.415 -7.520 5.615 1.00 0.00 C ATOM 1406 O ILE A 94 13.196 -6.686 5.175 1.00 0.00 O ATOM 1407 CB ILE A 94 9.977 -7.133 5.863 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.595 -7.355 5.255 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.234 -5.644 6.072 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.477 -6.761 6.078 1.00 0.00 C ATOM 0 H ILE A 94 9.996 -9.540 5.154 1.00 0.00 H new ATOM 0 HA ILE A 94 11.025 -7.270 3.984 1.00 0.00 H new ATOM 0 HB ILE A 94 10.013 -7.627 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.571 -6.920 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.424 -8.425 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.455 -5.227 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.205 -5.506 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.225 -5.134 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.522 -6.955 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.475 -7.213 7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.625 -5.685 6.170 1.00 0.00 H new ATOM 1422 N HIS A 95 12.701 -8.299 6.649 1.00 0.00 N ATOM 1423 CA HIS A 95 13.923 -8.094 7.422 1.00 0.00 C ATOM 1424 C HIS A 95 15.144 -8.381 6.571 1.00 0.00 C ATOM 1425 O HIS A 95 16.151 -7.686 6.669 1.00 0.00 O ATOM 1426 CB HIS A 95 13.987 -8.994 8.663 1.00 0.00 C ATOM 1427 CG HIS A 95 12.791 -8.927 9.560 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.423 -9.966 10.384 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.891 -7.940 9.777 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.351 -9.622 11.070 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.006 -8.398 10.723 1.00 0.00 N ATOM 0 H HIS A 95 12.114 -9.069 6.971 1.00 0.00 H new ATOM 0 HA HIS A 95 13.911 -7.052 7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.120 -10.026 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.871 -8.726 9.242 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.872 -6.973 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.841 -10.239 11.795 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.212 -7.877 11.096 1.00 0.00 H new ATOM 1440 N GLY A 96 15.026 -9.353 5.681 1.00 0.00 N ATOM 1441 CA GLY A 96 16.193 -9.836 4.990 1.00 0.00 C ATOM 1442 C GLY A 96 16.570 -8.964 3.823 1.00 0.00 C ATOM 1443 O GLY A 96 17.668 -8.407 3.796 1.00 0.00 O ATOM 0 H GLY A 96 14.150 -9.810 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.029 -9.887 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.009 -10.851 4.637 1.00 0.00 H new ATOM 1447 N CYS A 97 15.683 -8.817 2.856 1.00 0.00 N ATOM 1448 CA CYS A 97 16.020 -8.027 1.700 1.00 0.00 C ATOM 1449 C CYS A 97 16.025 -6.534 1.981 1.00 0.00 C ATOM 1450 O CYS A 97 16.726 -5.805 1.299 1.00 0.00 O ATOM 1451 CB CYS A 97 15.203 -8.379 0.465 1.00 0.00 C ATOM 1452 SG CYS A 97 13.409 -8.429 0.655 1.00 0.00 S ATOM 0 H CYS A 97 14.748 -9.225 2.851 1.00 0.00 H new ATOM 0 HA CYS A 97 17.049 -8.299 1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 97 15.441 -7.656 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 97 15.533 -9.354 0.107 1.00 0.00 H new ATOM 1457 N GLU A 98 15.251 -6.047 2.951 1.00 0.00 N ATOM 1458 CA GLU A 98 15.407 -4.646 3.332 1.00 0.00 C ATOM 1459 C GLU A 98 16.795 -4.426 3.942 1.00 0.00 C ATOM 1460 O GLU A 98 17.448 -3.414 3.680 1.00 0.00 O ATOM 1461 CB GLU A 98 14.315 -4.206 4.316 1.00 0.00 C ATOM 1462 CG GLU A 98 13.793 -2.786 4.099 1.00 0.00 C ATOM 1463 CD GLU A 98 14.780 -1.702 4.487 1.00 0.00 C ATOM 1464 OE1 GLU A 98 15.164 -1.641 5.674 1.00 0.00 O ATOM 1465 OE2 GLU A 98 15.139 -0.879 3.619 1.00 0.00 O ATOM 0 H GLU A 98 14.543 -6.572 3.465 1.00 0.00 H new ATOM 0 HA GLU A 98 15.306 -4.036 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.478 -4.901 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.707 -4.283 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.528 -2.663 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.878 -2.654 4.676 1.00 0.00 H new ATOM 1472 N LYS A 99 17.260 -5.403 4.724 1.00 0.00 N ATOM 1473 CA LYS A 99 18.595 -5.351 5.309 1.00 0.00 C ATOM 1474 C LYS A 99 19.669 -5.396 4.221 1.00 0.00 C ATOM 1475 O LYS A 99 20.643 -4.646 4.263 1.00 0.00 O ATOM 1476 CB LYS A 99 18.776 -6.523 6.278 1.00 0.00 C ATOM 1477 CG LYS A 99 20.176 -6.666 6.842 1.00 0.00 C ATOM 1478 CD LYS A 99 20.303 -7.909 7.711 1.00 0.00 C ATOM 1479 CE LYS A 99 19.472 -7.802 8.982 1.00 0.00 C ATOM 1480 NZ LYS A 99 19.543 -9.043 9.796 1.00 0.00 N ATOM 0 H LYS A 99 16.728 -6.239 4.965 1.00 0.00 H new ATOM 0 HA LYS A 99 18.702 -4.412 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.076 -6.405 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.510 -7.447 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.895 -6.717 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.424 -5.783 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.985 -8.783 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 99 21.350 -8.063 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.823 -6.958 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.434 -7.598 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.964 -8.930 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.184 -9.845 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.531 -9.224 10.067 1.00 0.00 H new ATOM 1494 N SER A 100 19.478 -6.268 3.244 1.00 0.00 N ATOM 1495 CA SER A 100 20.449 -6.445 2.174 1.00 0.00 C ATOM 1496 C SER A 100 19.996 -5.776 0.876 1.00 0.00 C ATOM 1497 O SER A 100 20.388 -6.190 -0.217 1.00 0.00 O ATOM 1498 CB SER A 100 20.710 -7.935 1.947 1.00 0.00 C ATOM 1499 OG SER A 100 21.226 -8.535 3.124 1.00 0.00 O ATOM 0 H SER A 100 18.656 -6.867 3.169 1.00 0.00 H new ATOM 0 HA SER A 100 21.376 -5.960 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.785 -8.432 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.415 -8.066 1.126 1.00 0.00 H new ATOM 0 HG SER A 100 21.386 -9.488 2.962 1.00 0.00 H new ATOM 1505 N ALA A 101 19.165 -4.746 0.997 1.00 0.00 N ATOM 1506 CA ALA A 101 18.762 -3.955 -0.162 1.00 0.00 C ATOM 1507 C ALA A 101 19.961 -3.165 -0.678 1.00 0.00 C ATOM 1508 O ALA A 101 20.904 -2.913 0.079 1.00 0.00 O ATOM 1509 CB ALA A 101 17.604 -3.020 0.190 1.00 0.00 C ATOM 0 H ALA A 101 18.759 -4.440 1.881 1.00 0.00 H new ATOM 0 HA ALA A 101 18.413 -4.627 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.323 -2.442 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.750 -3.609 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.913 -2.342 0.986 1.00 0.00 H new ATOM 1515 N PRO A 102 19.956 -2.788 -1.972 1.00 0.00 N ATOM 1516 CA PRO A 102 21.062 -2.039 -2.594 1.00 0.00 C ATOM 1517 C PRO A 102 21.411 -0.761 -1.823 1.00 0.00 C ATOM 1518 O PRO A 102 20.629 -0.302 -0.988 1.00 0.00 O ATOM 1519 CB PRO A 102 20.516 -1.696 -3.986 1.00 0.00 C ATOM 1520 CG PRO A 102 19.499 -2.748 -4.262 1.00 0.00 C ATOM 1521 CD PRO A 102 18.868 -3.052 -2.935 1.00 0.00 C ATOM 0 HA PRO A 102 21.986 -2.616 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.071 -0.701 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.308 -1.704 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.756 -2.398 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.961 -3.638 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.002 -2.418 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.524 -4.085 -2.880 1.00 0.00 H new ATOM 1529 N PRO A 103 22.586 -0.160 -2.104 1.00 0.00 N ATOM 1530 CA PRO A 103 23.062 1.060 -1.420 1.00 0.00 C ATOM 1531 C PRO A 103 22.237 2.305 -1.764 1.00 0.00 C ATOM 1532 O PRO A 103 22.749 3.428 -1.775 1.00 0.00 O ATOM 1533 CB PRO A 103 24.506 1.221 -1.925 1.00 0.00 C ATOM 1534 CG PRO A 103 24.849 -0.077 -2.573 1.00 0.00 C ATOM 1535 CD PRO A 103 23.557 -0.622 -3.101 1.00 0.00 C ATOM 0 HA PRO A 103 22.979 0.963 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.584 2.046 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 103 25.187 1.441 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.571 0.066 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.300 -0.764 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.331 -0.238 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.576 -1.709 -3.176 1.00 0.00 H new ATOM 1543 N ASN A 104 20.960 2.094 -2.029 1.00 0.00 N ATOM 1544 CA ASN A 104 20.025 3.166 -2.308 1.00 0.00 C ATOM 1545 C ASN A 104 18.881 3.114 -1.314 1.00 0.00 C ATOM 1546 O ASN A 104 17.926 2.351 -1.498 1.00 0.00 O ATOM 1547 CB ASN A 104 19.463 3.058 -3.730 1.00 0.00 C ATOM 1548 CG ASN A 104 20.290 3.798 -4.764 1.00 0.00 C ATOM 1549 OD1 ASN A 104 21.504 3.950 -4.626 1.00 0.00 O ATOM 1550 ND2 ASN A 104 19.629 4.263 -5.811 1.00 0.00 N ATOM 0 H ASN A 104 20.540 1.165 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 104 20.559 4.112 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.402 2.006 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.446 3.450 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 104 20.126 4.770 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 104 18.623 4.115 -5.886 1.00 0.00 H new ATOM 1557 N ASP A 105 18.993 3.885 -0.242 1.00 0.00 N ATOM 1558 CA ASP A 105 17.918 3.977 0.733 1.00 0.00 C ATOM 1559 C ASP A 105 16.764 4.753 0.129 1.00 0.00 C ATOM 1560 O ASP A 105 16.737 5.983 0.162 1.00 0.00 O ATOM 1561 CB ASP A 105 18.388 4.643 2.029 1.00 0.00 C ATOM 1562 CG ASP A 105 17.272 4.776 3.051 1.00 0.00 C ATOM 1563 OD1 ASP A 105 16.790 3.737 3.556 1.00 0.00 O ATOM 1564 OD2 ASP A 105 16.879 5.921 3.367 1.00 0.00 O ATOM 0 H ASP A 105 19.813 4.453 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 105 17.593 2.968 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.203 4.060 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.788 5.631 1.802 1.00 0.00 H new ATOM 1569 N ASP A 106 15.835 4.029 -0.463 1.00 0.00 N ATOM 1570 CA ASP A 106 14.722 4.651 -1.150 1.00 0.00 C ATOM 1571 C ASP A 106 13.566 4.826 -0.179 1.00 0.00 C ATOM 1572 O ASP A 106 12.880 3.861 0.162 1.00 0.00 O ATOM 1573 CB ASP A 106 14.306 3.811 -2.356 1.00 0.00 C ATOM 1574 CG ASP A 106 13.905 4.667 -3.537 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.951 5.455 -3.405 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.549 4.557 -4.605 1.00 0.00 O ATOM 0 H ASP A 106 15.829 3.009 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 106 15.022 5.632 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.131 3.160 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.473 3.166 -2.077 1.00 0.00 H new ATOM 1581 N LYS A 107 13.386 6.073 0.249 1.00 0.00 N ATOM 1582 CA LYS A 107 12.517 6.448 1.375 1.00 0.00 C ATOM 1583 C LYS A 107 11.249 5.590 1.518 1.00 0.00 C ATOM 1584 O LYS A 107 11.164 4.773 2.430 1.00 0.00 O ATOM 1585 CB LYS A 107 12.149 7.925 1.260 1.00 0.00 C ATOM 1586 CG LYS A 107 11.974 8.601 2.605 1.00 0.00 C ATOM 1587 CD LYS A 107 11.940 10.112 2.469 1.00 0.00 C ATOM 1588 CE LYS A 107 12.240 10.787 3.795 1.00 0.00 C ATOM 1589 NZ LYS A 107 13.611 10.469 4.275 1.00 0.00 N ATOM 0 H LYS A 107 13.848 6.873 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 107 13.093 6.261 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.925 8.444 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.225 8.020 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.050 8.256 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.791 8.313 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.668 10.430 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.959 10.426 2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.133 11.866 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.510 10.468 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.935 11.218 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.600 9.559 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.258 10.408 3.463 1.00 0.00 H new ATOM 1603 N CYS A 108 10.260 5.783 0.658 1.00 0.00 N ATOM 1604 CA CYS A 108 9.024 5.005 0.748 1.00 0.00 C ATOM 1605 C CYS A 108 9.106 3.726 -0.102 1.00 0.00 C ATOM 1606 O CYS A 108 8.254 2.844 0.005 1.00 0.00 O ATOM 1607 CB CYS A 108 7.841 5.885 0.305 1.00 0.00 C ATOM 1608 SG CYS A 108 6.177 5.202 0.616 1.00 0.00 S ATOM 0 H CYS A 108 10.283 6.462 -0.103 1.00 0.00 H new ATOM 0 HA CYS A 108 8.875 4.694 1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.918 6.846 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.939 6.080 -0.763 1.00 0.00 H new ATOM 1613 N MET A 109 10.149 3.609 -0.924 1.00 0.00 N ATOM 1614 CA MET A 109 10.195 2.566 -1.948 1.00 0.00 C ATOM 1615 C MET A 109 10.785 1.230 -1.466 1.00 0.00 C ATOM 1616 O MET A 109 10.550 0.170 -2.073 1.00 0.00 O ATOM 1617 CB MET A 109 10.987 3.045 -3.151 1.00 0.00 C ATOM 1618 CG MET A 109 10.146 3.204 -4.396 1.00 0.00 C ATOM 1619 SD MET A 109 9.460 1.647 -4.981 1.00 0.00 S ATOM 1620 CE MET A 109 10.956 0.760 -5.417 1.00 0.00 C ATOM 0 H MET A 109 10.967 4.218 -0.902 1.00 0.00 H new ATOM 0 HA MET A 109 9.155 2.375 -2.211 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.455 4.000 -2.912 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.792 2.338 -3.352 1.00 0.00 H new ATOM 0 HG2 MET A 109 9.332 3.900 -4.192 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.754 3.647 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.707 -0.070 -6.078 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.644 1.435 -5.926 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.428 0.375 -4.513 1.00 0.00 H new ATOM 1630 N LYS A 110 11.573 1.275 -0.399 1.00 0.00 N ATOM 1631 CA LYS A 110 12.305 0.079 0.053 1.00 0.00 C ATOM 1632 C LYS A 110 11.358 -1.075 0.283 1.00 0.00 C ATOM 1633 O LYS A 110 11.607 -2.205 -0.126 1.00 0.00 O ATOM 1634 CB LYS A 110 13.105 0.311 1.341 1.00 0.00 C ATOM 1635 CG LYS A 110 12.301 0.710 2.570 1.00 0.00 C ATOM 1636 CD LYS A 110 12.437 2.181 2.893 1.00 0.00 C ATOM 1637 CE LYS A 110 13.892 2.640 2.878 1.00 0.00 C ATOM 1638 NZ LYS A 110 14.752 1.864 3.815 1.00 0.00 N ATOM 0 H LYS A 110 11.726 2.109 0.168 1.00 0.00 H new ATOM 0 HA LYS A 110 13.008 -0.153 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.654 -0.602 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.845 1.088 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.250 0.472 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.632 0.121 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.866 2.765 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.005 2.378 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.287 2.546 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.938 3.697 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.699 2.292 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 14.329 1.876 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.829 0.882 3.482 1.00 0.00 H new ATOM 1652 N THR A 111 10.281 -0.757 0.954 1.00 0.00 N ATOM 1653 CA THR A 111 9.215 -1.685 1.246 1.00 0.00 C ATOM 1654 C THR A 111 8.660 -2.383 -0.010 1.00 0.00 C ATOM 1655 O THR A 111 7.998 -3.413 0.105 1.00 0.00 O ATOM 1656 CB THR A 111 8.123 -0.915 2.019 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.873 -1.565 3.275 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.800 -0.776 1.247 1.00 0.00 C ATOM 0 H THR A 111 10.115 0.179 1.323 1.00 0.00 H new ATOM 0 HA THR A 111 9.604 -2.499 1.857 1.00 0.00 H new ATOM 0 HB THR A 111 8.506 0.094 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.181 -1.074 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.081 -0.224 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.977 -0.239 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.403 -1.766 1.025 1.00 0.00 H new ATOM 1666 N ILE A 112 8.968 -1.872 -1.204 1.00 0.00 N ATOM 1667 CA ILE A 112 8.509 -2.510 -2.419 1.00 0.00 C ATOM 1668 C ILE A 112 9.570 -3.485 -2.889 1.00 0.00 C ATOM 1669 O ILE A 112 9.257 -4.590 -3.340 1.00 0.00 O ATOM 1670 CB ILE A 112 8.169 -1.510 -3.537 1.00 0.00 C ATOM 1671 CG1 ILE A 112 6.742 -0.981 -3.390 1.00 0.00 C ATOM 1672 CG2 ILE A 112 8.360 -2.134 -4.908 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.522 -0.159 -2.144 1.00 0.00 C ATOM 0 H ILE A 112 9.526 -1.030 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 112 7.580 -3.032 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 112 8.858 -0.670 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.498 -0.374 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.051 -1.824 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.112 -1.403 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.398 -2.446 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.707 -3.001 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.487 0.181 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.733 -0.768 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.187 0.705 -2.156 1.00 0.00 H new ATOM 1685 N ASP A 113 10.839 -3.081 -2.751 1.00 0.00 N ATOM 1686 CA ASP A 113 11.943 -3.972 -3.089 1.00 0.00 C ATOM 1687 C ASP A 113 11.843 -5.242 -2.249 1.00 0.00 C ATOM 1688 O ASP A 113 12.035 -6.351 -2.752 1.00 0.00 O ATOM 1689 CB ASP A 113 13.311 -3.294 -2.861 1.00 0.00 C ATOM 1690 CG ASP A 113 14.466 -4.111 -3.411 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.976 -4.998 -2.698 1.00 0.00 O ATOM 1692 OD2 ASP A 113 14.877 -3.863 -4.565 1.00 0.00 O ATOM 0 H ASP A 113 11.118 -2.160 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 113 11.871 -4.220 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.309 -2.311 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.460 -3.134 -1.793 1.00 0.00 H new ATOM 1697 N VAL A 114 11.450 -5.084 -0.988 1.00 0.00 N ATOM 1698 CA VAL A 114 11.396 -6.195 -0.076 1.00 0.00 C ATOM 1699 C VAL A 114 10.083 -6.978 -0.263 1.00 0.00 C ATOM 1700 O VAL A 114 10.034 -8.217 -0.184 1.00 0.00 O ATOM 1701 CB VAL A 114 11.596 -5.703 1.365 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.769 -4.749 1.398 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.362 -5.042 1.910 1.00 0.00 C ATOM 0 H VAL A 114 11.166 -4.191 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 114 12.209 -6.888 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 114 11.798 -6.565 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.920 -4.393 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.667 -5.264 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.567 -3.901 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.548 -4.709 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.105 -4.183 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.536 -5.753 1.905 1.00 0.00 H new ATOM 1713 N ALA A 115 9.026 -6.248 -0.590 1.00 0.00 N ATOM 1714 CA ALA A 115 7.751 -6.864 -0.932 1.00 0.00 C ATOM 1715 C ALA A 115 7.907 -7.798 -2.116 1.00 0.00 C ATOM 1716 O ALA A 115 7.357 -8.908 -2.137 1.00 0.00 O ATOM 1717 CB ALA A 115 6.720 -5.810 -1.245 1.00 0.00 C ATOM 0 H ALA A 115 9.026 -5.229 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 115 7.415 -7.442 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.775 -6.290 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.580 -5.168 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.059 -5.209 -2.089 1.00 0.00 H new ATOM 1723 N MET A 116 8.646 -7.352 -3.118 1.00 0.00 N ATOM 1724 CA MET A 116 8.836 -8.187 -4.284 1.00 0.00 C ATOM 1725 C MET A 116 9.690 -9.426 -3.975 1.00 0.00 C ATOM 1726 O MET A 116 9.585 -10.418 -4.687 1.00 0.00 O ATOM 1727 CB MET A 116 9.322 -7.422 -5.539 1.00 0.00 C ATOM 1728 CG MET A 116 10.611 -6.623 -5.426 1.00 0.00 C ATOM 1729 SD MET A 116 11.042 -5.856 -7.002 1.00 0.00 S ATOM 1730 CE MET A 116 12.461 -4.874 -6.530 1.00 0.00 C ATOM 0 H MET A 116 9.110 -6.444 -3.147 1.00 0.00 H new ATOM 0 HA MET A 116 7.841 -8.544 -4.549 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.445 -8.145 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.529 -6.738 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.499 -5.853 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.421 -7.277 -5.103 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.179 -4.854 -7.350 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.141 -3.857 -6.303 1.00 0.00 H new ATOM 0 HE3 MET A 116 12.929 -5.312 -5.648 1.00 0.00 H new ATOM 1740 N CYS A 117 10.476 -9.416 -2.886 1.00 0.00 N ATOM 1741 CA CYS A 117 11.150 -10.626 -2.429 1.00 0.00 C ATOM 1742 C CYS A 117 10.117 -11.620 -1.948 1.00 0.00 C ATOM 1743 O CYS A 117 10.295 -12.836 -2.053 1.00 0.00 O ATOM 1744 CB CYS A 117 12.107 -10.326 -1.283 1.00 0.00 C ATOM 1745 SG CYS A 117 12.818 -8.666 -1.275 1.00 0.00 S ATOM 0 H CYS A 117 10.655 -8.589 -2.316 1.00 0.00 H new ATOM 0 HA CYS A 117 11.720 -11.033 -3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.579 -10.480 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.921 -11.050 -1.314 1.00 0.00 H new ATOM 1750 N PHE A 118 9.024 -11.087 -1.439 1.00 0.00 N ATOM 1751 CA PHE A 118 7.960 -11.926 -0.904 1.00 0.00 C ATOM 1752 C PHE A 118 7.194 -12.645 -2.019 1.00 0.00 C ATOM 1753 O PHE A 118 6.949 -13.847 -1.913 1.00 0.00 O ATOM 1754 CB PHE A 118 7.016 -11.123 0.008 1.00 0.00 C ATOM 1755 CG PHE A 118 5.818 -11.896 0.510 1.00 0.00 C ATOM 1756 CD1 PHE A 118 5.971 -12.935 1.418 1.00 0.00 C ATOM 1757 CD2 PHE A 118 4.537 -11.583 0.072 1.00 0.00 C ATOM 1758 CE1 PHE A 118 4.874 -13.642 1.876 1.00 0.00 C ATOM 1759 CE2 PHE A 118 3.440 -12.288 0.528 1.00 0.00 C ATOM 1760 CZ PHE A 118 3.609 -13.318 1.431 1.00 0.00 C ATOM 0 H PHE A 118 8.846 -10.084 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 118 8.429 -12.695 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.583 -10.759 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.664 -10.247 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.958 -13.194 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.397 -10.778 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.008 -14.448 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.451 -12.033 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 118 2.752 -13.870 1.789 1.00 0.00 H new ATOM 1770 N LYS A 119 6.807 -11.945 -3.091 1.00 0.00 N ATOM 1771 CA LYS A 119 6.120 -12.645 -4.185 1.00 0.00 C ATOM 1772 C LYS A 119 7.096 -13.559 -4.937 1.00 0.00 C ATOM 1773 O LYS A 119 6.671 -14.507 -5.595 1.00 0.00 O ATOM 1774 CB LYS A 119 5.355 -11.707 -5.145 1.00 0.00 C ATOM 1775 CG LYS A 119 6.073 -11.369 -6.445 1.00 0.00 C ATOM 1776 CD LYS A 119 6.988 -10.173 -6.307 1.00 0.00 C ATOM 1777 CE LYS A 119 7.779 -9.932 -7.585 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.902 -9.630 -8.751 1.00 0.00 N ATOM 0 H LYS A 119 6.947 -10.944 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 119 5.350 -13.262 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.398 -12.168 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.137 -10.778 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.655 -12.232 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.335 -11.170 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.399 -9.287 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.675 -10.332 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.470 -9.103 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.382 -10.813 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.487 -9.326 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.368 -10.483 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.238 -8.870 -8.498 1.00 0.00 H new ATOM 1792 N LYS A 120 8.404 -13.274 -4.839 1.00 0.00 N ATOM 1793 CA LYS A 120 9.418 -14.216 -5.323 1.00 0.00 C ATOM 1794 C LYS A 120 9.232 -15.558 -4.615 1.00 0.00 C ATOM 1795 O LYS A 120 9.185 -16.615 -5.249 1.00 0.00 O ATOM 1796 CB LYS A 120 10.845 -13.707 -5.070 1.00 0.00 C ATOM 1797 CG LYS A 120 11.590 -13.292 -6.333 1.00 0.00 C ATOM 1798 CD LYS A 120 11.456 -11.803 -6.603 1.00 0.00 C ATOM 1799 CE LYS A 120 12.255 -10.983 -5.598 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.703 -10.934 -5.937 1.00 0.00 N ATOM 0 H LYS A 120 8.777 -12.414 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 120 9.288 -14.324 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.801 -12.856 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.414 -14.488 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.644 -13.550 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.203 -13.852 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.802 -11.582 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.405 -11.516 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.858 -9.969 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.131 -11.410 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.207 -10.366 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.090 -11.899 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.825 -10.503 -6.875 1.00 0.00 H new ATOM 1814 N GLU A 121 9.114 -15.486 -3.291 1.00 0.00 N ATOM 1815 CA GLU A 121 8.838 -16.664 -2.463 1.00 0.00 C ATOM 1816 C GLU A 121 7.531 -17.357 -2.864 1.00 0.00 C ATOM 1817 O GLU A 121 7.522 -18.566 -3.091 1.00 0.00 O ATOM 1818 CB GLU A 121 8.780 -16.281 -0.981 1.00 0.00 C ATOM 1819 CG GLU A 121 10.130 -15.935 -0.380 1.00 0.00 C ATOM 1820 CD GLU A 121 11.109 -17.084 -0.465 1.00 0.00 C ATOM 1821 OE1 GLU A 121 10.987 -18.035 0.336 1.00 0.00 O ATOM 1822 OE2 GLU A 121 12.004 -17.039 -1.335 1.00 0.00 O ATOM 0 H GLU A 121 9.206 -14.618 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 121 9.656 -17.365 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.112 -15.428 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.345 -17.108 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 121 10.544 -15.069 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.998 -15.650 0.664 1.00 0.00 H new ATOM 1829 N ILE A 122 6.427 -16.606 -2.942 1.00 0.00 N ATOM 1830 CA ILE A 122 5.153 -17.171 -3.361 1.00 0.00 C ATOM 1831 C ILE A 122 5.272 -17.825 -4.755 1.00 0.00 C ATOM 1832 O ILE A 122 4.664 -18.863 -5.012 1.00 0.00 O ATOM 1833 CB ILE A 122 4.030 -16.088 -3.308 1.00 0.00 C ATOM 1834 CG1 ILE A 122 2.815 -16.632 -2.560 1.00 0.00 C ATOM 1835 CG2 ILE A 122 3.615 -15.600 -4.694 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.021 -17.655 -3.342 1.00 0.00 C ATOM 0 H ILE A 122 6.396 -15.611 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 122 4.873 -17.961 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 122 4.439 -15.229 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.148 -17.082 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 122 2.160 -15.801 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.832 -14.848 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.476 -15.162 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.240 -16.440 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.175 -17.993 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.656 -17.204 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.659 -18.505 -3.581 1.00 0.00 H new ATOM 1848 N HIS A 123 6.085 -17.232 -5.638 1.00 0.00 N ATOM 1849 CA HIS A 123 6.349 -17.809 -6.959 1.00 0.00 C ATOM 1850 C HIS A 123 7.251 -19.047 -6.897 1.00 0.00 C ATOM 1851 O HIS A 123 7.346 -19.787 -7.872 1.00 0.00 O ATOM 1852 CB HIS A 123 6.958 -16.769 -7.901 1.00 0.00 C ATOM 1853 CG HIS A 123 5.939 -15.901 -8.576 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.026 -15.523 -9.899 1.00 0.00 N ATOM 1855 CD2 HIS A 123 4.805 -15.331 -8.103 1.00 0.00 C ATOM 1856 CE1 HIS A 123 4.996 -14.758 -10.207 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.240 -14.628 -9.135 1.00 0.00 N ATOM 0 H HIS A 123 6.571 -16.353 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 123 5.383 -18.128 -7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.644 -16.138 -7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.548 -17.281 -8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.418 -15.415 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.805 -14.314 -11.173 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.374 -14.091 -9.082 1.00 0.00 H new ATOM 1866 N LYS A 124 7.961 -19.244 -5.791 1.00 0.00 N ATOM 1867 CA LYS A 124 8.735 -20.458 -5.590 1.00 0.00 C ATOM 1868 C LYS A 124 7.827 -21.608 -5.152 1.00 0.00 C ATOM 1869 O LYS A 124 8.040 -22.763 -5.527 1.00 0.00 O ATOM 1870 CB LYS A 124 9.832 -20.212 -4.544 1.00 0.00 C ATOM 1871 CG LYS A 124 10.626 -21.456 -4.180 1.00 0.00 C ATOM 1872 CD LYS A 124 11.357 -22.023 -5.384 1.00 0.00 C ATOM 1873 CE LYS A 124 12.574 -21.191 -5.750 1.00 0.00 C ATOM 1874 NZ LYS A 124 13.419 -21.866 -6.769 1.00 0.00 N ATOM 0 H LYS A 124 8.015 -18.577 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 124 9.204 -20.735 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.517 -19.453 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.375 -19.807 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.345 -21.214 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.954 -22.211 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.667 -23.046 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.677 -22.066 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.251 -20.222 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.166 -21.001 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.239 -21.267 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.749 -22.779 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.861 -22.025 -7.632 1.00 0.00 H new ATOM 1888 N LEU A 125 6.807 -21.283 -4.370 1.00 0.00 N ATOM 1889 CA LEU A 125 5.875 -22.297 -3.870 1.00 0.00 C ATOM 1890 C LEU A 125 4.928 -22.816 -4.960 1.00 0.00 C ATOM 1891 O LEU A 125 4.658 -24.015 -5.012 1.00 0.00 O ATOM 1892 CB LEU A 125 5.058 -21.729 -2.711 1.00 0.00 C ATOM 1893 CG LEU A 125 5.880 -21.236 -1.518 1.00 0.00 C ATOM 1894 CD1 LEU A 125 4.970 -20.705 -0.421 1.00 0.00 C ATOM 1895 CD2 LEU A 125 6.767 -22.352 -0.987 1.00 0.00 C ATOM 0 H LEU A 125 6.600 -20.331 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 125 6.475 -23.141 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.454 -20.901 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.367 -22.497 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 125 6.519 -20.419 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.574 -20.360 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.379 -19.875 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.303 -21.499 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.345 -21.985 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.146 -23.189 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.446 -22.682 -1.773 1.00 0.00 H new