USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 981 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 79 THR OG1 : rot 54:sc= -0.78! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -4.39! C(o=-5.2!,f=-21!) USER MOD Set 2.1: A 44 CYS SG : rot 42:sc= 1.26 USER MOD Set 2.2: A 118 MET CE :methyl -136:sc= -0.292 (180deg=-3.39!) USER MOD Set 3.1: A 16 ASN : amide:sc= -0.891 K(o=-2.5,f=-5.2!) USER MOD Set 3.2: A 28 ASN : amide:sc= -1.58! C(o=-2.5!,f=-5.6!) USER MOD Set 4.1: A 22 THR OG1 : rot -151:sc= -0.227 USER MOD Set 4.2: A 25 ASN :FLIP amide:sc= -1.52 F(o=-3.7,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 55:sc= 0.00643 USER MOD Single : A 12 CYS SG : rot 20:sc= 0.0311 USER MOD Single : A 13 ASN : amide:sc=-0.00225 X(o=-0.0023,f=0) USER MOD Single : A 14 SER OG : rot 19:sc= 0.0657 USER MOD Single : A 17 SER OG : rot 43:sc= 0.917 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.39) USER MOD Single : A 47 TYR OH : rot 48:sc= -1.26 USER MOD Single : A 49 CYS SG : rot -52:sc= -7.79! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= 0.944 (180deg=-0.372) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.31! C(o=-0.31!,f=-7.7!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.78 F(o=-1.6,f=-0.78) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -127:sc= 0.585 USER MOD Single : A 99 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-7.4!) USER MOD Single : A 102 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0.037) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -160:sc= -3.79! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -3:sc= -0.0278 USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 25:sc= 0.427 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.810 -18.772 16.906 1.00 0.00 N ATOM 2 CA GLY A 1 -2.274 -17.675 16.119 1.00 0.00 C ATOM 3 C GLY A 1 -3.291 -16.539 15.997 1.00 0.00 C ATOM 4 O GLY A 1 -3.271 -15.596 16.786 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.101 -19.530 16.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.046 -18.432 17.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.668 -19.141 16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.361 -17.302 16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.003 -18.034 15.126 1.00 0.00 H new ATOM 8 N SER A 2 -4.157 -16.667 15.002 1.00 0.00 N ATOM 9 CA SER A 2 -5.180 -15.663 14.767 1.00 0.00 C ATOM 10 C SER A 2 -6.389 -15.926 15.668 1.00 0.00 C ATOM 11 O SER A 2 -6.597 -17.051 16.119 1.00 0.00 O ATOM 12 CB SER A 2 -5.607 -15.645 13.298 1.00 0.00 C ATOM 13 OG SER A 2 -6.512 -16.703 12.992 1.00 0.00 O ATOM 0 H SER A 2 -4.171 -17.451 14.350 1.00 0.00 H new ATOM 0 HA SER A 2 -4.761 -14.686 15.008 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.077 -14.688 13.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.725 -15.727 12.663 1.00 0.00 H new ATOM 0 HG SER A 2 -6.762 -16.656 12.046 1.00 0.00 H new ATOM 19 N SER A 3 -7.153 -14.869 15.902 1.00 0.00 N ATOM 20 CA SER A 3 -8.335 -14.972 16.741 1.00 0.00 C ATOM 21 C SER A 3 -9.167 -13.693 16.632 1.00 0.00 C ATOM 22 O SER A 3 -8.733 -12.627 17.067 1.00 0.00 O ATOM 23 CB SER A 3 -7.954 -15.235 18.200 1.00 0.00 C ATOM 24 OG SER A 3 -8.901 -16.073 18.856 1.00 0.00 O ATOM 0 H SER A 3 -6.977 -13.938 15.525 1.00 0.00 H new ATOM 0 HA SER A 3 -8.930 -15.816 16.391 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.969 -15.701 18.239 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.879 -14.287 18.732 1.00 0.00 H new ATOM 0 HG SER A 3 -8.622 -16.219 19.784 1.00 0.00 H new ATOM 30 N GLY A 4 -10.347 -13.840 16.049 1.00 0.00 N ATOM 31 CA GLY A 4 -11.244 -12.710 15.877 1.00 0.00 C ATOM 32 C GLY A 4 -12.487 -13.112 15.080 1.00 0.00 C ATOM 33 O GLY A 4 -12.503 -14.159 14.436 1.00 0.00 O ATOM 0 H GLY A 4 -10.703 -14.725 15.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.542 -12.326 16.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.723 -11.903 15.362 1.00 0.00 H new ATOM 37 N SER A 5 -13.497 -12.258 15.151 1.00 0.00 N ATOM 38 CA SER A 5 -14.741 -12.511 14.444 1.00 0.00 C ATOM 39 C SER A 5 -15.136 -11.282 13.623 1.00 0.00 C ATOM 40 O SER A 5 -15.279 -11.366 12.404 1.00 0.00 O ATOM 41 CB SER A 5 -15.862 -12.881 15.418 1.00 0.00 C ATOM 42 OG SER A 5 -16.319 -14.217 15.224 1.00 0.00 O ATOM 0 H SER A 5 -13.480 -11.390 15.687 1.00 0.00 H new ATOM 0 HA SER A 5 -14.587 -13.355 13.771 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.506 -12.765 16.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.696 -12.191 15.290 1.00 0.00 H new ATOM 0 HG SER A 5 -17.033 -14.415 15.866 1.00 0.00 H new ATOM 48 N SER A 6 -15.300 -10.170 14.323 1.00 0.00 N ATOM 49 CA SER A 6 -15.675 -8.925 13.673 1.00 0.00 C ATOM 50 C SER A 6 -15.622 -7.773 14.679 1.00 0.00 C ATOM 51 O SER A 6 -15.835 -7.977 15.873 1.00 0.00 O ATOM 52 CB SER A 6 -17.071 -9.026 13.054 1.00 0.00 C ATOM 53 OG SER A 6 -18.095 -9.040 14.046 1.00 0.00 O ATOM 0 H SER A 6 -15.180 -10.104 15.334 1.00 0.00 H new ATOM 0 HA SER A 6 -14.964 -8.730 12.870 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.231 -8.184 12.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.136 -9.933 12.453 1.00 0.00 H new ATOM 0 HG SER A 6 -18.971 -9.104 13.611 1.00 0.00 H new ATOM 59 N GLY A 7 -15.337 -6.589 14.158 1.00 0.00 N ATOM 60 CA GLY A 7 -15.253 -5.404 14.996 1.00 0.00 C ATOM 61 C GLY A 7 -13.799 -4.963 15.178 1.00 0.00 C ATOM 62 O GLY A 7 -12.920 -5.388 14.430 1.00 0.00 O ATOM 0 H GLY A 7 -15.161 -6.424 13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.829 -4.595 14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.699 -5.610 15.969 1.00 0.00 H new ATOM 66 N SER A 8 -13.592 -4.117 16.176 1.00 0.00 N ATOM 67 CA SER A 8 -12.260 -3.614 16.466 1.00 0.00 C ATOM 68 C SER A 8 -11.747 -2.782 15.288 1.00 0.00 C ATOM 69 O SER A 8 -11.122 -3.314 14.373 1.00 0.00 O ATOM 70 CB SER A 8 -11.292 -4.760 16.767 1.00 0.00 C ATOM 71 OG SER A 8 -10.019 -4.284 17.196 1.00 0.00 O ATOM 0 H SER A 8 -14.324 -3.767 16.794 1.00 0.00 H new ATOM 0 HA SER A 8 -12.319 -2.981 17.352 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.718 -5.401 17.538 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.168 -5.374 15.875 1.00 0.00 H new ATOM 0 HG SER A 8 -9.430 -5.045 17.380 1.00 0.00 H new ATOM 77 N GLU A 9 -12.032 -1.489 15.351 1.00 0.00 N ATOM 78 CA GLU A 9 -11.607 -0.578 14.301 1.00 0.00 C ATOM 79 C GLU A 9 -12.253 -0.965 12.969 1.00 0.00 C ATOM 80 O GLU A 9 -12.160 -2.114 12.541 1.00 0.00 O ATOM 81 CB GLU A 9 -10.082 -0.550 14.183 1.00 0.00 C ATOM 82 CG GLU A 9 -9.524 0.810 14.608 1.00 0.00 C ATOM 83 CD GLU A 9 -7.996 0.822 14.539 1.00 0.00 C ATOM 84 OE1 GLU A 9 -7.479 1.168 13.455 1.00 0.00 O ATOM 85 OE2 GLU A 9 -7.379 0.484 15.572 1.00 0.00 O ATOM 0 H GLU A 9 -12.551 -1.051 16.112 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.936 0.427 14.564 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.651 -1.334 14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.789 -0.762 13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.927 1.590 13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.847 1.038 15.624 1.00 0.00 H new ATOM 92 N SER A 10 -12.893 0.017 12.351 1.00 0.00 N ATOM 93 CA SER A 10 -13.554 -0.207 11.077 1.00 0.00 C ATOM 94 C SER A 10 -13.992 1.129 10.473 1.00 0.00 C ATOM 95 O SER A 10 -13.583 1.478 9.367 1.00 0.00 O ATOM 96 CB SER A 10 -14.758 -1.137 11.236 1.00 0.00 C ATOM 97 OG SER A 10 -14.553 -2.391 10.592 1.00 0.00 O ATOM 0 H SER A 10 -12.968 0.969 12.709 1.00 0.00 H new ATOM 0 HA SER A 10 -12.844 -0.688 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.952 -1.301 12.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.644 -0.657 10.821 1.00 0.00 H new ATOM 0 HG SER A 10 -13.725 -2.797 10.923 1.00 0.00 H new ATOM 103 N ILE A 11 -14.818 1.840 11.226 1.00 0.00 N ATOM 104 CA ILE A 11 -15.316 3.130 10.779 1.00 0.00 C ATOM 105 C ILE A 11 -14.169 3.924 10.151 1.00 0.00 C ATOM 106 O ILE A 11 -13.000 3.606 10.362 1.00 0.00 O ATOM 107 CB ILE A 11 -16.015 3.862 11.927 1.00 0.00 C ATOM 108 CG1 ILE A 11 -16.906 4.987 11.398 1.00 0.00 C ATOM 109 CG2 ILE A 11 -14.999 4.370 12.953 1.00 0.00 C ATOM 110 CD1 ILE A 11 -18.062 5.269 12.360 1.00 0.00 C ATOM 0 H ILE A 11 -15.155 1.547 12.143 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.074 2.999 10.007 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.663 3.152 12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.313 5.891 11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.301 4.714 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.522 4.886 13.758 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.444 3.527 13.363 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.307 5.059 12.469 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.680 6.073 11.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.667 4.370 12.476 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.664 5.566 13.330 1.00 0.00 H new ATOM 122 N CYS A 12 -14.544 4.943 9.391 1.00 0.00 N ATOM 123 CA CYS A 12 -13.562 5.785 8.731 1.00 0.00 C ATOM 124 C CYS A 12 -14.129 7.203 8.638 1.00 0.00 C ATOM 125 O CYS A 12 -15.345 7.388 8.606 1.00 0.00 O ATOM 126 CB CYS A 12 -13.177 5.234 7.356 1.00 0.00 C ATOM 127 SG CYS A 12 -14.627 5.264 6.241 1.00 0.00 S ATOM 0 H CYS A 12 -15.515 5.204 9.218 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.642 5.800 9.315 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.368 5.828 6.930 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.805 4.214 7.455 1.00 0.00 H new ATOM 0 HG CYS A 12 -15.510 6.101 6.699 1.00 0.00 H new ATOM 133 N ASN A 13 -13.222 8.168 8.598 1.00 0.00 N ATOM 134 CA ASN A 13 -13.616 9.563 8.510 1.00 0.00 C ATOM 135 C ASN A 13 -13.201 10.121 7.148 1.00 0.00 C ATOM 136 O ASN A 13 -12.124 9.804 6.645 1.00 0.00 O ATOM 137 CB ASN A 13 -12.930 10.399 9.592 1.00 0.00 C ATOM 138 CG ASN A 13 -13.956 10.991 10.561 1.00 0.00 C ATOM 139 OD1 ASN A 13 -14.739 11.862 10.221 1.00 0.00 O ATOM 140 ND2 ASN A 13 -13.908 10.471 11.784 1.00 0.00 N ATOM 0 H ASN A 13 -12.215 8.011 8.625 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.696 9.617 8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.222 9.779 10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.358 11.202 9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.552 10.800 12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.227 9.744 12.003 1.00 0.00 H new ATOM 147 N SER A 14 -14.077 10.944 6.589 1.00 0.00 N ATOM 148 CA SER A 14 -13.815 11.549 5.294 1.00 0.00 C ATOM 149 C SER A 14 -13.463 13.028 5.469 1.00 0.00 C ATOM 150 O SER A 14 -14.141 13.748 6.200 1.00 0.00 O ATOM 151 CB SER A 14 -15.018 11.396 4.361 1.00 0.00 C ATOM 152 OG SER A 14 -16.161 12.097 4.845 1.00 0.00 O ATOM 0 H SER A 14 -14.969 11.206 7.009 1.00 0.00 H new ATOM 0 HA SER A 14 -12.970 11.032 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.758 11.767 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.260 10.339 4.252 1.00 0.00 H new ATOM 0 HG SER A 14 -15.879 12.772 5.498 1.00 0.00 H new ATOM 158 N LEU A 15 -12.403 13.436 4.787 1.00 0.00 N ATOM 159 CA LEU A 15 -11.953 14.815 4.858 1.00 0.00 C ATOM 160 C LEU A 15 -10.798 15.022 3.876 1.00 0.00 C ATOM 161 O LEU A 15 -9.869 14.218 3.828 1.00 0.00 O ATOM 162 CB LEU A 15 -11.609 15.193 6.300 1.00 0.00 C ATOM 163 CG LEU A 15 -12.652 16.033 7.041 1.00 0.00 C ATOM 164 CD1 LEU A 15 -12.892 15.490 8.451 1.00 0.00 C ATOM 165 CD2 LEU A 15 -12.256 17.511 7.055 1.00 0.00 C ATOM 0 H LEU A 15 -11.843 12.835 4.182 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.753 15.492 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.442 14.276 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.667 15.741 6.296 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.597 15.958 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.637 16.105 8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.251 14.463 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.959 15.515 9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.014 18.086 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.295 17.625 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.177 17.876 6.031 1.00 0.00 H new ATOM 177 N ASN A 16 -10.895 16.104 3.117 1.00 0.00 N ATOM 178 CA ASN A 16 -9.870 16.426 2.139 1.00 0.00 C ATOM 179 C ASN A 16 -8.855 17.384 2.767 1.00 0.00 C ATOM 180 O ASN A 16 -9.061 18.597 2.771 1.00 0.00 O ATOM 181 CB ASN A 16 -10.475 17.115 0.914 1.00 0.00 C ATOM 182 CG ASN A 16 -9.395 17.446 -0.118 1.00 0.00 C ATOM 183 OD1 ASN A 16 -8.208 17.278 0.112 1.00 0.00 O ATOM 184 ND2 ASN A 16 -9.870 17.924 -1.264 1.00 0.00 N ATOM 0 H ASN A 16 -11.668 16.769 3.160 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.393 15.495 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.228 16.468 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.983 18.030 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.229 18.175 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.875 18.040 -1.391 1.00 0.00 H new ATOM 191 N SER A 17 -7.782 16.803 3.283 1.00 0.00 N ATOM 192 CA SER A 17 -6.735 17.590 3.912 1.00 0.00 C ATOM 193 C SER A 17 -5.505 16.717 4.167 1.00 0.00 C ATOM 194 O SER A 17 -5.630 15.582 4.626 1.00 0.00 O ATOM 195 CB SER A 17 -7.225 18.213 5.220 1.00 0.00 C ATOM 196 OG SER A 17 -7.764 19.517 5.022 1.00 0.00 O ATOM 0 H SER A 17 -7.615 15.797 3.278 1.00 0.00 H new ATOM 0 HA SER A 17 -6.463 18.400 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.985 17.571 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.398 18.266 5.928 1.00 0.00 H new ATOM 0 HG SER A 17 -8.326 19.520 4.219 1.00 0.00 H new ATOM 202 N LYS A 18 -4.345 17.278 3.858 1.00 0.00 N ATOM 203 CA LYS A 18 -3.094 16.564 4.049 1.00 0.00 C ATOM 204 C LYS A 18 -3.118 15.856 5.405 1.00 0.00 C ATOM 205 O LYS A 18 -3.603 16.410 6.390 1.00 0.00 O ATOM 206 CB LYS A 18 -1.905 17.509 3.869 1.00 0.00 C ATOM 207 CG LYS A 18 -1.380 17.463 2.433 1.00 0.00 C ATOM 208 CD LYS A 18 -1.067 18.870 1.918 1.00 0.00 C ATOM 209 CE LYS A 18 -2.056 19.288 0.829 1.00 0.00 C ATOM 210 NZ LYS A 18 -1.518 18.963 -0.512 1.00 0.00 N ATOM 0 H LYS A 18 -4.245 18.219 3.477 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.976 15.792 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.204 18.527 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.109 17.233 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.481 16.848 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.120 16.991 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.108 19.581 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.052 18.899 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.008 18.778 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.253 20.358 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.202 19.253 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.621 19.469 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.353 17.938 -0.581 1.00 0.00 H new ATOM 224 N LEU A 19 -2.588 14.641 5.412 1.00 0.00 N ATOM 225 CA LEU A 19 -2.541 13.852 6.631 1.00 0.00 C ATOM 226 C LEU A 19 -1.388 12.851 6.542 1.00 0.00 C ATOM 227 O LEU A 19 -0.713 12.765 5.517 1.00 0.00 O ATOM 228 CB LEU A 19 -3.900 13.202 6.900 1.00 0.00 C ATOM 229 CG LEU A 19 -4.817 13.944 7.875 1.00 0.00 C ATOM 230 CD1 LEU A 19 -6.286 13.616 7.604 1.00 0.00 C ATOM 231 CD2 LEU A 19 -4.423 13.654 9.325 1.00 0.00 C ATOM 0 H LEU A 19 -2.188 14.184 4.593 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.342 14.491 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.424 13.095 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.730 12.197 7.286 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.692 15.015 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.916 14.156 8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.544 13.913 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.447 12.544 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.090 14.193 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.502 12.584 9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.396 13.978 9.495 1.00 0.00 H new ATOM 243 N GLU A 20 -1.197 12.118 7.629 1.00 0.00 N ATOM 244 CA GLU A 20 -0.137 11.126 7.686 1.00 0.00 C ATOM 245 C GLU A 20 -0.291 10.118 6.546 1.00 0.00 C ATOM 246 O GLU A 20 -1.383 9.949 6.006 1.00 0.00 O ATOM 247 CB GLU A 20 -0.118 10.421 9.044 1.00 0.00 C ATOM 248 CG GLU A 20 0.258 11.395 10.163 1.00 0.00 C ATOM 249 CD GLU A 20 1.508 12.196 9.795 1.00 0.00 C ATOM 250 OE1 GLU A 20 2.612 11.707 10.119 1.00 0.00 O ATOM 251 OE2 GLU A 20 1.332 13.280 9.197 1.00 0.00 O ATOM 0 H GLU A 20 -1.759 12.191 8.477 1.00 0.00 H new ATOM 0 HA GLU A 20 0.819 11.637 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.098 9.989 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.595 9.597 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.572 12.076 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.434 10.843 11.086 1.00 0.00 H new ATOM 258 N PRO A 21 0.847 9.457 6.205 1.00 0.00 N ATOM 259 CA PRO A 21 0.849 8.469 5.139 1.00 0.00 C ATOM 260 C PRO A 21 0.189 7.167 5.597 1.00 0.00 C ATOM 261 O PRO A 21 0.791 6.098 5.509 1.00 0.00 O ATOM 262 CB PRO A 21 2.312 8.295 4.767 1.00 0.00 C ATOM 263 CG PRO A 21 3.109 8.836 5.942 1.00 0.00 C ATOM 264 CD PRO A 21 2.159 9.631 6.823 1.00 0.00 C ATOM 0 HA PRO A 21 0.266 8.783 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.547 7.246 4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.549 8.837 3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.559 8.019 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.924 9.469 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.166 9.261 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.442 10.683 6.862 1.00 0.00 H new ATOM 272 N THR A 22 -1.039 7.300 6.076 1.00 0.00 N ATOM 273 CA THR A 22 -1.787 6.147 6.548 1.00 0.00 C ATOM 274 C THR A 22 -2.831 5.728 5.511 1.00 0.00 C ATOM 275 O THR A 22 -3.134 6.483 4.589 1.00 0.00 O ATOM 276 CB THR A 22 -2.391 6.500 7.909 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.123 7.698 7.664 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.330 6.914 8.931 1.00 0.00 C ATOM 0 H THR A 22 -1.535 8.189 6.147 1.00 0.00 H new ATOM 0 HA THR A 22 -1.138 5.281 6.679 1.00 0.00 H new ATOM 0 HB THR A 22 -2.949 5.645 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.149 8.238 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.812 7.154 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.627 6.094 9.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.794 7.790 8.565 1.00 0.00 H new ATOM 286 N LEU A 23 -3.352 4.524 5.697 1.00 0.00 N ATOM 287 CA LEU A 23 -4.356 3.995 4.789 1.00 0.00 C ATOM 288 C LEU A 23 -5.571 4.924 4.781 1.00 0.00 C ATOM 289 O LEU A 23 -5.963 5.431 3.731 1.00 0.00 O ATOM 290 CB LEU A 23 -4.692 2.546 5.147 1.00 0.00 C ATOM 291 CG LEU A 23 -4.778 1.568 3.974 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.746 2.078 2.905 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.390 1.277 3.400 1.00 0.00 C ATOM 0 H LEU A 23 -3.098 3.900 6.463 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.970 3.966 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.938 2.181 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.646 2.535 5.674 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.177 0.624 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.789 1.364 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.740 2.192 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.401 3.042 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.480 0.579 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.940 2.205 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.760 0.839 4.175 1.00 0.00 H new ATOM 305 N GLU A 24 -6.134 5.120 5.965 1.00 0.00 N ATOM 306 CA GLU A 24 -7.297 5.979 6.107 1.00 0.00 C ATOM 307 C GLU A 24 -7.055 7.320 5.410 1.00 0.00 C ATOM 308 O GLU A 24 -8.003 8.014 5.046 1.00 0.00 O ATOM 309 CB GLU A 24 -7.649 6.184 7.582 1.00 0.00 C ATOM 310 CG GLU A 24 -9.155 6.035 7.812 1.00 0.00 C ATOM 311 CD GLU A 24 -9.860 7.390 7.724 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.689 8.182 8.676 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.554 7.604 6.706 1.00 0.00 O ATOM 0 H GLU A 24 -5.806 4.699 6.834 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.146 5.491 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.111 5.459 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.325 7.174 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.574 5.354 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.335 5.590 8.791 1.00 0.00 H new ATOM 320 N ASN A 25 -5.781 7.643 5.244 1.00 0.00 N ATOM 321 CA ASN A 25 -5.403 8.887 4.597 1.00 0.00 C ATOM 322 C ASN A 25 -4.537 8.578 3.374 1.00 0.00 C ATOM 323 O ASN A 25 -3.381 8.994 3.306 1.00 0.00 O ATOM 324 CB ASN A 25 -4.588 9.774 5.541 1.00 0.00 C ATOM 325 CG ASN A 25 -5.225 9.826 6.931 1.00 0.00 C ATOM 326 OD1 ASN A 25 -4.349 9.948 7.923 1.00 0.00 O flip ATOM 327 ND2 ASN A 25 -6.433 9.759 7.091 1.00 0.00 N flip ATOM 0 H ASN A 25 -4.997 7.064 5.547 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.316 9.409 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.570 9.391 5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.519 10.781 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.050 9.666 6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.826 9.796 8.032 1.00 0.00 H new ATOM 334 N LEU A 26 -5.129 7.852 2.437 1.00 0.00 N ATOM 335 CA LEU A 26 -4.427 7.482 1.220 1.00 0.00 C ATOM 336 C LEU A 26 -4.718 8.519 0.134 1.00 0.00 C ATOM 337 O LEU A 26 -3.805 8.978 -0.552 1.00 0.00 O ATOM 338 CB LEU A 26 -4.777 6.050 0.813 1.00 0.00 C ATOM 339 CG LEU A 26 -3.606 5.175 0.363 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.067 4.114 -0.638 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.464 6.029 -0.191 1.00 0.00 C ATOM 0 H LEU A 26 -6.088 7.510 2.496 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.350 7.486 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.265 5.563 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.506 6.091 0.003 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.219 4.648 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.215 3.506 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.820 3.478 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.495 4.602 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.644 5.382 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.820 6.602 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.112 6.712 0.582 1.00 0.00 H new ATOM 353 N GLU A 27 -5.992 8.858 0.010 1.00 0.00 N ATOM 354 CA GLU A 27 -6.415 9.833 -0.981 1.00 0.00 C ATOM 355 C GLU A 27 -5.696 11.164 -0.757 1.00 0.00 C ATOM 356 O GLU A 27 -5.477 11.922 -1.701 1.00 0.00 O ATOM 357 CB GLU A 27 -7.934 10.018 -0.955 1.00 0.00 C ATOM 358 CG GLU A 27 -8.644 8.808 -1.565 1.00 0.00 C ATOM 359 CD GLU A 27 -9.598 9.238 -2.681 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.165 10.344 -2.549 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.739 8.451 -3.642 1.00 0.00 O ATOM 0 H GLU A 27 -6.746 8.475 0.580 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.145 9.459 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.269 10.161 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.204 10.919 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.906 8.110 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.199 8.279 -0.791 1.00 0.00 H new ATOM 368 N ASN A 28 -5.348 11.409 0.498 1.00 0.00 N ATOM 369 CA ASN A 28 -4.658 12.636 0.858 1.00 0.00 C ATOM 370 C ASN A 28 -3.225 12.305 1.280 1.00 0.00 C ATOM 371 O ASN A 28 -2.718 12.859 2.254 1.00 0.00 O ATOM 372 CB ASN A 28 -5.349 13.331 2.033 1.00 0.00 C ATOM 373 CG ASN A 28 -6.489 14.227 1.546 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.431 15.444 1.615 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.528 13.560 1.050 1.00 0.00 N ATOM 0 H ASN A 28 -5.531 10.778 1.278 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.669 13.297 -0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.739 12.584 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.623 13.928 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.340 14.068 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.513 12.541 1.021 1.00 0.00 H new ATOM 382 N LEU A 29 -2.613 11.403 0.527 1.00 0.00 N ATOM 383 CA LEU A 29 -1.249 10.992 0.811 1.00 0.00 C ATOM 384 C LEU A 29 -0.294 11.722 -0.135 1.00 0.00 C ATOM 385 O LEU A 29 -0.687 12.131 -1.227 1.00 0.00 O ATOM 386 CB LEU A 29 -1.126 9.468 0.754 1.00 0.00 C ATOM 387 CG LEU A 29 0.299 8.911 0.716 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.023 9.166 2.039 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.298 7.428 0.339 1.00 0.00 C ATOM 0 H LEU A 29 -3.037 10.945 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.970 11.273 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.635 9.049 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.657 9.113 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 29 0.852 9.440 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.033 8.760 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.072 10.239 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.480 8.681 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.323 7.057 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.277 6.866 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.152 7.303 -0.646 1.00 0.00 H new ATOM 401 N ASP A 30 0.944 11.863 0.317 1.00 0.00 N ATOM 402 CA ASP A 30 1.958 12.536 -0.475 1.00 0.00 C ATOM 403 C ASP A 30 3.098 11.559 -0.773 1.00 0.00 C ATOM 404 O ASP A 30 4.111 11.551 -0.076 1.00 0.00 O ATOM 405 CB ASP A 30 2.545 13.730 0.280 1.00 0.00 C ATOM 406 CG ASP A 30 3.642 14.492 -0.466 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.984 14.046 -1.582 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.115 15.502 0.098 1.00 0.00 O ATOM 0 H ASP A 30 1.267 11.522 1.222 1.00 0.00 H new ATOM 0 HA ASP A 30 1.489 12.886 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.738 14.424 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.950 13.377 1.229 1.00 0.00 H new ATOM 413 N VAL A 31 2.894 10.760 -1.810 1.00 0.00 N ATOM 414 CA VAL A 31 3.891 9.782 -2.209 1.00 0.00 C ATOM 415 C VAL A 31 5.241 10.480 -2.388 1.00 0.00 C ATOM 416 O VAL A 31 6.290 9.846 -2.291 1.00 0.00 O ATOM 417 CB VAL A 31 3.428 9.045 -3.467 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.168 10.026 -4.612 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.441 7.975 -3.880 1.00 0.00 C ATOM 0 H VAL A 31 2.052 10.770 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 31 4.016 9.026 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 31 2.488 8.544 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.840 9.477 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.393 10.733 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.085 10.568 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.088 7.466 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.403 8.445 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.555 7.251 -3.073 1.00 0.00 H new ATOM 429 N SER A 32 5.170 11.778 -2.646 1.00 0.00 N ATOM 430 CA SER A 32 6.373 12.569 -2.839 1.00 0.00 C ATOM 431 C SER A 32 6.875 13.096 -1.493 1.00 0.00 C ATOM 432 O SER A 32 7.629 14.067 -1.445 1.00 0.00 O ATOM 433 CB SER A 32 6.120 13.731 -3.803 1.00 0.00 C ATOM 434 OG SER A 32 6.935 13.645 -4.968 1.00 0.00 O ATOM 0 H SER A 32 4.298 12.301 -2.726 1.00 0.00 H new ATOM 0 HA SER A 32 7.137 11.927 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.070 13.738 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.315 14.674 -3.293 1.00 0.00 H new ATOM 0 HG SER A 32 6.743 14.403 -5.558 1.00 0.00 H new ATOM 440 N ALA A 33 6.437 12.433 -0.434 1.00 0.00 N ATOM 441 CA ALA A 33 6.833 12.822 0.909 1.00 0.00 C ATOM 442 C ALA A 33 7.852 11.816 1.448 1.00 0.00 C ATOM 443 O ALA A 33 8.846 12.202 2.060 1.00 0.00 O ATOM 444 CB ALA A 33 5.591 12.926 1.797 1.00 0.00 C ATOM 0 H ALA A 33 5.811 11.629 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 33 7.311 13.802 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.887 13.218 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.912 13.674 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.087 11.960 1.832 1.00 0.00 H new ATOM 450 N PHE A 34 7.569 10.545 1.200 1.00 0.00 N ATOM 451 CA PHE A 34 8.449 9.481 1.652 1.00 0.00 C ATOM 452 C PHE A 34 9.876 9.696 1.143 1.00 0.00 C ATOM 453 O PHE A 34 10.105 9.763 -0.063 1.00 0.00 O ATOM 454 CB PHE A 34 7.905 8.174 1.073 1.00 0.00 C ATOM 455 CG PHE A 34 6.449 7.887 1.445 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.143 7.421 2.686 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.460 8.099 0.536 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.792 7.154 3.031 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.109 7.832 0.881 1.00 0.00 C ATOM 460 CZ PHE A 34 3.803 7.366 2.121 1.00 0.00 C ATOM 0 H PHE A 34 6.743 10.229 0.692 1.00 0.00 H new ATOM 0 HA PHE A 34 8.480 9.461 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.992 8.206 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.527 7.349 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.928 7.254 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.702 8.471 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.549 6.783 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.324 7.999 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.775 7.164 2.384 1.00 0.00 H new ATOM 470 N GLN A 35 10.799 9.798 2.089 1.00 0.00 N ATOM 471 CA GLN A 35 12.197 10.004 1.751 1.00 0.00 C ATOM 472 C GLN A 35 12.840 8.682 1.326 1.00 0.00 C ATOM 473 O GLN A 35 14.015 8.648 0.965 1.00 0.00 O ATOM 474 CB GLN A 35 12.957 10.632 2.921 1.00 0.00 C ATOM 475 CG GLN A 35 12.156 11.778 3.543 1.00 0.00 C ATOM 476 CD GLN A 35 12.785 13.132 3.206 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.353 13.335 2.145 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.653 14.043 4.165 1.00 0.00 N ATOM 0 H GLN A 35 10.606 9.742 3.089 1.00 0.00 H new ATOM 0 HA GLN A 35 12.250 10.698 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.160 9.873 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.922 11.003 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.129 11.749 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.114 11.652 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.166 13.807 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.039 14.978 4.037 1.00 0.00 H new ATOM 487 N ALA A 36 12.041 7.627 1.383 1.00 0.00 N ATOM 488 CA ALA A 36 12.518 6.306 1.008 1.00 0.00 C ATOM 489 C ALA A 36 13.349 6.413 -0.273 1.00 0.00 C ATOM 490 O ALA A 36 13.294 7.426 -0.969 1.00 0.00 O ATOM 491 CB ALA A 36 11.327 5.358 0.853 1.00 0.00 C ATOM 0 H ALA A 36 11.067 7.660 1.683 1.00 0.00 H new ATOM 0 HA ALA A 36 13.162 5.896 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.685 4.367 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.787 5.294 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.659 5.736 0.079 1.00 0.00 H new ATOM 497 N PRO A 37 14.118 5.327 -0.551 1.00 0.00 N ATOM 498 CA PRO A 37 14.958 5.289 -1.736 1.00 0.00 C ATOM 499 C PRO A 37 14.120 5.062 -2.996 1.00 0.00 C ATOM 500 O PRO A 37 12.999 4.562 -2.918 1.00 0.00 O ATOM 501 CB PRO A 37 15.954 4.171 -1.476 1.00 0.00 C ATOM 502 CG PRO A 37 15.349 3.322 -0.370 1.00 0.00 C ATOM 503 CD PRO A 37 14.207 4.110 0.251 1.00 0.00 C ATOM 0 HA PRO A 37 15.475 6.232 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.120 3.579 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.922 4.572 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.986 2.375 -0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.101 3.083 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.274 3.547 0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.407 4.339 1.298 1.00 0.00 H new ATOM 511 N GLU A 38 14.697 5.441 -4.127 1.00 0.00 N ATOM 512 CA GLU A 38 14.017 5.285 -5.402 1.00 0.00 C ATOM 513 C GLU A 38 14.100 3.832 -5.873 1.00 0.00 C ATOM 514 O GLU A 38 13.607 3.495 -6.949 1.00 0.00 O ATOM 515 CB GLU A 38 14.596 6.236 -6.452 1.00 0.00 C ATOM 516 CG GLU A 38 13.891 7.593 -6.410 1.00 0.00 C ATOM 517 CD GLU A 38 13.302 7.947 -7.777 1.00 0.00 C ATOM 518 OE1 GLU A 38 14.106 8.071 -8.726 1.00 0.00 O ATOM 519 OE2 GLU A 38 12.062 8.086 -7.842 1.00 0.00 O ATOM 0 H GLU A 38 15.627 5.855 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 38 12.967 5.543 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.663 6.371 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.489 5.797 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.098 7.572 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.597 8.365 -6.103 1.00 0.00 H new ATOM 526 N ASP A 39 14.727 3.009 -5.045 1.00 0.00 N ATOM 527 CA ASP A 39 14.881 1.600 -5.364 1.00 0.00 C ATOM 528 C ASP A 39 14.357 0.758 -4.199 1.00 0.00 C ATOM 529 O ASP A 39 14.698 -0.417 -4.075 1.00 0.00 O ATOM 530 CB ASP A 39 16.352 1.242 -5.582 1.00 0.00 C ATOM 531 CG ASP A 39 17.244 2.407 -6.015 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.421 3.325 -5.184 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.729 2.354 -7.166 1.00 0.00 O ATOM 0 H ASP A 39 15.134 3.291 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 39 14.322 1.398 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.749 0.824 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.412 0.458 -6.337 1.00 0.00 H new ATOM 538 N LEU A 40 13.537 1.392 -3.374 1.00 0.00 N ATOM 539 CA LEU A 40 12.963 0.716 -2.223 1.00 0.00 C ATOM 540 C LEU A 40 12.553 -0.703 -2.623 1.00 0.00 C ATOM 541 O LEU A 40 13.044 -1.678 -2.056 1.00 0.00 O ATOM 542 CB LEU A 40 11.820 1.543 -1.631 1.00 0.00 C ATOM 543 CG LEU A 40 11.165 0.976 -0.370 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.199 0.763 0.737 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.006 1.861 0.092 1.00 0.00 C ATOM 0 H LEU A 40 13.256 2.367 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 40 13.703 0.622 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.199 2.539 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.051 1.662 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 40 10.747 -0.001 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.707 0.359 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.960 0.062 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.668 1.715 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.558 1.435 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.378 2.862 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.255 1.918 -0.696 1.00 0.00 H new ATOM 557 N LEU A 41 11.656 -0.774 -3.596 1.00 0.00 N ATOM 558 CA LEU A 41 11.174 -2.057 -4.077 1.00 0.00 C ATOM 559 C LEU A 41 11.889 -2.407 -5.384 1.00 0.00 C ATOM 560 O LEU A 41 11.255 -2.511 -6.434 1.00 0.00 O ATOM 561 CB LEU A 41 9.649 -2.047 -4.194 1.00 0.00 C ATOM 562 CG LEU A 41 8.903 -1.190 -3.169 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.615 -0.619 -3.766 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.640 -1.977 -1.884 1.00 0.00 C ATOM 0 H LEU A 41 11.251 0.037 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 41 11.410 -2.845 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.383 -1.698 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.291 -3.073 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 41 9.537 -0.344 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.104 -0.014 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.858 0.001 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.965 -1.436 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.109 -1.345 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.035 -2.854 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.589 -2.293 -1.450 1.00 0.00 H new ATOM 576 N ASP A 42 13.198 -2.579 -5.278 1.00 0.00 N ATOM 577 CA ASP A 42 14.005 -2.915 -6.438 1.00 0.00 C ATOM 578 C ASP A 42 13.784 -4.385 -6.800 1.00 0.00 C ATOM 579 O ASP A 42 13.990 -5.270 -5.970 1.00 0.00 O ATOM 580 CB ASP A 42 15.495 -2.719 -6.149 1.00 0.00 C ATOM 581 CG ASP A 42 16.439 -3.539 -7.031 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.257 -3.479 -8.266 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.321 -4.207 -6.449 1.00 0.00 O ATOM 0 H ASP A 42 13.720 -2.492 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 42 13.707 -2.260 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.737 -1.663 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.684 -2.974 -5.106 1.00 0.00 H new ATOM 588 N GLY A 43 13.368 -4.601 -8.039 1.00 0.00 N ATOM 589 CA GLY A 43 13.116 -5.948 -8.520 1.00 0.00 C ATOM 590 C GLY A 43 12.064 -6.650 -7.660 1.00 0.00 C ATOM 591 O GLY A 43 12.166 -7.849 -7.402 1.00 0.00 O ATOM 0 H GLY A 43 13.199 -3.865 -8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.778 -5.911 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.043 -6.522 -8.507 1.00 0.00 H new ATOM 595 N CYS A 44 11.076 -5.874 -7.239 1.00 0.00 N ATOM 596 CA CYS A 44 10.006 -6.407 -6.413 1.00 0.00 C ATOM 597 C CYS A 44 8.674 -6.124 -7.111 1.00 0.00 C ATOM 598 O CYS A 44 8.239 -4.976 -7.186 1.00 0.00 O ATOM 599 CB CYS A 44 10.042 -5.827 -4.997 1.00 0.00 C ATOM 600 SG CYS A 44 11.685 -6.118 -4.244 1.00 0.00 S ATOM 0 H CYS A 44 10.994 -4.880 -7.454 1.00 0.00 H new ATOM 0 HA CYS A 44 10.134 -7.483 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.831 -4.758 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.266 -6.288 -4.386 1.00 0.00 H new ATOM 0 HG CYS A 44 12.613 -5.883 -5.123 1.00 0.00 H new ATOM 606 N ARG A 45 8.063 -7.191 -7.605 1.00 0.00 N ATOM 607 CA ARG A 45 6.789 -7.073 -8.294 1.00 0.00 C ATOM 608 C ARG A 45 5.634 -7.177 -7.296 1.00 0.00 C ATOM 609 O ARG A 45 5.551 -8.140 -6.535 1.00 0.00 O ATOM 610 CB ARG A 45 6.635 -8.161 -9.358 1.00 0.00 C ATOM 611 CG ARG A 45 7.607 -7.935 -10.518 1.00 0.00 C ATOM 612 CD ARG A 45 7.831 -9.228 -11.305 1.00 0.00 C ATOM 613 NE ARG A 45 9.039 -9.921 -10.807 1.00 0.00 N ATOM 614 CZ ARG A 45 10.279 -9.418 -10.882 1.00 0.00 C ATOM 615 NH1 ARG A 45 10.481 -8.215 -11.436 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.317 -10.118 -10.403 1.00 0.00 N ATOM 0 H ARG A 45 8.427 -8.142 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 45 6.765 -6.099 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.816 -9.139 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.611 -8.166 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.214 -7.165 -11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.559 -7.569 -10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.962 -9.879 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.942 -9.003 -12.366 1.00 0.00 H new ATOM 0 HE ARG A 45 8.921 -10.840 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.691 -7.682 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.425 -7.832 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.163 -11.034 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.261 -9.735 -10.460 1.00 0.00 H new ATOM 630 N ILE A 46 4.770 -6.173 -7.333 1.00 0.00 N ATOM 631 CA ILE A 46 3.624 -6.140 -6.441 1.00 0.00 C ATOM 632 C ILE A 46 2.347 -5.968 -7.266 1.00 0.00 C ATOM 633 O ILE A 46 2.364 -5.329 -8.317 1.00 0.00 O ATOM 634 CB ILE A 46 3.811 -5.066 -5.367 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.233 -5.096 -4.804 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.756 -5.201 -4.267 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.954 -3.772 -5.063 1.00 0.00 C ATOM 0 H ILE A 46 4.841 -5.377 -7.967 1.00 0.00 H new ATOM 0 HA ILE A 46 3.533 -7.083 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 46 3.669 -4.090 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.199 -5.292 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.791 -5.913 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.912 -4.426 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.762 -5.092 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.842 -6.182 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.963 -3.821 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.007 -3.591 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.406 -2.960 -4.585 1.00 0.00 H new ATOM 649 N TYR A 47 1.270 -6.549 -6.759 1.00 0.00 N ATOM 650 CA TYR A 47 -0.014 -6.468 -7.436 1.00 0.00 C ATOM 651 C TYR A 47 -1.023 -5.674 -6.604 1.00 0.00 C ATOM 652 O TYR A 47 -1.349 -6.060 -5.482 1.00 0.00 O ATOM 653 CB TYR A 47 -0.508 -7.909 -7.576 1.00 0.00 C ATOM 654 CG TYR A 47 -1.880 -8.035 -8.241 1.00 0.00 C ATOM 655 CD1 TYR A 47 -1.981 -8.054 -9.617 1.00 0.00 C ATOM 656 CD2 TYR A 47 -3.017 -8.129 -7.465 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.272 -8.172 -10.243 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.309 -8.246 -8.091 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.372 -8.262 -9.449 1.00 0.00 C ATOM 660 OH TYR A 47 -5.592 -8.373 -10.040 1.00 0.00 O ATOM 0 H TYR A 47 1.260 -7.078 -5.887 1.00 0.00 H new ATOM 0 HA TYR A 47 0.090 -5.966 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.219 -8.477 -8.157 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.552 -8.365 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.091 -7.980 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.938 -8.115 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.365 -8.189 -11.319 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.207 -8.319 -7.495 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.558 -9.064 -10.734 1.00 0.00 H new ATOM 670 N LEU A 48 -1.490 -4.580 -7.187 1.00 0.00 N ATOM 671 CA LEU A 48 -2.456 -3.728 -6.513 1.00 0.00 C ATOM 672 C LEU A 48 -3.858 -4.314 -6.693 1.00 0.00 C ATOM 673 O LEU A 48 -4.320 -4.495 -7.818 1.00 0.00 O ATOM 674 CB LEU A 48 -2.327 -2.283 -6.999 1.00 0.00 C ATOM 675 CG LEU A 48 -1.114 -1.507 -6.481 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.094 -0.083 -7.040 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.066 -1.523 -4.951 1.00 0.00 C ATOM 0 H LEU A 48 -1.218 -4.264 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.256 -3.699 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.292 -2.289 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.229 -1.742 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.212 -2.005 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.222 0.446 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.046 -0.120 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.000 0.441 -6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.195 -0.965 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.971 -1.063 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.998 -2.553 -4.600 1.00 0.00 H new ATOM 689 N CYS A 49 -4.497 -4.593 -5.566 1.00 0.00 N ATOM 690 CA CYS A 49 -5.837 -5.155 -5.584 1.00 0.00 C ATOM 691 C CYS A 49 -6.726 -4.306 -4.674 1.00 0.00 C ATOM 692 O CYS A 49 -6.253 -3.744 -3.687 1.00 0.00 O ATOM 693 CB CYS A 49 -5.839 -6.628 -5.171 1.00 0.00 C ATOM 694 SG CYS A 49 -4.328 -7.011 -4.211 1.00 0.00 S ATOM 0 H CYS A 49 -4.111 -4.440 -4.634 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.230 -5.131 -6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.724 -6.845 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.888 -7.262 -6.056 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.282 -6.612 -4.871 1.00 0.00 H new ATOM 700 N GLY A 50 -7.998 -4.239 -5.038 1.00 0.00 N ATOM 701 CA GLY A 50 -8.958 -3.468 -4.266 1.00 0.00 C ATOM 702 C GLY A 50 -8.545 -1.996 -4.190 1.00 0.00 C ATOM 703 O GLY A 50 -8.716 -1.352 -3.157 1.00 0.00 O ATOM 0 H GLY A 50 -8.386 -4.706 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.945 -3.549 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.036 -3.880 -3.260 1.00 0.00 H new ATOM 707 N PHE A 51 -8.009 -1.507 -5.299 1.00 0.00 N ATOM 708 CA PHE A 51 -7.570 -0.124 -5.372 1.00 0.00 C ATOM 709 C PHE A 51 -7.975 0.511 -6.704 1.00 0.00 C ATOM 710 O PHE A 51 -7.560 0.050 -7.766 1.00 0.00 O ATOM 711 CB PHE A 51 -6.044 -0.133 -5.268 1.00 0.00 C ATOM 712 CG PHE A 51 -5.518 -0.290 -3.840 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.923 0.571 -2.868 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.646 -1.290 -3.542 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.436 0.425 -1.542 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.158 -1.435 -2.216 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.563 -0.575 -1.244 1.00 0.00 C ATOM 0 H PHE A 51 -7.869 -2.044 -6.155 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.029 0.454 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.653 -0.946 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.656 0.796 -5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.615 1.366 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.325 -1.974 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.759 1.108 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.465 -2.229 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.192 -0.686 -0.236 1.00 0.00 H new ATOM 727 N SER A 52 -8.781 1.558 -6.603 1.00 0.00 N ATOM 728 CA SER A 52 -9.246 2.260 -7.786 1.00 0.00 C ATOM 729 C SER A 52 -9.017 3.764 -7.626 1.00 0.00 C ATOM 730 O SER A 52 -8.212 4.353 -8.346 1.00 0.00 O ATOM 731 CB SER A 52 -10.726 1.974 -8.050 1.00 0.00 C ATOM 732 OG SER A 52 -10.938 1.402 -9.338 1.00 0.00 O ATOM 0 H SER A 52 -9.123 1.937 -5.720 1.00 0.00 H new ATOM 0 HA SER A 52 -8.676 1.901 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.106 1.297 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.295 2.900 -7.967 1.00 0.00 H new ATOM 0 HG SER A 52 -11.895 1.233 -9.467 1.00 0.00 H new ATOM 738 N GLY A 53 -9.739 4.343 -6.678 1.00 0.00 N ATOM 739 CA GLY A 53 -9.624 5.767 -6.414 1.00 0.00 C ATOM 740 C GLY A 53 -8.166 6.165 -6.178 1.00 0.00 C ATOM 741 O GLY A 53 -7.257 5.363 -6.389 1.00 0.00 O ATOM 0 H GLY A 53 -10.406 3.852 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.027 6.330 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.222 6.028 -5.541 1.00 0.00 H new ATOM 745 N ARG A 54 -7.987 7.404 -5.743 1.00 0.00 N ATOM 746 CA ARG A 54 -6.654 7.918 -5.476 1.00 0.00 C ATOM 747 C ARG A 54 -5.786 6.835 -4.833 1.00 0.00 C ATOM 748 O ARG A 54 -4.590 6.751 -5.104 1.00 0.00 O ATOM 749 CB ARG A 54 -6.709 9.135 -4.550 1.00 0.00 C ATOM 750 CG ARG A 54 -7.175 10.380 -5.307 1.00 0.00 C ATOM 751 CD ARG A 54 -7.338 11.570 -4.359 1.00 0.00 C ATOM 752 NE ARG A 54 -8.496 12.392 -4.773 1.00 0.00 N ATOM 753 CZ ARG A 54 -8.646 13.688 -4.466 1.00 0.00 C ATOM 754 NH1 ARG A 54 -7.711 14.316 -3.739 1.00 0.00 N ATOM 755 NH2 ARG A 54 -9.729 14.355 -4.884 1.00 0.00 N ATOM 0 H ARG A 54 -8.743 8.067 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.218 8.219 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.387 8.935 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.723 9.314 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.454 10.627 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.123 10.174 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.480 11.215 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.432 12.176 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.226 11.944 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.886 13.808 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.824 15.302 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.441 13.877 -5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.842 15.341 -4.650 1.00 0.00 H new ATOM 769 N LYS A 55 -6.423 6.033 -3.993 1.00 0.00 N ATOM 770 CA LYS A 55 -5.724 4.958 -3.308 1.00 0.00 C ATOM 771 C LYS A 55 -4.771 4.271 -4.288 1.00 0.00 C ATOM 772 O LYS A 55 -3.591 4.093 -3.990 1.00 0.00 O ATOM 773 CB LYS A 55 -6.723 4.004 -2.650 1.00 0.00 C ATOM 774 CG LYS A 55 -7.582 4.736 -1.618 1.00 0.00 C ATOM 775 CD LYS A 55 -7.979 3.803 -0.472 1.00 0.00 C ATOM 776 CE LYS A 55 -7.815 4.495 0.882 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.041 4.339 1.696 1.00 0.00 N ATOM 0 H LYS A 55 -7.416 6.106 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.115 5.355 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.363 3.560 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.187 3.186 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.032 5.590 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.478 5.129 -2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.014 3.486 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.364 2.904 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.963 4.071 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.603 5.554 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.912 4.815 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.847 4.765 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.226 3.328 1.854 1.00 0.00 H new ATOM 791 N LEU A 56 -5.319 3.902 -5.437 1.00 0.00 N ATOM 792 CA LEU A 56 -4.532 3.238 -6.462 1.00 0.00 C ATOM 793 C LEU A 56 -3.457 4.198 -6.975 1.00 0.00 C ATOM 794 O LEU A 56 -2.265 3.910 -6.878 1.00 0.00 O ATOM 795 CB LEU A 56 -5.441 2.688 -7.563 1.00 0.00 C ATOM 796 CG LEU A 56 -4.751 1.870 -8.656 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.728 0.904 -8.055 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.778 1.147 -9.530 1.00 0.00 C ATOM 0 H LEU A 56 -6.298 4.050 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.016 2.373 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.205 2.065 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.956 3.526 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.204 2.556 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.252 0.335 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.971 1.468 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.231 0.220 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.261 0.573 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.372 0.474 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.433 1.879 -10.002 1.00 0.00 H new ATOM 810 N ASP A 57 -3.917 5.320 -7.511 1.00 0.00 N ATOM 811 CA ASP A 57 -3.009 6.324 -8.039 1.00 0.00 C ATOM 812 C ASP A 57 -1.790 6.436 -7.122 1.00 0.00 C ATOM 813 O ASP A 57 -0.652 6.371 -7.586 1.00 0.00 O ATOM 814 CB ASP A 57 -3.682 7.697 -8.101 1.00 0.00 C ATOM 815 CG ASP A 57 -2.736 8.868 -8.372 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.296 8.985 -9.536 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.476 9.622 -7.409 1.00 0.00 O ATOM 0 H ASP A 57 -4.906 5.555 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.717 6.019 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.444 7.677 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.197 7.876 -7.157 1.00 0.00 H new ATOM 822 N LYS A 58 -2.068 6.602 -5.838 1.00 0.00 N ATOM 823 CA LYS A 58 -1.008 6.724 -4.852 1.00 0.00 C ATOM 824 C LYS A 58 -0.022 5.566 -5.023 1.00 0.00 C ATOM 825 O LYS A 58 1.107 5.768 -5.467 1.00 0.00 O ATOM 826 CB LYS A 58 -1.596 6.827 -3.443 1.00 0.00 C ATOM 827 CG LYS A 58 -2.335 8.153 -3.253 1.00 0.00 C ATOM 828 CD LYS A 58 -1.351 9.308 -3.063 1.00 0.00 C ATOM 829 CE LYS A 58 -2.069 10.658 -3.126 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.208 11.673 -3.772 1.00 0.00 N ATOM 0 H LYS A 58 -3.013 6.655 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.448 7.646 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.281 5.997 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.798 6.742 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.967 8.348 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.993 8.085 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.846 9.205 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.582 9.265 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.001 10.555 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.333 10.984 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.802 12.364 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.645 12.162 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.571 11.207 -4.450 1.00 0.00 H new ATOM 844 N LEU A 59 -0.486 4.378 -4.663 1.00 0.00 N ATOM 845 CA LEU A 59 0.341 3.188 -4.771 1.00 0.00 C ATOM 846 C LEU A 59 1.136 3.242 -6.077 1.00 0.00 C ATOM 847 O LEU A 59 2.366 3.208 -6.062 1.00 0.00 O ATOM 848 CB LEU A 59 -0.513 1.927 -4.623 1.00 0.00 C ATOM 849 CG LEU A 59 -0.676 1.391 -3.200 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.169 2.404 -2.171 1.00 0.00 C ATOM 851 CD2 LEU A 59 -2.125 0.979 -2.932 1.00 0.00 C ATOM 0 H LEU A 59 -1.424 4.214 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 59 1.065 3.152 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.504 2.134 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.075 1.141 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.063 0.496 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.296 1.998 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.887 2.606 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.736 3.330 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.213 0.601 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.778 1.843 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.417 0.199 -3.635 1.00 0.00 H new ATOM 863 N ARG A 60 0.402 3.326 -7.177 1.00 0.00 N ATOM 864 CA ARG A 60 1.023 3.386 -8.489 1.00 0.00 C ATOM 865 C ARG A 60 2.274 4.266 -8.445 1.00 0.00 C ATOM 866 O ARG A 60 3.313 3.902 -8.993 1.00 0.00 O ATOM 867 CB ARG A 60 0.054 3.942 -9.534 1.00 0.00 C ATOM 868 CG ARG A 60 -0.886 2.849 -10.046 1.00 0.00 C ATOM 869 CD ARG A 60 -1.974 3.439 -10.946 1.00 0.00 C ATOM 870 NE ARG A 60 -1.465 3.584 -12.328 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.138 4.187 -13.317 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.352 4.705 -13.083 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.598 4.272 -14.540 1.00 0.00 N ATOM 0 H ARG A 60 -0.618 3.354 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 60 1.299 2.370 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.529 4.754 -9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.615 4.364 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.315 2.104 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.346 2.335 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.852 2.794 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.288 4.409 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.544 3.201 -12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.763 4.640 -12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.864 5.164 -13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.674 3.878 -14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.110 4.731 -15.293 1.00 0.00 H new ATOM 887 N ARG A 61 2.133 5.407 -7.786 1.00 0.00 N ATOM 888 CA ARG A 61 3.239 6.341 -7.663 1.00 0.00 C ATOM 889 C ARG A 61 4.273 5.811 -6.669 1.00 0.00 C ATOM 890 O ARG A 61 5.476 5.887 -6.919 1.00 0.00 O ATOM 891 CB ARG A 61 2.750 7.714 -7.198 1.00 0.00 C ATOM 892 CG ARG A 61 2.117 8.492 -8.353 1.00 0.00 C ATOM 893 CD ARG A 61 1.910 9.961 -7.977 1.00 0.00 C ATOM 894 NE ARG A 61 1.839 10.791 -9.200 1.00 0.00 N ATOM 895 CZ ARG A 61 2.910 11.207 -9.889 1.00 0.00 C ATOM 896 NH1 ARG A 61 4.141 10.873 -9.480 1.00 0.00 N ATOM 897 NH2 ARG A 61 2.750 11.958 -10.988 1.00 0.00 N ATOM 0 H ARG A 61 1.270 5.706 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 61 3.697 6.445 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.023 7.592 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.585 8.281 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.755 8.425 -9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.160 8.042 -8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.992 10.071 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.729 10.302 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 61 0.917 11.064 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.263 10.302 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.956 11.190 -10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.813 12.213 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.566 12.275 -11.512 1.00 0.00 H new ATOM 911 N LEU A 62 3.769 5.287 -5.562 1.00 0.00 N ATOM 912 CA LEU A 62 4.634 4.744 -4.528 1.00 0.00 C ATOM 913 C LEU A 62 5.477 3.612 -5.118 1.00 0.00 C ATOM 914 O LEU A 62 6.695 3.738 -5.240 1.00 0.00 O ATOM 915 CB LEU A 62 3.814 4.328 -3.306 1.00 0.00 C ATOM 916 CG LEU A 62 3.611 5.404 -2.237 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.284 6.138 -2.442 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.724 4.808 -0.832 1.00 0.00 C ATOM 0 H LEU A 62 2.771 5.227 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 62 5.327 5.506 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.834 3.993 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.300 3.470 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 62 4.406 6.142 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.165 6.897 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.279 6.615 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.461 5.426 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.576 5.593 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.964 4.038 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.713 4.368 -0.702 1.00 0.00 H new ATOM 930 N ILE A 63 4.796 2.531 -5.468 1.00 0.00 N ATOM 931 CA ILE A 63 5.467 1.377 -6.041 1.00 0.00 C ATOM 932 C ILE A 63 6.577 1.852 -6.980 1.00 0.00 C ATOM 933 O ILE A 63 7.738 1.481 -6.813 1.00 0.00 O ATOM 934 CB ILE A 63 4.454 0.445 -6.710 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.528 -0.194 -5.672 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.159 -0.604 -7.572 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.188 -0.584 -6.298 1.00 0.00 C ATOM 0 H ILE A 63 3.786 2.430 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 63 5.942 0.786 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 63 3.829 1.041 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.006 -1.077 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.361 0.503 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.416 -1.253 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.741 -0.106 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.823 -1.201 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.549 -1.036 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.701 0.305 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.357 -1.300 -7.103 1.00 0.00 H new ATOM 949 N ASN A 64 6.182 2.667 -7.948 1.00 0.00 N ATOM 950 CA ASN A 64 7.129 3.197 -8.913 1.00 0.00 C ATOM 951 C ASN A 64 8.227 3.966 -8.175 1.00 0.00 C ATOM 952 O ASN A 64 9.409 3.812 -8.478 1.00 0.00 O ATOM 953 CB ASN A 64 6.445 4.162 -9.883 1.00 0.00 C ATOM 954 CG ASN A 64 6.606 3.692 -11.330 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.371 4.239 -12.107 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.845 2.648 -11.648 1.00 0.00 N ATOM 0 H ASN A 64 5.218 2.973 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 64 7.545 2.359 -9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.386 4.239 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.872 5.159 -9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.881 2.259 -12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.226 2.237 -10.950 1.00 0.00 H new ATOM 963 N SER A 65 7.796 4.779 -7.221 1.00 0.00 N ATOM 964 CA SER A 65 8.727 5.573 -6.438 1.00 0.00 C ATOM 965 C SER A 65 9.713 4.657 -5.710 1.00 0.00 C ATOM 966 O SER A 65 10.865 5.028 -5.491 1.00 0.00 O ATOM 967 CB SER A 65 7.986 6.459 -5.434 1.00 0.00 C ATOM 968 OG SER A 65 8.884 7.193 -4.606 1.00 0.00 O ATOM 0 H SER A 65 6.815 4.905 -6.973 1.00 0.00 H new ATOM 0 HA SER A 65 9.278 6.222 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.339 7.152 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.342 5.840 -4.810 1.00 0.00 H new ATOM 0 HG SER A 65 8.373 7.747 -3.980 1.00 0.00 H new ATOM 974 N GLY A 66 9.225 3.477 -5.357 1.00 0.00 N ATOM 975 CA GLY A 66 10.049 2.504 -4.659 1.00 0.00 C ATOM 976 C GLY A 66 10.894 1.695 -5.644 1.00 0.00 C ATOM 977 O GLY A 66 11.896 1.093 -5.259 1.00 0.00 O ATOM 0 H GLY A 66 8.269 3.172 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.700 3.015 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.414 1.832 -4.081 1.00 0.00 H new ATOM 981 N GLY A 67 10.459 1.705 -6.895 1.00 0.00 N ATOM 982 CA GLY A 67 11.163 0.978 -7.938 1.00 0.00 C ATOM 983 C GLY A 67 10.455 -0.338 -8.264 1.00 0.00 C ATOM 984 O GLY A 67 10.755 -0.975 -9.272 1.00 0.00 O ATOM 0 H GLY A 67 9.628 2.205 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.226 1.593 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.185 0.775 -7.618 1.00 0.00 H new ATOM 988 N GLY A 68 9.528 -0.706 -7.391 1.00 0.00 N ATOM 989 CA GLY A 68 8.775 -1.935 -7.573 1.00 0.00 C ATOM 990 C GLY A 68 7.907 -1.865 -8.832 1.00 0.00 C ATOM 991 O GLY A 68 7.640 -0.780 -9.346 1.00 0.00 O ATOM 0 H GLY A 68 9.282 -0.174 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.461 -2.779 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.145 -2.112 -6.702 1.00 0.00 H new ATOM 995 N VAL A 69 7.491 -3.036 -9.291 1.00 0.00 N ATOM 996 CA VAL A 69 6.660 -3.121 -10.480 1.00 0.00 C ATOM 997 C VAL A 69 5.233 -3.496 -10.073 1.00 0.00 C ATOM 998 O VAL A 69 5.014 -4.534 -9.450 1.00 0.00 O ATOM 999 CB VAL A 69 7.274 -4.103 -11.479 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.257 -4.502 -12.551 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.539 -3.521 -12.113 1.00 0.00 C ATOM 0 H VAL A 69 7.714 -3.934 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 69 6.612 -2.155 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 69 7.557 -5.003 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.719 -5.201 -13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.397 -4.976 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.930 -3.613 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.956 -4.239 -12.819 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.292 -2.598 -12.638 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.272 -3.310 -11.335 1.00 0.00 H new ATOM 1011 N ARG A 70 4.300 -2.630 -10.440 1.00 0.00 N ATOM 1012 CA ARG A 70 2.901 -2.857 -10.121 1.00 0.00 C ATOM 1013 C ARG A 70 2.225 -3.655 -11.238 1.00 0.00 C ATOM 1014 O ARG A 70 2.001 -3.134 -12.330 1.00 0.00 O ATOM 1015 CB ARG A 70 2.158 -1.533 -9.928 1.00 0.00 C ATOM 1016 CG ARG A 70 0.663 -1.771 -9.706 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.176 -0.809 -10.549 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.439 -1.464 -10.958 1.00 0.00 N ATOM 1019 CZ ARG A 70 -2.250 -0.998 -11.918 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -1.936 0.128 -12.572 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -3.375 -1.659 -12.223 1.00 0.00 N ATOM 0 H ARG A 70 4.486 -1.770 -10.955 1.00 0.00 H new ATOM 0 HA ARG A 70 2.861 -3.422 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.576 -0.999 -9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.303 -0.899 -10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.413 -2.800 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.423 -1.640 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.393 0.094 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.386 -0.501 -11.431 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.709 -2.323 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.080 0.631 -12.339 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.553 0.482 -13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.614 -2.516 -11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.993 -1.305 -12.953 1.00 0.00 H new ATOM 1035 N PHE A 71 1.918 -4.905 -10.926 1.00 0.00 N ATOM 1036 CA PHE A 71 1.271 -5.780 -11.889 1.00 0.00 C ATOM 1037 C PHE A 71 -0.248 -5.605 -11.856 1.00 0.00 C ATOM 1038 O PHE A 71 -0.889 -5.904 -10.849 1.00 0.00 O ATOM 1039 CB PHE A 71 1.616 -7.216 -11.491 1.00 0.00 C ATOM 1040 CG PHE A 71 2.647 -7.885 -12.403 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.850 -7.290 -12.619 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.359 -9.074 -12.998 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.807 -7.911 -13.466 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.315 -9.694 -13.845 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.519 -9.099 -14.061 1.00 0.00 C ATOM 0 H PHE A 71 2.105 -5.333 -10.019 1.00 0.00 H new ATOM 0 HA PHE A 71 1.615 -5.543 -12.896 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.995 -7.218 -10.469 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.703 -7.812 -11.493 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.078 -6.346 -12.147 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.403 -9.546 -12.826 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.763 -7.439 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.086 -10.638 -14.318 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.246 -9.570 -14.705 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.781 -5.121 -12.968 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.213 -4.902 -13.079 1.00 0.00 C ATOM 1057 C ASN A 72 -2.921 -6.251 -13.223 1.00 0.00 C ATOM 1058 O ASN A 72 -4.148 -6.321 -13.175 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.548 -4.058 -14.310 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.829 -4.590 -15.552 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -0.853 -5.318 -15.471 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -2.363 -4.187 -16.701 1.00 0.00 N ATOM 0 H ASN A 72 -0.246 -4.874 -13.801 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.544 -4.378 -12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.625 -4.065 -14.478 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.259 -3.022 -14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.955 -4.488 -17.586 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.181 -3.577 -16.697 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.116 -7.290 -13.398 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.650 -8.632 -13.550 1.00 0.00 C ATOM 1071 C GLN A 73 -1.958 -9.592 -12.580 1.00 0.00 C ATOM 1072 O GLN A 73 -0.743 -9.526 -12.398 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.511 -9.118 -14.995 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.217 -8.167 -15.963 1.00 0.00 C ATOM 1075 CD GLN A 73 -3.121 -8.679 -17.402 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.905 -9.499 -17.850 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -2.118 -8.151 -18.098 1.00 0.00 N ATOM 0 H GLN A 73 -1.099 -7.229 -13.438 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.713 -8.608 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.456 -9.193 -15.258 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.934 -10.118 -15.088 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.264 -8.064 -15.679 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.770 -7.175 -15.895 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.498 -7.469 -17.662 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.969 -8.428 -19.068 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.761 -10.460 -11.983 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.241 -11.432 -11.036 1.00 0.00 C ATOM 1088 C LEU A 74 -1.539 -12.556 -11.800 1.00 0.00 C ATOM 1089 O LEU A 74 -2.155 -13.233 -12.621 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.352 -11.921 -10.105 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.925 -12.278 -8.680 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.487 -12.801 -8.653 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -3.120 -11.090 -7.736 1.00 0.00 C ATOM 0 H LEU A 74 -3.768 -10.511 -12.137 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.495 -10.972 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.119 -11.149 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.815 -12.799 -10.555 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.567 -13.083 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.209 -13.047 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.413 -13.694 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.814 -12.035 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.809 -11.370 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.519 -10.249 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.172 -10.803 -7.724 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.258 -12.721 -11.502 1.00 0.00 N ATOM 1106 CA ASN A 75 0.535 -13.752 -12.150 1.00 0.00 C ATOM 1107 C ASN A 75 1.637 -14.217 -11.196 1.00 0.00 C ATOM 1108 O ASN A 75 1.675 -13.805 -10.038 1.00 0.00 O ATOM 1109 CB ASN A 75 1.202 -13.218 -13.419 1.00 0.00 C ATOM 1110 CG ASN A 75 0.156 -12.740 -14.429 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -0.205 -11.469 -14.273 1.00 0.00 O flip ATOM 1112 ND2 ASN A 75 -0.292 -13.475 -15.292 1.00 0.00 N flip ATOM 0 H ASN A 75 0.250 -12.158 -10.820 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.131 -14.575 -12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.870 -12.395 -13.164 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.816 -13.999 -13.868 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.029 -14.441 -15.356 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.988 -13.124 -15.950 1.00 0.00 H new ATOM 1119 N GLU A 76 2.506 -15.070 -11.719 1.00 0.00 N ATOM 1120 CA GLU A 76 3.606 -15.596 -10.928 1.00 0.00 C ATOM 1121 C GLU A 76 4.770 -14.603 -10.911 1.00 0.00 C ATOM 1122 O GLU A 76 5.855 -14.921 -10.428 1.00 0.00 O ATOM 1123 CB GLU A 76 4.057 -16.960 -11.454 1.00 0.00 C ATOM 1124 CG GLU A 76 2.853 -17.848 -11.777 1.00 0.00 C ATOM 1125 CD GLU A 76 3.290 -19.116 -12.513 1.00 0.00 C ATOM 1126 OE1 GLU A 76 3.978 -19.937 -11.870 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.924 -19.236 -13.703 1.00 0.00 O ATOM 0 H GLU A 76 2.471 -15.410 -12.680 1.00 0.00 H new ATOM 0 HA GLU A 76 3.257 -15.735 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.665 -16.826 -12.349 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.686 -17.450 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.337 -18.117 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.142 -17.294 -12.390 1.00 0.00 H new ATOM 1134 N ASP A 77 4.504 -13.419 -11.445 1.00 0.00 N ATOM 1135 CA ASP A 77 5.515 -12.378 -11.497 1.00 0.00 C ATOM 1136 C ASP A 77 5.467 -11.560 -10.205 1.00 0.00 C ATOM 1137 O ASP A 77 6.499 -11.309 -9.585 1.00 0.00 O ATOM 1138 CB ASP A 77 5.266 -11.426 -12.669 1.00 0.00 C ATOM 1139 CG ASP A 77 6.327 -11.463 -13.770 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.244 -12.387 -14.607 1.00 0.00 O ATOM 1141 OD2 ASP A 77 7.198 -10.567 -13.750 1.00 0.00 O ATOM 0 H ASP A 77 3.603 -13.159 -11.845 1.00 0.00 H new ATOM 0 HA ASP A 77 6.486 -12.858 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.298 -11.663 -13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.200 -10.409 -12.283 1.00 0.00 H new ATOM 1146 N VAL A 78 4.256 -11.167 -9.836 1.00 0.00 N ATOM 1147 CA VAL A 78 4.060 -10.382 -8.629 1.00 0.00 C ATOM 1148 C VAL A 78 4.516 -11.197 -7.417 1.00 0.00 C ATOM 1149 O VAL A 78 4.243 -12.393 -7.330 1.00 0.00 O ATOM 1150 CB VAL A 78 2.601 -9.930 -8.530 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.651 -11.039 -8.988 1.00 0.00 C ATOM 1152 CG2 VAL A 78 2.264 -9.471 -7.110 1.00 0.00 C ATOM 0 H VAL A 78 3.401 -11.378 -10.352 1.00 0.00 H new ATOM 0 HA VAL A 78 4.666 -9.476 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 78 2.468 -9.078 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.621 -10.692 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.867 -11.298 -10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.788 -11.918 -8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.222 -9.155 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.422 -10.295 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.908 -8.635 -6.835 1.00 0.00 H new ATOM 1162 N THR A 79 5.204 -10.516 -6.512 1.00 0.00 N ATOM 1163 CA THR A 79 5.701 -11.162 -5.309 1.00 0.00 C ATOM 1164 C THR A 79 4.956 -10.642 -4.078 1.00 0.00 C ATOM 1165 O THR A 79 5.079 -11.204 -2.991 1.00 0.00 O ATOM 1166 CB THR A 79 7.214 -10.938 -5.243 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.350 -9.527 -5.103 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.910 -11.251 -6.569 1.00 0.00 C ATOM 0 H THR A 79 5.429 -9.524 -6.588 1.00 0.00 H new ATOM 0 HA THR A 79 5.517 -12.236 -5.332 1.00 0.00 H new ATOM 0 HB THR A 79 7.639 -11.559 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.812 -9.220 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.981 -11.076 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.736 -12.294 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.509 -10.607 -7.351 1.00 0.00 H new ATOM 1176 N HIS A 80 4.200 -9.575 -4.291 1.00 0.00 N ATOM 1177 CA HIS A 80 3.435 -8.973 -3.212 1.00 0.00 C ATOM 1178 C HIS A 80 2.048 -8.578 -3.724 1.00 0.00 C ATOM 1179 O HIS A 80 1.893 -8.219 -4.890 1.00 0.00 O ATOM 1180 CB HIS A 80 4.196 -7.798 -2.596 1.00 0.00 C ATOM 1181 CG HIS A 80 5.593 -8.143 -2.137 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.502 -8.811 -2.940 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.226 -7.907 -0.953 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.628 -8.964 -2.258 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.455 -8.404 -1.027 1.00 0.00 N ATOM 0 H HIS A 80 4.101 -9.112 -5.194 1.00 0.00 H new ATOM 0 HA HIS A 80 3.295 -9.700 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.254 -6.992 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.629 -7.417 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.800 -7.401 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.525 -9.448 -2.615 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.154 -8.372 -0.285 1.00 0.00 H new ATOM 1193 N VAL A 81 1.076 -8.659 -2.828 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.292 -8.314 -3.174 1.00 0.00 C ATOM 1195 C VAL A 81 -0.841 -7.324 -2.145 1.00 0.00 C ATOM 1196 O VAL A 81 -1.347 -7.727 -1.099 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.138 -9.584 -3.292 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.631 -9.253 -3.255 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.780 -10.365 -4.558 1.00 0.00 C ATOM 0 H VAL A 81 1.209 -8.959 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.327 -7.824 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.914 -10.217 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.210 -10.173 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.871 -8.759 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.878 -8.591 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.395 -11.263 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.961 -9.742 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.272 -10.648 -4.526 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.722 -6.047 -2.478 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.199 -4.996 -1.595 1.00 0.00 C ATOM 1211 C ILE A 82 -2.723 -4.904 -1.697 1.00 0.00 C ATOM 1212 O ILE A 82 -3.252 -4.310 -2.636 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.482 -3.678 -1.895 1.00 0.00 C ATOM 1214 CG1 ILE A 82 1.030 -3.887 -1.998 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.844 -2.610 -0.861 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.762 -3.165 -0.865 1.00 0.00 C ATOM 0 H ILE A 82 -0.302 -5.716 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.962 -5.232 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.823 -3.316 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.257 -4.953 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.387 -3.518 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.321 -1.683 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.920 -2.435 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.549 -2.950 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.835 -3.330 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.553 -2.097 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.420 -3.553 0.094 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.387 -5.501 -0.717 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.839 -5.493 -0.685 1.00 0.00 C ATOM 1230 C VAL A 83 -5.321 -4.284 0.119 1.00 0.00 C ATOM 1231 O VAL A 83 -4.898 -4.081 1.256 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.357 -6.823 -0.132 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.886 -6.858 -0.132 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.781 -8.004 -0.915 1.00 0.00 C ATOM 0 H VAL A 83 -2.946 -5.993 0.060 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.243 -5.395 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.020 -6.910 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.228 -7.814 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.268 -6.048 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.253 -6.737 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.165 -8.937 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.073 -7.924 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.694 -7.995 -0.840 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.199 -3.512 -0.504 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.743 -2.327 0.138 1.00 0.00 C ATOM 1246 C GLY A 84 -8.098 -2.627 0.783 1.00 0.00 C ATOM 1247 O GLY A 84 -8.303 -2.348 1.963 1.00 0.00 O ATOM 0 H GLY A 84 -6.547 -3.684 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.047 -1.967 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.854 -1.529 -0.597 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.988 -3.191 -0.020 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.317 -3.531 0.457 1.00 0.00 C ATOM 1253 C ASP A 85 -10.408 -5.044 0.666 1.00 0.00 C ATOM 1254 O ASP A 85 -10.840 -5.504 1.722 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.387 -3.130 -0.561 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.524 -2.273 0.000 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -12.205 -1.197 0.549 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.686 -2.714 -0.133 1.00 0.00 O ATOM 0 H ASP A 85 -8.814 -3.421 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.487 -2.994 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.908 -2.584 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.814 -4.035 -0.993 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.993 -5.777 -0.357 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.022 -7.228 -0.298 1.00 0.00 C ATOM 1265 C TYR A 86 -9.307 -7.840 -1.505 1.00 0.00 C ATOM 1266 O TYR A 86 -8.960 -7.133 -2.449 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.499 -7.623 -0.342 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.263 -7.044 -1.534 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -11.987 -7.487 -2.812 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.229 -6.080 -1.332 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.706 -6.942 -3.934 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.949 -5.535 -2.455 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.651 -5.993 -3.700 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.330 -5.478 -4.760 1.00 0.00 O ATOM 0 H TYR A 86 -9.635 -5.393 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.520 -7.585 0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.573 -8.710 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.980 -7.294 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.232 -8.243 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.446 -5.734 -0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.499 -7.279 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.708 -4.780 -2.311 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.974 -4.811 -4.443 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.109 -9.148 -1.434 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.442 -9.863 -2.509 1.00 0.00 C ATOM 1286 C ASP A 87 -9.367 -10.963 -3.035 1.00 0.00 C ATOM 1287 O ASP A 87 -9.254 -12.120 -2.631 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.154 -10.525 -2.015 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.329 -11.472 -0.826 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -8.274 -11.232 -0.043 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.513 -12.414 -0.726 1.00 0.00 O ATOM 0 H ASP A 87 -9.399 -9.731 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.201 -9.145 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.709 -11.081 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.445 -9.745 -1.738 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.260 -10.564 -3.928 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.204 -11.502 -4.513 1.00 0.00 C ATOM 1298 C ASP A 88 -10.641 -12.027 -5.835 1.00 0.00 C ATOM 1299 O ASP A 88 -10.962 -13.138 -6.253 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.544 -10.824 -4.805 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.334 -10.393 -3.568 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.843 -10.676 -2.454 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.411 -9.789 -3.764 1.00 0.00 O ATOM 0 H ASP A 88 -10.350 -9.604 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.358 -12.314 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.362 -9.946 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.159 -11.507 -5.391 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.812 -11.202 -6.458 1.00 0.00 N ATOM 1309 CA GLU A 89 -9.202 -11.569 -7.724 1.00 0.00 C ATOM 1310 C GLU A 89 -7.968 -12.441 -7.486 1.00 0.00 C ATOM 1311 O GLU A 89 -7.842 -13.518 -8.067 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.845 -10.325 -8.541 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.602 -10.571 -9.399 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.830 -11.727 -10.376 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.811 -11.634 -11.145 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.018 -12.676 -10.332 1.00 0.00 O ATOM 0 H GLU A 89 -9.549 -10.280 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.925 -12.147 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.685 -10.052 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.668 -9.484 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.353 -9.666 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.751 -10.796 -8.756 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.088 -11.944 -6.629 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.868 -12.665 -6.307 1.00 0.00 C ATOM 1325 C LEU A 90 -6.219 -14.099 -5.905 1.00 0.00 C ATOM 1326 O LEU A 90 -5.373 -14.990 -5.969 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.063 -11.909 -5.247 1.00 0.00 C ATOM 1328 CG LEU A 90 -3.999 -12.722 -4.507 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -4.640 -13.675 -3.497 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.089 -13.459 -5.492 1.00 0.00 C ATOM 0 H LEU A 90 -7.196 -11.051 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.221 -12.728 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.575 -11.060 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.758 -11.503 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.372 -12.031 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.861 -14.240 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.211 -13.101 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.305 -14.363 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.342 -14.029 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.686 -14.138 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.590 -12.736 -6.137 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.468 -14.277 -5.501 1.00 0.00 N ATOM 1343 CA LYS A 91 -7.941 -15.588 -5.089 1.00 0.00 C ATOM 1344 C LYS A 91 -8.085 -16.483 -6.321 1.00 0.00 C ATOM 1345 O LYS A 91 -7.812 -17.681 -6.257 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.226 -15.460 -4.269 1.00 0.00 C ATOM 1347 CG LYS A 91 -8.923 -14.987 -2.845 1.00 0.00 C ATOM 1348 CD LYS A 91 -10.214 -14.681 -2.083 1.00 0.00 C ATOM 1349 CE LYS A 91 -9.910 -14.110 -0.696 1.00 0.00 C ATOM 1350 NZ LYS A 91 -10.199 -15.113 0.353 1.00 0.00 N ATOM 0 H LYS A 91 -8.167 -13.536 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.216 -16.065 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.902 -14.756 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.738 -16.422 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.357 -15.754 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.297 -14.096 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.815 -13.969 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.806 -15.591 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.864 -13.809 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.508 -13.215 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.987 -14.709 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.203 -15.380 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.610 -15.956 0.199 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.513 -15.868 -7.414 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.696 -16.595 -8.659 1.00 0.00 C ATOM 1366 C GLN A 92 -7.352 -17.114 -9.173 1.00 0.00 C ATOM 1367 O GLN A 92 -7.255 -18.250 -9.634 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.385 -15.721 -9.708 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.665 -15.098 -9.148 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.885 -15.518 -9.971 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.726 -16.285 -9.534 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -11.932 -14.975 -11.184 1.00 0.00 N ATOM 0 H GLN A 92 -8.738 -14.874 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.343 -17.451 -8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.705 -14.933 -10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.622 -16.320 -10.587 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.799 -15.404 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.576 -14.012 -9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.194 -14.340 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.706 -15.194 -11.811 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.347 -16.255 -9.078 1.00 0.00 N ATOM 1382 CA PHE A 93 -5.012 -16.612 -9.529 1.00 0.00 C ATOM 1383 C PHE A 93 -4.465 -17.800 -8.735 1.00 0.00 C ATOM 1384 O PHE A 93 -3.547 -18.482 -9.186 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.118 -15.395 -9.285 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.620 -15.702 -9.343 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.027 -15.971 -10.537 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.882 -15.707 -8.201 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.637 -16.256 -10.591 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.492 -15.992 -8.254 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.101 -16.261 -9.448 1.00 0.00 C ATOM 0 H PHE A 93 -6.430 -15.313 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.037 -16.894 -10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.351 -14.631 -10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.355 -14.973 -8.308 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.613 -15.968 -11.444 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.353 -15.494 -7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.166 -16.469 -11.539 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.094 -15.995 -7.347 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.158 -16.479 -9.489 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.053 -18.011 -7.566 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.636 -19.104 -6.705 1.00 0.00 C ATOM 1403 C TRP A 94 -5.214 -20.401 -7.274 1.00 0.00 C ATOM 1404 O TRP A 94 -4.942 -21.485 -6.760 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.052 -18.850 -5.255 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.009 -18.092 -4.432 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.677 -18.097 -4.581 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.267 -17.211 -3.318 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.060 -17.288 -3.649 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.058 -16.732 -2.856 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.482 -16.831 -2.721 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -2.946 -15.847 -1.777 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.352 -15.947 -1.644 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.143 -15.455 -1.167 1.00 0.00 C ATOM 0 H TRP A 94 -5.815 -17.443 -7.195 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.549 -19.186 -6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -5.985 -18.286 -5.249 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.255 -19.806 -4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.152 -18.663 -5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.057 -17.127 -3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.439 -17.193 -3.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.988 -15.486 -1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.256 -15.624 -1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.127 -14.773 -0.329 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.001 -20.248 -8.329 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.620 -21.393 -8.974 1.00 0.00 C ATOM 1427 C ASN A 95 -6.104 -21.506 -10.410 1.00 0.00 C ATOM 1428 O ASN A 95 -6.642 -22.271 -11.209 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.142 -21.239 -9.029 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.833 -22.307 -8.179 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.221 -22.079 -7.045 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -8.964 -23.482 -8.789 1.00 0.00 N ATOM 0 H ASN A 95 -6.224 -19.348 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.368 -22.282 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.424 -20.248 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.482 -21.316 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.412 -24.260 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.616 -23.604 -9.740 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.067 -20.732 -10.694 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.472 -20.735 -12.019 1.00 0.00 C ATOM 1441 C LYS A 96 -3.014 -21.190 -11.918 1.00 0.00 C ATOM 1442 O LYS A 96 -2.700 -22.346 -12.201 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.644 -19.370 -12.687 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.124 -18.997 -12.799 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.346 -17.954 -13.896 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.774 -17.408 -13.853 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.771 -15.937 -14.020 1.00 0.00 N ATOM 0 H LYS A 96 -4.624 -20.098 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.985 -21.447 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.116 -18.610 -12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.194 -19.387 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.712 -19.889 -13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.477 -18.607 -11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.636 -17.136 -13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.153 -18.400 -14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.370 -17.868 -14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.242 -17.671 -12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.748 -15.582 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.220 -15.502 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.343 -15.692 -14.936 1.00 0.00 H new ATOM 1461 N SER A 97 -2.163 -20.259 -11.515 1.00 0.00 N ATOM 1462 CA SER A 97 -0.747 -20.550 -11.373 1.00 0.00 C ATOM 1463 C SER A 97 -0.426 -20.891 -9.917 1.00 0.00 C ATOM 1464 O SER A 97 -1.173 -20.526 -9.011 1.00 0.00 O ATOM 1465 CB SER A 97 0.108 -19.371 -11.843 1.00 0.00 C ATOM 1466 OG SER A 97 0.038 -19.190 -13.255 1.00 0.00 O ATOM 0 H SER A 97 -2.427 -19.302 -11.282 1.00 0.00 H new ATOM 0 HA SER A 97 -0.510 -21.409 -12.001 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.224 -18.461 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.145 -19.535 -11.550 1.00 0.00 H new ATOM 0 HG SER A 97 0.944 -19.174 -13.628 1.00 0.00 H new ATOM 1472 N ALA A 98 0.687 -21.588 -9.737 1.00 0.00 N ATOM 1473 CA ALA A 98 1.116 -21.982 -8.406 1.00 0.00 C ATOM 1474 C ALA A 98 2.098 -20.942 -7.862 1.00 0.00 C ATOM 1475 O ALA A 98 3.283 -20.971 -8.191 1.00 0.00 O ATOM 1476 CB ALA A 98 1.723 -23.385 -8.460 1.00 0.00 C ATOM 0 H ALA A 98 1.304 -21.890 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 98 0.266 -22.020 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.045 -23.681 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.976 -24.091 -8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.581 -23.385 -9.133 1.00 0.00 H new ATOM 1482 N HIS A 99 1.569 -20.049 -7.039 1.00 0.00 N ATOM 1483 CA HIS A 99 2.384 -19.002 -6.447 1.00 0.00 C ATOM 1484 C HIS A 99 1.671 -18.428 -5.221 1.00 0.00 C ATOM 1485 O HIS A 99 0.445 -18.328 -5.202 1.00 0.00 O ATOM 1486 CB HIS A 99 2.734 -17.934 -7.484 1.00 0.00 C ATOM 1487 CG HIS A 99 3.227 -16.637 -6.887 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.351 -16.561 -6.083 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.739 -15.367 -6.988 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.521 -15.298 -5.720 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.521 -14.560 -6.281 1.00 0.00 N ATOM 0 H HIS A 99 0.586 -20.029 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 99 3.332 -19.421 -6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.499 -18.328 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.853 -17.730 -8.093 1.00 0.00 H new ATOM 0 HD2 HIS A 99 1.865 -15.069 -7.548 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.313 -14.920 -5.090 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.395 -13.553 -6.175 1.00 0.00 H new ATOM 1499 N ARG A 100 2.469 -18.065 -4.228 1.00 0.00 N ATOM 1500 CA ARG A 100 1.929 -17.503 -3.001 1.00 0.00 C ATOM 1501 C ARG A 100 2.579 -16.150 -2.706 1.00 0.00 C ATOM 1502 O ARG A 100 3.595 -16.082 -2.017 1.00 0.00 O ATOM 1503 CB ARG A 100 2.162 -18.442 -1.816 1.00 0.00 C ATOM 1504 CG ARG A 100 0.879 -18.628 -1.003 1.00 0.00 C ATOM 1505 CD ARG A 100 0.563 -17.376 -0.183 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.382 -17.710 0.906 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.082 -18.500 1.946 1.00 0.00 C ATOM 1508 NH1 ARG A 100 1.139 -19.042 2.045 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -1.004 -18.748 2.887 1.00 0.00 N ATOM 0 H ARG A 100 3.485 -18.149 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 100 0.856 -17.372 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.511 -19.409 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.947 -18.038 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.048 -18.847 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.987 -19.485 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.481 -16.963 0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.133 -16.609 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.321 -17.314 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.840 -18.853 1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.367 -19.643 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.934 -18.335 2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.776 -19.349 3.679 1.00 0.00 H new ATOM 1523 N PRO A 101 1.950 -15.078 -3.258 1.00 0.00 N ATOM 1524 CA PRO A 101 2.456 -13.730 -3.061 1.00 0.00 C ATOM 1525 C PRO A 101 2.146 -13.229 -1.649 1.00 0.00 C ATOM 1526 O PRO A 101 1.365 -13.845 -0.925 1.00 0.00 O ATOM 1527 CB PRO A 101 1.791 -12.898 -4.146 1.00 0.00 C ATOM 1528 CG PRO A 101 0.591 -13.705 -4.613 1.00 0.00 C ATOM 1529 CD PRO A 101 0.744 -15.120 -4.081 1.00 0.00 C ATOM 0 HA PRO A 101 3.541 -13.672 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.482 -11.927 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.479 -12.709 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.334 -13.258 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.535 -13.711 -5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.125 -15.419 -3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.844 -15.840 -4.893 1.00 0.00 H new ATOM 1537 N HIS A 102 2.774 -12.116 -1.300 1.00 0.00 N ATOM 1538 CA HIS A 102 2.576 -11.525 0.013 1.00 0.00 C ATOM 1539 C HIS A 102 1.344 -10.618 -0.014 1.00 0.00 C ATOM 1540 O HIS A 102 1.409 -9.490 -0.501 1.00 0.00 O ATOM 1541 CB HIS A 102 3.838 -10.796 0.477 1.00 0.00 C ATOM 1542 CG HIS A 102 5.044 -11.693 0.629 1.00 0.00 C ATOM 1543 ND1 HIS A 102 5.218 -12.538 1.711 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.132 -11.868 -0.175 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.363 -13.187 1.555 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.928 -12.770 0.386 1.00 0.00 N ATOM 0 H HIS A 102 3.420 -11.608 -1.903 1.00 0.00 H new ATOM 0 HA HIS A 102 2.391 -12.311 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.073 -10.007 -0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.635 -10.312 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.315 -11.359 -1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.776 -13.918 2.234 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.816 -13.097 0.005 1.00 0.00 H new ATOM 1554 N VAL A 103 0.249 -11.144 0.515 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.996 -10.396 0.558 1.00 0.00 C ATOM 1556 C VAL A 103 -1.013 -9.515 1.809 1.00 0.00 C ATOM 1557 O VAL A 103 -1.378 -9.974 2.891 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.185 -11.356 0.486 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.509 -10.588 0.477 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.075 -12.274 -0.732 1.00 0.00 C ATOM 0 H VAL A 103 0.198 -12.080 0.918 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.076 -9.736 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.166 -11.981 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.338 -11.293 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.592 -9.996 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.540 -9.927 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.933 -12.946 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.056 -11.672 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.158 -12.859 -0.665 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.614 -8.266 1.620 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.579 -7.317 2.720 1.00 0.00 C ATOM 1572 C VAL A 104 -1.391 -6.076 2.342 1.00 0.00 C ATOM 1573 O VAL A 104 -1.915 -5.986 1.233 1.00 0.00 O ATOM 1574 CB VAL A 104 0.870 -6.994 3.087 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.597 -8.241 3.596 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.611 -6.374 1.901 1.00 0.00 C ATOM 0 H VAL A 104 -0.312 -7.889 0.722 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.037 -7.747 3.611 1.00 0.00 H new ATOM 0 HB VAL A 104 0.856 -6.261 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.625 -7.984 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.089 -8.622 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.595 -9.006 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.639 -6.154 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.610 -7.074 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.113 -5.452 1.602 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.469 -5.150 3.286 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.208 -3.918 3.067 1.00 0.00 C ATOM 1588 C GLY A 105 -1.260 -2.757 2.761 1.00 0.00 C ATOM 1589 O GLY A 105 -0.135 -2.722 3.258 1.00 0.00 O ATOM 0 H GLY A 105 -1.033 -5.228 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.906 -4.050 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.802 -3.684 3.951 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.748 -1.835 1.944 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.958 -0.676 1.566 1.00 0.00 C ATOM 1595 C ALA A 106 -0.210 -0.151 2.793 1.00 0.00 C ATOM 1596 O ALA A 106 0.933 0.290 2.686 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.870 0.383 0.943 1.00 0.00 C ATOM 0 H ALA A 106 -2.681 -1.867 1.533 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.214 -0.947 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.277 1.253 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.355 -0.030 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.628 0.681 1.667 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.886 -0.218 3.931 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.299 0.245 5.178 1.00 0.00 C ATOM 1605 C LYS A 107 1.175 -0.162 5.225 1.00 0.00 C ATOM 1606 O LYS A 107 2.037 0.651 5.556 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.114 -0.257 6.372 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.781 0.538 7.636 1.00 0.00 C ATOM 1609 CD LYS A 107 -1.986 0.605 8.576 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.568 1.070 9.972 1.00 0.00 C ATOM 1611 NZ LYS A 107 -1.536 -0.074 10.911 1.00 0.00 N ATOM 0 H LYS A 107 -1.834 -0.586 4.016 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.331 1.333 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.178 -0.170 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.908 -1.314 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.060 0.074 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.471 1.547 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.731 1.289 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.456 -0.376 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.585 1.539 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.265 1.826 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.250 0.259 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.481 -0.504 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.854 -0.782 10.572 1.00 0.00 H new ATOM 1625 N TRP A 108 1.420 -1.420 4.888 1.00 0.00 N ATOM 1626 CA TRP A 108 2.775 -1.945 4.887 1.00 0.00 C ATOM 1627 C TRP A 108 3.632 -1.039 4.001 1.00 0.00 C ATOM 1628 O TRP A 108 4.509 -0.332 4.494 1.00 0.00 O ATOM 1629 CB TRP A 108 2.796 -3.409 4.444 1.00 0.00 C ATOM 1630 CG TRP A 108 4.194 -3.944 4.129 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.135 -4.352 4.992 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.776 -4.113 2.819 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.275 -4.770 4.337 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.049 -4.620 2.974 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.243 -3.846 1.546 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.897 -4.904 1.896 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.102 -4.135 0.480 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.387 -4.646 0.618 1.00 0.00 C ATOM 0 H TRP A 108 0.703 -2.091 4.614 1.00 0.00 H new ATOM 0 HA TRP A 108 3.191 -1.941 5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.352 -4.022 5.229 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.168 -3.519 3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.016 -4.353 6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.127 -5.124 4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.249 -3.449 1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.891 -5.301 2.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.741 -3.948 -0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.989 -4.843 -0.257 1.00 0.00 H new ATOM 1649 N LEU A 109 3.348 -1.090 2.708 1.00 0.00 N ATOM 1650 CA LEU A 109 4.082 -0.283 1.748 1.00 0.00 C ATOM 1651 C LEU A 109 4.346 1.100 2.347 1.00 0.00 C ATOM 1652 O LEU A 109 5.497 1.514 2.478 1.00 0.00 O ATOM 1653 CB LEU A 109 3.345 -0.242 0.408 1.00 0.00 C ATOM 1654 CG LEU A 109 4.147 0.289 -0.782 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.335 -0.624 -1.094 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.247 0.495 -2.002 1.00 0.00 C ATOM 0 H LEU A 109 2.620 -1.678 2.303 1.00 0.00 H new ATOM 0 HA LEU A 109 5.053 -0.731 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.006 -1.250 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.454 0.375 0.525 1.00 0.00 H new ATOM 0 HG LEU A 109 4.552 1.264 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.888 -0.224 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.992 -0.676 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.972 -1.623 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.842 0.873 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.792 -0.455 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.464 1.214 -1.760 1.00 0.00 H new ATOM 1668 N LEU A 110 3.261 1.776 2.695 1.00 0.00 N ATOM 1669 CA LEU A 110 3.361 3.104 3.277 1.00 0.00 C ATOM 1670 C LEU A 110 4.512 3.129 4.285 1.00 0.00 C ATOM 1671 O LEU A 110 5.415 3.957 4.180 1.00 0.00 O ATOM 1672 CB LEU A 110 2.016 3.532 3.868 1.00 0.00 C ATOM 1673 CG LEU A 110 0.821 3.493 2.913 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.463 3.926 3.624 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.092 4.329 1.660 1.00 0.00 C ATOM 0 H LEU A 110 2.308 1.429 2.585 1.00 0.00 H new ATOM 0 HA LEU A 110 3.594 3.841 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.795 2.890 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.117 4.547 4.251 1.00 0.00 H new ATOM 0 HG LEU A 110 0.678 2.463 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.297 3.889 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.661 3.254 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.347 4.944 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.227 4.284 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.276 5.364 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.966 3.935 1.142 1.00 0.00 H new ATOM 1687 N GLU A 111 4.441 2.211 5.238 1.00 0.00 N ATOM 1688 CA GLU A 111 5.466 2.117 6.264 1.00 0.00 C ATOM 1689 C GLU A 111 6.830 1.845 5.628 1.00 0.00 C ATOM 1690 O GLU A 111 7.851 2.340 6.104 1.00 0.00 O ATOM 1691 CB GLU A 111 5.115 1.040 7.292 1.00 0.00 C ATOM 1692 CG GLU A 111 3.684 1.216 7.804 1.00 0.00 C ATOM 1693 CD GLU A 111 3.677 1.759 9.235 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.379 1.156 10.074 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.970 2.766 9.456 1.00 0.00 O ATOM 0 H GLU A 111 3.690 1.526 5.321 1.00 0.00 H new ATOM 0 HA GLU A 111 5.516 3.071 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.225 0.053 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.813 1.089 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.141 1.898 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.162 0.260 7.771 1.00 0.00 H new ATOM 1702 N CYS A 112 6.804 1.059 4.561 1.00 0.00 N ATOM 1703 CA CYS A 112 8.027 0.715 3.855 1.00 0.00 C ATOM 1704 C CYS A 112 8.688 2.010 3.381 1.00 0.00 C ATOM 1705 O CYS A 112 9.865 2.246 3.652 1.00 0.00 O ATOM 1706 CB CYS A 112 7.759 -0.247 2.696 1.00 0.00 C ATOM 1707 SG CYS A 112 6.825 -1.703 3.294 1.00 0.00 S ATOM 0 H CYS A 112 5.956 0.651 4.169 1.00 0.00 H new ATOM 0 HA CYS A 112 8.703 0.189 4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.195 0.261 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.702 -0.567 2.252 1.00 0.00 H new ATOM 0 HG CYS A 112 6.970 -2.686 2.456 1.00 0.00 H new ATOM 1713 N PHE A 113 7.903 2.816 2.681 1.00 0.00 N ATOM 1714 CA PHE A 113 8.398 4.082 2.166 1.00 0.00 C ATOM 1715 C PHE A 113 8.600 5.092 3.297 1.00 0.00 C ATOM 1716 O PHE A 113 9.414 6.006 3.179 1.00 0.00 O ATOM 1717 CB PHE A 113 7.338 4.618 1.202 1.00 0.00 C ATOM 1718 CG PHE A 113 7.395 3.996 -0.195 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.381 4.356 -1.060 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.461 3.082 -0.571 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.434 3.779 -2.356 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.514 2.505 -1.868 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.500 2.866 -2.733 1.00 0.00 C ATOM 0 H PHE A 113 6.928 2.617 2.458 1.00 0.00 H new ATOM 0 HA PHE A 113 9.358 3.933 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.351 4.439 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.456 5.698 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.124 5.081 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.679 2.795 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.217 4.066 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.772 1.780 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.541 2.427 -3.719 1.00 0.00 H new ATOM 1733 N SER A 114 7.844 4.894 4.367 1.00 0.00 N ATOM 1734 CA SER A 114 7.930 5.776 5.518 1.00 0.00 C ATOM 1735 C SER A 114 9.222 5.505 6.290 1.00 0.00 C ATOM 1736 O SER A 114 9.945 6.435 6.644 1.00 0.00 O ATOM 1737 CB SER A 114 6.717 5.605 6.435 1.00 0.00 C ATOM 1738 OG SER A 114 6.679 6.593 7.461 1.00 0.00 O ATOM 0 H SER A 114 7.169 4.135 4.461 1.00 0.00 H new ATOM 0 HA SER A 114 7.938 6.805 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.804 5.663 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.742 4.614 6.887 1.00 0.00 H new ATOM 0 HG SER A 114 5.889 6.450 8.024 1.00 0.00 H new ATOM 1744 N LYS A 115 9.473 4.226 6.530 1.00 0.00 N ATOM 1745 CA LYS A 115 10.666 3.821 7.254 1.00 0.00 C ATOM 1746 C LYS A 115 11.885 3.961 6.340 1.00 0.00 C ATOM 1747 O LYS A 115 13.015 4.051 6.816 1.00 0.00 O ATOM 1748 CB LYS A 115 10.489 2.415 7.832 1.00 0.00 C ATOM 1749 CG LYS A 115 9.121 2.265 8.500 1.00 0.00 C ATOM 1750 CD LYS A 115 9.258 2.184 10.021 1.00 0.00 C ATOM 1751 CE LYS A 115 8.318 1.127 10.602 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.057 1.395 12.034 1.00 0.00 N ATOM 0 H LYS A 115 8.871 3.457 6.236 1.00 0.00 H new ATOM 0 HA LYS A 115 10.833 4.475 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.593 1.676 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.276 2.215 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.488 3.111 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.627 1.367 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.288 1.944 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.035 3.156 10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.378 1.125 10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.759 0.137 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.417 0.668 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.954 1.375 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.616 2.331 12.137 1.00 0.00 H new ATOM 1766 N GLY A 116 11.614 3.975 5.043 1.00 0.00 N ATOM 1767 CA GLY A 116 12.674 4.102 4.058 1.00 0.00 C ATOM 1768 C GLY A 116 13.123 2.729 3.555 1.00 0.00 C ATOM 1769 O GLY A 116 13.829 2.632 2.552 1.00 0.00 O ATOM 0 H GLY A 116 10.675 3.900 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.325 4.704 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.522 4.628 4.497 1.00 0.00 H new ATOM 1773 N TYR A 117 12.695 1.702 4.274 1.00 0.00 N ATOM 1774 CA TYR A 117 13.045 0.338 3.913 1.00 0.00 C ATOM 1775 C TYR A 117 11.837 -0.591 4.048 1.00 0.00 C ATOM 1776 O TYR A 117 10.829 -0.222 4.649 1.00 0.00 O ATOM 1777 CB TYR A 117 14.123 -0.098 4.907 1.00 0.00 C ATOM 1778 CG TYR A 117 13.823 0.284 6.357 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.928 -0.462 7.097 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.448 1.375 6.927 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.646 -0.103 8.462 1.00 0.00 C ATOM 1782 CE2 TYR A 117 14.166 1.734 8.292 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.279 0.978 8.993 1.00 0.00 C ATOM 1784 OH TYR A 117 13.013 1.318 10.282 1.00 0.00 O ATOM 0 H TYR A 117 12.109 1.787 5.105 1.00 0.00 H new ATOM 0 HA TYR A 117 13.386 0.290 2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.244 -1.179 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.074 0.347 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.439 -1.316 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.149 1.959 6.349 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.948 -0.679 9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 117 14.648 2.585 8.750 1.00 0.00 H new ATOM 0 HH TYR A 117 13.537 2.109 10.527 1.00 0.00 H new ATOM 1794 N MET A 118 11.978 -1.780 3.479 1.00 0.00 N ATOM 1795 CA MET A 118 10.911 -2.765 3.529 1.00 0.00 C ATOM 1796 C MET A 118 10.796 -3.378 4.926 1.00 0.00 C ATOM 1797 O MET A 118 11.803 -3.724 5.541 1.00 0.00 O ATOM 1798 CB MET A 118 11.189 -3.870 2.508 1.00 0.00 C ATOM 1799 CG MET A 118 11.020 -3.350 1.079 1.00 0.00 C ATOM 1800 SD MET A 118 11.628 -4.559 -0.086 1.00 0.00 S ATOM 1801 CE MET A 118 10.106 -4.975 -0.922 1.00 0.00 C ATOM 0 H MET A 118 12.815 -2.083 2.981 1.00 0.00 H new ATOM 0 HA MET A 118 9.971 -2.267 3.293 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.202 -4.249 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.510 -4.706 2.677 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.969 -3.139 0.882 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.561 -2.412 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.042 -6.056 -1.045 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.259 -4.627 -0.331 1.00 0.00 H new ATOM 0 HE3 MET A 118 10.086 -4.496 -1.901 1.00 0.00 H new ATOM 1811 N LEU A 119 9.559 -3.493 5.386 1.00 0.00 N ATOM 1812 CA LEU A 119 9.298 -4.058 6.700 1.00 0.00 C ATOM 1813 C LEU A 119 8.655 -5.437 6.538 1.00 0.00 C ATOM 1814 O LEU A 119 8.385 -5.873 5.420 1.00 0.00 O ATOM 1815 CB LEU A 119 8.470 -3.089 7.545 1.00 0.00 C ATOM 1816 CG LEU A 119 8.668 -1.601 7.248 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.517 -0.770 7.818 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.029 -1.118 7.752 1.00 0.00 C ATOM 0 H LEU A 119 8.726 -3.205 4.873 1.00 0.00 H new ATOM 0 HA LEU A 119 10.231 -4.202 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.416 -3.329 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.703 -3.264 8.595 1.00 0.00 H new ATOM 0 HG LEU A 119 8.658 -1.464 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.683 0.284 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.578 -1.094 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.469 -0.907 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.144 -0.057 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.093 -1.271 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.821 -1.681 7.258 1.00 0.00 H new ATOM 1830 N SER A 120 8.430 -6.086 7.671 1.00 0.00 N ATOM 1831 CA SER A 120 7.824 -7.407 7.669 1.00 0.00 C ATOM 1832 C SER A 120 6.401 -7.329 7.112 1.00 0.00 C ATOM 1833 O SER A 120 5.698 -6.344 7.332 1.00 0.00 O ATOM 1834 CB SER A 120 7.811 -8.009 9.076 1.00 0.00 C ATOM 1835 OG SER A 120 9.128 -8.250 9.565 1.00 0.00 O ATOM 0 H SER A 120 8.656 -5.722 8.597 1.00 0.00 H new ATOM 0 HA SER A 120 8.422 -8.057 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.290 -7.334 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.251 -8.944 9.065 1.00 0.00 H new ATOM 0 HG SER A 120 9.078 -8.633 10.466 1.00 0.00 H new ATOM 1841 N GLU A 121 6.019 -8.380 6.403 1.00 0.00 N ATOM 1842 CA GLU A 121 4.693 -8.444 5.813 1.00 0.00 C ATOM 1843 C GLU A 121 3.746 -9.232 6.720 1.00 0.00 C ATOM 1844 O GLU A 121 2.528 -9.075 6.637 1.00 0.00 O ATOM 1845 CB GLU A 121 4.745 -9.054 4.411 1.00 0.00 C ATOM 1846 CG GLU A 121 5.377 -8.083 3.413 1.00 0.00 C ATOM 1847 CD GLU A 121 6.704 -8.629 2.882 1.00 0.00 C ATOM 1848 OE1 GLU A 121 7.317 -9.438 3.610 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.076 -8.224 1.759 1.00 0.00 O ATOM 0 H GLU A 121 6.605 -9.195 6.223 1.00 0.00 H new ATOM 0 HA GLU A 121 4.310 -7.428 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.318 -9.981 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.737 -9.311 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.692 -7.912 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.543 -7.119 3.893 1.00 0.00 H new ATOM 1856 N GLU A 122 4.340 -10.062 7.564 1.00 0.00 N ATOM 1857 CA GLU A 122 3.564 -10.874 8.486 1.00 0.00 C ATOM 1858 C GLU A 122 2.676 -9.986 9.358 1.00 0.00 C ATOM 1859 O GLU A 122 1.505 -10.295 9.575 1.00 0.00 O ATOM 1860 CB GLU A 122 4.477 -11.750 9.346 1.00 0.00 C ATOM 1861 CG GLU A 122 4.881 -13.022 8.598 1.00 0.00 C ATOM 1862 CD GLU A 122 5.473 -14.058 9.556 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.159 -13.624 10.507 1.00 0.00 O ATOM 1864 OE2 GLU A 122 5.227 -15.259 9.316 1.00 0.00 O ATOM 0 H GLU A 122 5.350 -10.190 7.629 1.00 0.00 H new ATOM 0 HA GLU A 122 2.922 -11.536 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.369 -11.189 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.966 -12.015 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.011 -13.443 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.610 -12.778 7.825 1.00 0.00 H new ATOM 1871 N PRO A 123 3.281 -8.871 9.848 1.00 0.00 N ATOM 1872 CA PRO A 123 2.558 -7.936 10.692 1.00 0.00 C ATOM 1873 C PRO A 123 1.589 -7.088 9.866 1.00 0.00 C ATOM 1874 O PRO A 123 0.928 -6.197 10.398 1.00 0.00 O ATOM 1875 CB PRO A 123 3.634 -7.109 11.377 1.00 0.00 C ATOM 1876 CG PRO A 123 4.894 -7.296 10.547 1.00 0.00 C ATOM 1877 CD PRO A 123 4.666 -8.473 9.612 1.00 0.00 C ATOM 0 HA PRO A 123 1.929 -8.436 11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.349 -6.058 11.423 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.789 -7.442 12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.113 -6.393 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.752 -7.482 11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.825 -8.189 8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.355 -9.290 9.828 1.00 0.00 H new ATOM 1885 N TYR A 124 1.534 -7.395 8.578 1.00 0.00 N ATOM 1886 CA TYR A 124 0.657 -6.672 7.672 1.00 0.00 C ATOM 1887 C TYR A 124 -0.017 -7.626 6.685 1.00 0.00 C ATOM 1888 O TYR A 124 -0.134 -7.318 5.499 1.00 0.00 O ATOM 1889 CB TYR A 124 1.555 -5.705 6.898 1.00 0.00 C ATOM 1890 CG TYR A 124 2.114 -4.561 7.745 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.403 -3.385 7.872 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.330 -4.705 8.382 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.930 -2.308 8.670 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.857 -3.628 9.180 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.131 -2.483 9.284 1.00 0.00 C ATOM 1896 OH TYR A 124 3.628 -1.465 10.037 1.00 0.00 O ATOM 0 H TYR A 124 2.083 -8.135 8.140 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.129 -6.159 8.226 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.386 -6.263 6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.988 -5.285 6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.452 -3.272 7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.886 -5.625 8.282 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.384 -1.383 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.807 -3.728 9.684 1.00 0.00 H new ATOM 0 HH TYR A 124 3.027 -0.693 9.981 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.444 -8.766 7.209 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.103 -9.767 6.388 1.00 0.00 C ATOM 1908 C ILE A 125 -2.603 -9.469 6.335 1.00 0.00 C ATOM 1909 O ILE A 125 -3.193 -9.055 7.331 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.774 -11.174 6.890 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.738 -11.411 6.905 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.512 -12.235 6.072 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.291 -11.508 5.481 1.00 0.00 C ATOM 0 H ILE A 125 -0.346 -9.018 8.192 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.732 -9.724 5.364 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.124 -11.260 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.232 -10.598 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.961 -12.329 7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.260 -13.226 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.587 -12.077 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.215 -12.159 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.367 -11.676 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.812 -12.337 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.088 -10.579 4.948 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.177 -9.691 5.161 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.596 -9.451 4.965 1.00 0.00 C ATOM 1927 C HIS A 126 -5.342 -10.787 4.928 1.00 0.00 C ATOM 1928 O HIS A 126 -5.250 -11.527 3.950 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.836 -8.604 3.713 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.168 -7.892 3.700 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.359 -6.648 4.276 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.371 -8.262 3.174 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.624 -6.295 4.100 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.249 -7.297 3.417 1.00 0.00 N ATOM 0 H HIS A 126 -2.685 -10.034 4.336 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.990 -8.877 5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.039 -7.865 3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.770 -9.246 2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.574 -9.184 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.080 -5.376 4.438 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.230 -7.303 3.139 1.00 0.00 H new ATOM 1942 N SER A 127 -6.064 -11.054 6.006 1.00 0.00 N ATOM 1943 CA SER A 127 -6.825 -12.287 6.110 1.00 0.00 C ATOM 1944 C SER A 127 -8.321 -11.975 6.183 1.00 0.00 C ATOM 1945 O SER A 127 -9.100 -12.455 5.362 1.00 0.00 O ATOM 1946 CB SER A 127 -6.393 -13.101 7.332 1.00 0.00 C ATOM 1947 OG SER A 127 -6.956 -14.409 7.329 1.00 0.00 O ATOM 0 H SER A 127 -6.138 -10.437 6.815 1.00 0.00 H new ATOM 0 HA SER A 127 -6.628 -12.885 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.306 -13.175 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 127 -6.694 -12.579 8.240 1.00 0.00 H new ATOM 0 HG SER A 127 -6.655 -14.897 8.124 1.00 0.00 H new ATOM 1953 N GLY A 128 -8.677 -11.171 7.175 1.00 0.00 N ATOM 1954 CA GLY A 128 -10.066 -10.789 7.366 1.00 0.00 C ATOM 1955 C GLY A 128 -10.327 -10.381 8.818 1.00 0.00 C ATOM 1956 O GLY A 128 -10.545 -9.206 9.107 1.00 0.00 O ATOM 0 H GLY A 128 -8.028 -10.774 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.314 -9.961 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.716 -11.621 7.096 1.00 0.00 H new ATOM 1960 N PRO A 129 -10.297 -11.402 9.716 1.00 0.00 N ATOM 1961 CA PRO A 129 -10.529 -11.162 11.130 1.00 0.00 C ATOM 1962 C PRO A 129 -9.309 -10.507 11.782 1.00 0.00 C ATOM 1963 O PRO A 129 -8.171 -10.840 11.453 1.00 0.00 O ATOM 1964 CB PRO A 129 -10.852 -12.528 11.713 1.00 0.00 C ATOM 1965 CG PRO A 129 -10.337 -13.543 10.707 1.00 0.00 C ATOM 1966 CD PRO A 129 -10.043 -12.807 9.410 1.00 0.00 C ATOM 0 HA PRO A 129 -11.346 -10.464 11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -10.373 -12.662 12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -11.925 -12.642 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -9.437 -14.029 11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -11.077 -14.326 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -9.012 -12.963 9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -10.684 -13.158 8.601 1.00 0.00 H new ATOM 1974 N SER A 130 -9.587 -9.587 12.693 1.00 0.00 N ATOM 1975 CA SER A 130 -8.527 -8.882 13.394 1.00 0.00 C ATOM 1976 C SER A 130 -9.035 -8.388 14.750 1.00 0.00 C ATOM 1977 O SER A 130 -9.971 -7.593 14.814 1.00 0.00 O ATOM 1978 CB SER A 130 -8.003 -7.709 12.563 1.00 0.00 C ATOM 1979 OG SER A 130 -7.027 -8.122 11.611 1.00 0.00 O ATOM 0 H SER A 130 -10.532 -9.313 12.962 1.00 0.00 H new ATOM 0 HA SER A 130 -7.702 -9.576 13.554 1.00 0.00 H new ATOM 0 HB2 SER A 130 -8.835 -7.232 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 130 -7.569 -6.961 13.226 1.00 0.00 H new ATOM 0 HG SER A 130 -7.164 -9.067 11.391 1.00 0.00 H new ATOM 1985 N SER A 131 -8.394 -8.880 15.800 1.00 0.00 N ATOM 1986 CA SER A 131 -8.769 -8.498 17.151 1.00 0.00 C ATOM 1987 C SER A 131 -7.551 -8.575 18.074 1.00 0.00 C ATOM 1988 O SER A 131 -7.165 -7.579 18.684 1.00 0.00 O ATOM 1989 CB SER A 131 -9.894 -9.387 17.683 1.00 0.00 C ATOM 1990 OG SER A 131 -10.407 -8.914 18.925 1.00 0.00 O ATOM 0 H SER A 131 -7.618 -9.539 15.743 1.00 0.00 H new ATOM 0 HA SER A 131 -9.134 -7.471 17.126 1.00 0.00 H new ATOM 0 HB2 SER A 131 -10.700 -9.429 16.950 1.00 0.00 H new ATOM 0 HB3 SER A 131 -9.524 -10.404 17.808 1.00 0.00 H new ATOM 0 HG SER A 131 -11.124 -9.508 19.230 1.00 0.00 H new ATOM 1996 N GLY A 132 -6.978 -9.768 18.146 1.00 0.00 N ATOM 1997 CA GLY A 132 -5.812 -9.988 18.984 1.00 0.00 C ATOM 1998 C GLY A 132 -6.027 -11.177 19.923 1.00 0.00 C ATOM 1999 O GLY A 132 -5.388 -12.217 19.771 1.00 0.00 O ATOM 0 H GLY A 132 -7.300 -10.592 17.638 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.938 -10.168 18.357 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.606 -9.091 19.568 1.00 0.00 H new TER 2003 GLY A 132