USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ -164:sc= -1.9! (180deg=-2.12!) USER MOD Set 1.2: A 86 THR OG1 : rot -80:sc= -0.497 USER MOD Set 2.1: A 71 ASN : amide:sc= -7.38! C(o=-7.2!,f=-11!) USER MOD Set 2.2: A 90 SER OG : rot 73:sc= 0.191 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.102 F(o=-3,f=-0.0016) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -179:sc= 0.0999 (180deg=0) USER MOD Set 4.1: A 33 ASN : amide:sc= -0.439 K(o=-0.3,f=-2.6) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 168:sc= 0.135 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 21 SER OG : rot -179:sc= -2.4 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -0.304 (180deg=-0.654) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -1.4 F(o=-2.4,f=-1.4) USER MOD Single : A 39 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.696 K(o=0.7,f=-0.82) USER MOD Single : A 56 SER OG : rot -170:sc= -0.722 USER MOD Single : A 64 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 66 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 84 MET CE :methyl -130:sc= -6.96! (180deg=-14.9!) USER MOD Single : A 91 MET CE :methyl -152:sc= -8.57! (180deg=-9.36!) USER MOD Single : A 92 SER OG : rot 73:sc= 1.21 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -6.96! C(o=-11!,f=-7!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -158:sc= -1.59 (180deg=-4.08!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.984 F(o=-2.1,f=-0.98) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.008 -10.617 -16.071 1.00 0.00 N ATOM 2 CA GLY A 7 -3.721 -11.691 -15.403 1.00 0.00 C ATOM 3 C GLY A 7 -4.608 -11.187 -14.282 1.00 0.00 C ATOM 4 O GLY A 7 -5.827 -11.111 -14.434 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.330 -12.227 -16.131 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.002 -12.405 -15.001 1.00 0.00 H new ATOM 8 N THR A 8 -3.995 -10.840 -13.156 1.00 0.00 N ATOM 9 CA THR A 8 -4.738 -10.339 -12.006 1.00 0.00 C ATOM 10 C THR A 8 -3.835 -9.524 -11.084 1.00 0.00 C ATOM 11 O THR A 8 -3.857 -9.696 -9.865 1.00 0.00 O ATOM 12 CB THR A 8 -5.367 -11.497 -11.234 1.00 0.00 C ATOM 13 OG1 THR A 8 -4.392 -12.472 -10.906 1.00 0.00 O ATOM 14 CG2 THR A 8 -6.475 -12.193 -11.995 1.00 0.00 C ATOM 0 H THR A 8 -2.986 -10.896 -13.015 1.00 0.00 H new ATOM 0 HA THR A 8 -5.530 -9.687 -12.374 1.00 0.00 H new ATOM 0 HB THR A 8 -5.792 -11.047 -10.337 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.815 -13.204 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.878 -13.005 -11.390 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.268 -11.479 -12.218 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.078 -12.597 -12.926 1.00 0.00 H new ATOM 22 N ARG A 9 -3.043 -8.634 -11.674 1.00 0.00 N ATOM 23 CA ARG A 9 -2.134 -7.791 -10.906 1.00 0.00 C ATOM 24 C ARG A 9 -1.478 -6.745 -11.802 1.00 0.00 C ATOM 25 O ARG A 9 -0.616 -7.067 -12.619 1.00 0.00 O ATOM 26 CB ARG A 9 -1.063 -8.647 -10.226 1.00 0.00 C ATOM 27 CG ARG A 9 -1.363 -8.947 -8.767 1.00 0.00 C ATOM 28 CD ARG A 9 -0.090 -9.022 -7.939 1.00 0.00 C ATOM 29 NE ARG A 9 -0.372 -9.071 -6.506 1.00 0.00 N ATOM 30 CZ ARG A 9 0.522 -8.782 -5.563 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.756 -8.425 -5.896 1.00 0.00 N ATOM 32 NH2 ARG A 9 0.182 -8.851 -4.283 1.00 0.00 N ATOM 0 H ARG A 9 -3.013 -8.478 -12.682 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.713 -7.275 -10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.962 -9.587 -10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.103 -8.135 -10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.016 -8.174 -8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.903 -9.891 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.479 -9.906 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.535 -8.156 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.310 -9.343 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.024 -8.371 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.437 -8.205 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.765 -9.126 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.867 -8.630 -3.561 1.00 0.00 H new ATOM 46 N GLU A 10 -1.891 -5.491 -11.642 1.00 0.00 N ATOM 47 CA GLU A 10 -1.342 -4.399 -12.438 1.00 0.00 C ATOM 48 C GLU A 10 -0.698 -3.342 -11.545 1.00 0.00 C ATOM 49 O GLU A 10 -1.274 -2.932 -10.538 1.00 0.00 O ATOM 50 CB GLU A 10 -2.440 -3.761 -13.291 1.00 0.00 C ATOM 51 CG GLU A 10 -3.638 -3.287 -12.485 1.00 0.00 C ATOM 52 CD GLU A 10 -4.399 -2.172 -13.174 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.305 -2.067 -14.416 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.093 -1.405 -12.473 1.00 0.00 O ATOM 0 H GLU A 10 -2.603 -5.207 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.574 -4.811 -13.093 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.020 -2.915 -13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.776 -4.483 -14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.310 -4.127 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.300 -2.942 -11.508 1.00 0.00 H new ATOM 61 N PHE A 11 0.499 -2.905 -11.923 1.00 0.00 N ATOM 62 CA PHE A 11 1.219 -1.894 -11.159 1.00 0.00 C ATOM 63 C PHE A 11 0.638 -0.507 -11.411 1.00 0.00 C ATOM 64 O PHE A 11 0.210 -0.197 -12.524 1.00 0.00 O ATOM 65 CB PHE A 11 2.705 -1.910 -11.523 1.00 0.00 C ATOM 66 CG PHE A 11 3.390 -3.206 -11.190 1.00 0.00 C ATOM 67 CD1 PHE A 11 3.254 -4.308 -12.019 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.168 -3.321 -10.049 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.882 -5.502 -11.715 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.798 -4.512 -9.741 1.00 0.00 C ATOM 71 CZ PHE A 11 4.655 -5.603 -10.575 1.00 0.00 C ATOM 0 H PHE A 11 0.990 -3.235 -12.754 1.00 0.00 H new ATOM 0 HA PHE A 11 1.109 -2.129 -10.100 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.812 -1.716 -12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.208 -1.097 -10.999 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.651 -4.234 -12.912 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.283 -2.471 -9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.768 -6.354 -12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.402 -4.589 -8.849 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.147 -6.534 -10.336 1.00 0.00 H new ATOM 81 N LEU A 12 0.623 0.324 -10.376 1.00 0.00 N ATOM 82 CA LEU A 12 0.090 1.676 -10.491 1.00 0.00 C ATOM 83 C LEU A 12 1.011 2.689 -9.821 1.00 0.00 C ATOM 84 O LEU A 12 1.158 2.700 -8.598 1.00 0.00 O ATOM 85 CB LEU A 12 -1.306 1.751 -9.867 1.00 0.00 C ATOM 86 CG LEU A 12 -2.242 0.602 -10.238 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.163 0.266 -9.076 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.050 0.952 -11.477 1.00 0.00 C ATOM 0 H LEU A 12 0.973 0.086 -9.448 1.00 0.00 H new ATOM 0 HA LEU A 12 0.024 1.921 -11.551 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.202 1.779 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.771 2.690 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.636 -0.277 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.822 -0.555 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.567 -0.029 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.762 1.141 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.711 0.122 -11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.645 1.844 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.374 1.141 -12.311 1.00 0.00 H new ATOM 100 N THR A 13 1.625 3.546 -10.630 1.00 0.00 N ATOM 101 CA THR A 13 2.527 4.570 -10.118 1.00 0.00 C ATOM 102 C THR A 13 1.758 5.845 -9.789 1.00 0.00 C ATOM 103 O THR A 13 0.984 6.341 -10.608 1.00 0.00 O ATOM 104 CB THR A 13 3.624 4.873 -11.141 1.00 0.00 C ATOM 105 OG1 THR A 13 4.290 3.686 -11.530 1.00 0.00 O ATOM 106 CG2 THR A 13 4.668 5.841 -10.628 1.00 0.00 C ATOM 0 H THR A 13 1.514 3.551 -11.644 1.00 0.00 H new ATOM 0 HA THR A 13 2.988 4.194 -9.205 1.00 0.00 H new ATOM 0 HB THR A 13 3.112 5.331 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.986 3.901 -12.185 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.416 6.013 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.191 6.786 -10.368 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.150 5.422 -9.744 1.00 0.00 H new ATOM 114 N PHE A 14 1.965 6.367 -8.584 1.00 0.00 N ATOM 115 CA PHE A 14 1.277 7.579 -8.155 1.00 0.00 C ATOM 116 C PHE A 14 2.254 8.616 -7.613 1.00 0.00 C ATOM 117 O PHE A 14 3.326 8.279 -7.112 1.00 0.00 O ATOM 118 CB PHE A 14 0.234 7.243 -7.088 1.00 0.00 C ATOM 119 CG PHE A 14 -0.819 6.280 -7.560 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.423 6.444 -8.797 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.205 5.213 -6.766 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.391 5.560 -9.234 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.175 4.325 -7.197 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.767 4.500 -8.433 1.00 0.00 C ATOM 0 H PHE A 14 2.600 5.972 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 14 0.782 8.005 -9.028 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.738 6.820 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.248 8.164 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.134 7.272 -9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.744 5.072 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.853 5.698 -10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.469 3.497 -6.569 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.524 3.808 -8.773 1.00 0.00 H new ATOM 134 N GLU A 15 1.862 9.883 -7.708 1.00 0.00 N ATOM 135 CA GLU A 15 2.682 10.987 -7.222 1.00 0.00 C ATOM 136 C GLU A 15 1.917 11.777 -6.167 1.00 0.00 C ATOM 137 O GLU A 15 0.971 12.498 -6.486 1.00 0.00 O ATOM 138 CB GLU A 15 3.082 11.909 -8.378 1.00 0.00 C ATOM 139 CG GLU A 15 3.371 11.172 -9.677 1.00 0.00 C ATOM 140 CD GLU A 15 2.136 11.004 -10.541 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.307 10.124 -10.228 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.997 11.753 -11.530 1.00 0.00 O ATOM 0 H GLU A 15 0.975 10.172 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 15 3.588 10.577 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.282 12.629 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.966 12.477 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.131 11.717 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.786 10.190 -9.449 1.00 0.00 H new ATOM 149 N VAL A 16 2.312 11.620 -4.909 1.00 0.00 N ATOM 150 CA VAL A 16 1.638 12.306 -3.812 1.00 0.00 C ATOM 151 C VAL A 16 2.401 13.552 -3.365 1.00 0.00 C ATOM 152 O VAL A 16 3.483 13.452 -2.786 1.00 0.00 O ATOM 153 CB VAL A 16 1.432 11.376 -2.600 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.156 11.747 -1.859 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.390 9.916 -3.033 1.00 0.00 C ATOM 0 H VAL A 16 3.091 11.027 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 16 0.664 12.610 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 16 2.279 11.505 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.024 11.082 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.225 12.777 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.697 11.649 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.244 9.281 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.566 9.767 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.330 9.653 -3.519 1.00 0.00 H new ATOM 165 N PRO A 17 1.843 14.750 -3.632 1.00 0.00 N ATOM 166 CA PRO A 17 2.471 16.021 -3.260 1.00 0.00 C ATOM 167 C PRO A 17 2.241 16.391 -1.800 1.00 0.00 C ATOM 168 O PRO A 17 1.223 16.993 -1.460 1.00 0.00 O ATOM 169 CB PRO A 17 1.775 17.023 -4.175 1.00 0.00 C ATOM 170 CG PRO A 17 0.410 16.461 -4.374 1.00 0.00 C ATOM 171 CD PRO A 17 0.554 14.960 -4.325 1.00 0.00 C ATOM 0 HA PRO A 17 3.555 15.987 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.734 18.013 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.303 17.128 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.271 16.811 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.005 16.780 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.271 14.497 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.562 14.526 -5.325 1.00 0.00 H new ATOM 179 N LEU A 18 3.199 16.048 -0.938 1.00 0.00 N ATOM 180 CA LEU A 18 3.092 16.363 0.485 1.00 0.00 C ATOM 181 C LEU A 18 3.597 17.771 0.774 1.00 0.00 C ATOM 182 O LEU A 18 3.999 18.087 1.894 1.00 0.00 O ATOM 183 CB LEU A 18 3.870 15.352 1.316 1.00 0.00 C ATOM 184 CG LEU A 18 5.381 15.489 1.227 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.923 16.240 2.439 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.035 14.120 1.110 1.00 0.00 C ATOM 0 H LEU A 18 4.053 15.555 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 18 2.038 16.312 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.570 15.451 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.590 14.348 0.998 1.00 0.00 H new ATOM 0 HG LEU A 18 5.622 16.063 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.006 16.328 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.480 17.235 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.671 15.694 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.117 14.238 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.785 13.521 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.672 13.619 0.213 1.00 0.00 H new ATOM 198 N ASN A 19 3.561 18.608 -0.251 1.00 0.00 N ATOM 199 CA ASN A 19 3.996 19.997 -0.159 1.00 0.00 C ATOM 200 C ASN A 19 3.576 20.647 1.162 1.00 0.00 C ATOM 201 O ASN A 19 4.238 21.564 1.646 1.00 0.00 O ATOM 202 CB ASN A 19 3.420 20.786 -1.338 1.00 0.00 C ATOM 203 CG ASN A 19 1.945 21.123 -1.163 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.139 20.134 -0.776 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.533 22.264 -1.374 1.00 0.00 N flip ATOM 0 H ASN A 19 3.227 18.343 -1.178 1.00 0.00 H new ATOM 0 HA ASN A 19 5.085 20.011 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.986 21.709 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.549 20.208 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.181 22.994 -1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.543 22.479 -1.254 1.00 0.00 H new ATOM 212 N ASP A 20 2.472 20.178 1.733 1.00 0.00 N ATOM 213 CA ASP A 20 1.977 20.733 2.987 1.00 0.00 C ATOM 214 C ASP A 20 1.288 19.674 3.845 1.00 0.00 C ATOM 215 O ASP A 20 0.501 20.003 4.733 1.00 0.00 O ATOM 216 CB ASP A 20 1.007 21.883 2.709 1.00 0.00 C ATOM 217 CG ASP A 20 1.137 23.006 3.719 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.481 22.720 4.885 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.895 24.173 3.344 1.00 0.00 O ATOM 0 H ASP A 20 1.906 19.420 1.351 1.00 0.00 H new ATOM 0 HA ASP A 20 2.838 21.105 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.190 22.275 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.015 21.504 2.721 1.00 0.00 H new ATOM 224 N SER A 21 1.590 18.405 3.587 1.00 0.00 N ATOM 225 CA SER A 21 0.995 17.315 4.353 1.00 0.00 C ATOM 226 C SER A 21 2.048 16.603 5.205 1.00 0.00 C ATOM 227 O SER A 21 1.712 15.785 6.061 1.00 0.00 O ATOM 228 CB SER A 21 0.309 16.316 3.421 1.00 0.00 C ATOM 229 OG SER A 21 1.255 15.602 2.649 1.00 0.00 O ATOM 0 H SER A 21 2.239 18.107 2.858 1.00 0.00 H new ATOM 0 HA SER A 21 0.248 17.744 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.287 15.617 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.379 16.844 2.761 1.00 0.00 H new ATOM 0 HG SER A 21 0.788 14.981 2.052 1.00 0.00 H new ATOM 235 N GLY A 22 3.320 16.917 4.963 1.00 0.00 N ATOM 236 CA GLY A 22 4.395 16.297 5.717 1.00 0.00 C ATOM 237 C GLY A 22 4.223 16.449 7.215 1.00 0.00 C ATOM 238 O GLY A 22 4.670 15.602 7.988 1.00 0.00 O ATOM 0 H GLY A 22 3.624 17.589 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.444 15.237 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.345 16.740 5.418 1.00 0.00 H new ATOM 242 N SER A 23 3.569 17.532 7.629 1.00 0.00 N ATOM 243 CA SER A 23 3.336 17.789 9.047 1.00 0.00 C ATOM 244 C SER A 23 2.685 16.582 9.716 1.00 0.00 C ATOM 245 O SER A 23 2.899 16.322 10.899 1.00 0.00 O ATOM 246 CB SER A 23 2.452 19.027 9.223 1.00 0.00 C ATOM 247 OG SER A 23 3.063 19.972 10.087 1.00 0.00 O ATOM 0 H SER A 23 3.192 18.244 7.004 1.00 0.00 H new ATOM 0 HA SER A 23 4.299 17.970 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.265 19.485 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.484 18.732 9.628 1.00 0.00 H new ATOM 0 HG SER A 23 2.480 20.754 10.182 1.00 0.00 H new ATOM 253 N ALA A 24 1.895 15.846 8.943 1.00 0.00 N ATOM 254 CA ALA A 24 1.214 14.661 9.447 1.00 0.00 C ATOM 255 C ALA A 24 1.861 13.387 8.911 1.00 0.00 C ATOM 256 O ALA A 24 1.707 12.310 9.488 1.00 0.00 O ATOM 257 CB ALA A 24 -0.260 14.702 9.072 1.00 0.00 C ATOM 0 H ALA A 24 1.710 16.051 7.961 1.00 0.00 H new ATOM 0 HA ALA A 24 1.303 14.655 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.758 13.811 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.721 15.589 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.359 14.735 7.987 1.00 0.00 H new ATOM 263 N GLY A 25 2.586 13.517 7.802 1.00 0.00 N ATOM 264 CA GLY A 25 3.244 12.372 7.205 1.00 0.00 C ATOM 265 C GLY A 25 2.569 11.926 5.923 1.00 0.00 C ATOM 266 O GLY A 25 2.177 10.768 5.788 1.00 0.00 O ATOM 0 H GLY A 25 2.728 14.398 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.285 12.621 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.249 11.546 7.917 1.00 0.00 H new ATOM 270 N LEU A 26 2.434 12.859 4.982 1.00 0.00 N ATOM 271 CA LEU A 26 1.804 12.581 3.692 1.00 0.00 C ATOM 272 C LEU A 26 0.282 12.547 3.810 1.00 0.00 C ATOM 273 O LEU A 26 -0.416 13.271 3.101 1.00 0.00 O ATOM 274 CB LEU A 26 2.311 11.262 3.101 1.00 0.00 C ATOM 275 CG LEU A 26 2.015 11.063 1.612 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.378 12.309 0.819 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.771 9.859 1.078 1.00 0.00 C ATOM 0 H LEU A 26 2.755 13.821 5.090 1.00 0.00 H new ATOM 0 HA LEU A 26 2.079 13.394 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.389 11.204 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.866 10.437 3.658 1.00 0.00 H new ATOM 0 HG LEU A 26 0.946 10.883 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.159 12.145 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.795 13.155 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.440 12.521 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.550 9.731 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.842 10.014 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.465 8.966 1.623 1.00 0.00 H new ATOM 289 N GLY A 27 -0.229 11.704 4.704 1.00 0.00 N ATOM 290 CA GLY A 27 -1.660 11.600 4.881 1.00 0.00 C ATOM 291 C GLY A 27 -2.195 10.243 4.472 1.00 0.00 C ATOM 292 O GLY A 27 -3.058 10.145 3.600 1.00 0.00 O ATOM 0 H GLY A 27 0.324 11.094 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.909 11.786 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.153 12.374 4.293 1.00 0.00 H new ATOM 296 N VAL A 28 -1.690 9.192 5.111 1.00 0.00 N ATOM 297 CA VAL A 28 -2.130 7.832 4.815 1.00 0.00 C ATOM 298 C VAL A 28 -1.492 6.822 5.763 1.00 0.00 C ATOM 299 O VAL A 28 -0.410 7.055 6.304 1.00 0.00 O ATOM 300 CB VAL A 28 -1.807 7.414 3.359 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.063 7.433 2.503 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.730 8.305 2.756 1.00 0.00 C ATOM 0 H VAL A 28 -0.976 9.256 5.837 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.212 7.833 4.950 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.422 6.394 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.814 7.136 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.794 6.738 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.483 8.439 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.525 7.987 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.074 9.339 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.181 8.227 3.350 1.00 0.00 H new ATOM 312 N SER A 29 -2.167 5.692 5.945 1.00 0.00 N ATOM 313 CA SER A 29 -1.673 4.629 6.811 1.00 0.00 C ATOM 314 C SER A 29 -1.732 3.292 6.083 1.00 0.00 C ATOM 315 O SER A 29 -2.640 3.051 5.289 1.00 0.00 O ATOM 316 CB SER A 29 -2.496 4.564 8.099 1.00 0.00 C ATOM 317 OG SER A 29 -1.683 4.222 9.208 1.00 0.00 O ATOM 0 H SER A 29 -3.063 5.489 5.501 1.00 0.00 H new ATOM 0 HA SER A 29 -0.637 4.845 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.974 5.527 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.293 3.829 7.988 1.00 0.00 H new ATOM 0 HG SER A 29 -2.233 4.189 10.019 1.00 0.00 H new ATOM 323 N VAL A 30 -0.757 2.427 6.345 1.00 0.00 N ATOM 324 CA VAL A 30 -0.712 1.122 5.697 1.00 0.00 C ATOM 325 C VAL A 30 -0.332 0.020 6.677 1.00 0.00 C ATOM 326 O VAL A 30 0.548 0.197 7.520 1.00 0.00 O ATOM 327 CB VAL A 30 0.286 1.110 4.523 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.292 1.844 3.324 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.613 1.723 4.944 1.00 0.00 C ATOM 0 H VAL A 30 0.007 2.605 6.997 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.716 0.932 5.319 1.00 0.00 H new ATOM 0 HB VAL A 30 0.466 0.075 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.427 1.825 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.214 1.356 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.503 2.878 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.305 1.706 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.453 2.753 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.033 1.150 5.770 1.00 0.00 H new ATOM 339 N LYS A 31 -1.000 -1.122 6.552 1.00 0.00 N ATOM 340 CA LYS A 31 -0.734 -2.263 7.417 1.00 0.00 C ATOM 341 C LYS A 31 -0.149 -3.419 6.612 1.00 0.00 C ATOM 342 O LYS A 31 -0.409 -3.547 5.416 1.00 0.00 O ATOM 343 CB LYS A 31 -2.014 -2.696 8.139 1.00 0.00 C ATOM 344 CG LYS A 31 -3.197 -2.897 7.211 1.00 0.00 C ATOM 345 CD LYS A 31 -2.958 -4.065 6.279 1.00 0.00 C ATOM 346 CE LYS A 31 -4.238 -4.840 6.014 1.00 0.00 C ATOM 347 NZ LYS A 31 -5.224 -4.037 5.239 1.00 0.00 N ATOM 0 H LYS A 31 -1.731 -1.281 5.858 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.002 -1.966 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.822 -3.625 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.272 -1.945 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.099 -3.073 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.366 -1.991 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.550 -3.701 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.212 -4.731 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.003 -5.753 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.682 -5.143 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.751 -4.661 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.887 -3.575 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.723 -3.313 4.685 1.00 0.00 H new ATOM 361 N GLY A 32 0.647 -4.253 7.270 1.00 0.00 N ATOM 362 CA GLY A 32 1.260 -5.377 6.591 1.00 0.00 C ATOM 363 C GLY A 32 0.591 -6.696 6.926 1.00 0.00 C ATOM 364 O GLY A 32 0.118 -6.894 8.045 1.00 0.00 O ATOM 0 H GLY A 32 0.878 -4.171 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.215 -5.214 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.314 -5.429 6.862 1.00 0.00 H new ATOM 368 N ASN A 33 0.552 -7.599 5.952 1.00 0.00 N ATOM 369 CA ASN A 33 -0.063 -8.905 6.150 1.00 0.00 C ATOM 370 C ASN A 33 0.848 -10.018 5.643 1.00 0.00 C ATOM 371 O ASN A 33 1.577 -9.844 4.667 1.00 0.00 O ATOM 372 CB ASN A 33 -1.415 -8.969 5.434 1.00 0.00 C ATOM 373 CG ASN A 33 -2.575 -8.678 6.365 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.431 -9.534 6.594 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.610 -7.466 6.906 1.00 0.00 N ATOM 0 H ASN A 33 0.938 -7.450 5.020 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.219 -9.047 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.423 -8.252 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.544 -9.958 4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.368 -7.212 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.879 -6.789 6.688 1.00 0.00 H new ATOM 382 N ARG A 34 0.798 -11.164 6.314 1.00 0.00 N ATOM 383 CA ARG A 34 1.616 -12.309 5.935 1.00 0.00 C ATOM 384 C ARG A 34 0.796 -13.322 5.144 1.00 0.00 C ATOM 385 O ARG A 34 -0.433 -13.263 5.126 1.00 0.00 O ATOM 386 CB ARG A 34 2.210 -12.973 7.178 1.00 0.00 C ATOM 387 CG ARG A 34 3.439 -12.262 7.720 1.00 0.00 C ATOM 388 CD ARG A 34 3.464 -12.265 9.242 1.00 0.00 C ATOM 389 NE ARG A 34 3.283 -10.925 9.794 1.00 0.00 N ATOM 390 CZ ARG A 34 3.501 -10.614 11.070 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.907 -11.543 11.928 1.00 0.00 N ATOM 392 NH2 ARG A 34 3.313 -9.371 11.490 1.00 0.00 N ATOM 0 H ARG A 34 0.199 -11.324 7.124 1.00 0.00 H new ATOM 0 HA ARG A 34 2.428 -11.951 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.449 -13.011 7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.473 -14.003 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.338 -12.748 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.455 -11.234 7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.678 -12.921 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.413 -12.675 9.588 1.00 0.00 H new ATOM 0 HE ARG A 34 2.972 -10.185 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.054 -12.501 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.072 -11.298 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.001 -8.653 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.480 -9.132 12.468 1.00 0.00 H new ATOM 406 N SER A 35 1.485 -14.253 4.491 1.00 0.00 N ATOM 407 CA SER A 35 0.822 -15.281 3.698 1.00 0.00 C ATOM 408 C SER A 35 -0.177 -16.065 4.544 1.00 0.00 C ATOM 409 O SER A 35 0.162 -16.572 5.614 1.00 0.00 O ATOM 410 CB SER A 35 1.857 -16.232 3.092 1.00 0.00 C ATOM 411 OG SER A 35 1.530 -16.555 1.751 1.00 0.00 O ATOM 0 H SER A 35 2.503 -14.316 4.496 1.00 0.00 H new ATOM 0 HA SER A 35 0.276 -14.788 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.844 -15.771 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.909 -17.144 3.687 1.00 0.00 H new ATOM 0 HG SER A 35 2.207 -17.162 1.386 1.00 0.00 H new ATOM 417 N LYS A 36 -1.409 -16.161 4.059 1.00 0.00 N ATOM 418 CA LYS A 36 -2.455 -16.886 4.771 1.00 0.00 C ATOM 419 C LYS A 36 -2.084 -18.356 4.945 1.00 0.00 C ATOM 420 O LYS A 36 -2.642 -19.051 5.794 1.00 0.00 O ATOM 421 CB LYS A 36 -3.785 -16.769 4.022 1.00 0.00 C ATOM 422 CG LYS A 36 -4.290 -15.341 3.896 1.00 0.00 C ATOM 423 CD LYS A 36 -4.713 -14.775 5.244 1.00 0.00 C ATOM 424 CE LYS A 36 -3.745 -13.711 5.735 1.00 0.00 C ATOM 425 NZ LYS A 36 -4.299 -12.338 5.572 1.00 0.00 N ATOM 0 H LYS A 36 -1.708 -15.746 3.176 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.560 -16.440 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.669 -17.194 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.536 -17.367 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.508 -14.715 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.135 -15.313 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.712 -14.348 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.770 -15.581 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.515 -13.887 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.807 -13.792 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.709 -11.661 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.305 -12.084 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.270 -12.309 5.942 1.00 0.00 H new ATOM 439 N GLU A 37 -1.140 -18.827 4.133 1.00 0.00 N ATOM 440 CA GLU A 37 -0.699 -20.214 4.196 1.00 0.00 C ATOM 441 C GLU A 37 0.539 -20.364 5.079 1.00 0.00 C ATOM 442 O GLU A 37 0.833 -21.453 5.569 1.00 0.00 O ATOM 443 CB GLU A 37 -0.396 -20.735 2.789 1.00 0.00 C ATOM 444 CG GLU A 37 -0.773 -22.191 2.581 1.00 0.00 C ATOM 445 CD GLU A 37 -0.184 -23.106 3.638 1.00 0.00 C ATOM 446 OE1 GLU A 37 1.022 -23.419 3.546 1.00 0.00 O ATOM 447 OE2 GLU A 37 -0.927 -23.506 4.558 1.00 0.00 O ATOM 0 H GLU A 37 -0.667 -18.266 3.424 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.505 -20.801 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.931 -20.123 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.668 -20.612 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.859 -22.285 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.432 -22.513 1.597 1.00 0.00 H new ATOM 454 N ASN A 38 1.265 -19.266 5.273 1.00 0.00 N ATOM 455 CA ASN A 38 2.474 -19.290 6.091 1.00 0.00 C ATOM 456 C ASN A 38 2.919 -17.876 6.455 1.00 0.00 C ATOM 457 O ASN A 38 2.566 -16.910 5.779 1.00 0.00 O ATOM 458 CB ASN A 38 3.597 -20.019 5.348 1.00 0.00 C ATOM 459 CG ASN A 38 4.087 -19.255 4.128 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.202 -19.044 3.160 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 5.252 -18.859 4.060 1.00 0.00 N flip ATOM 0 H ASN A 38 1.039 -18.353 4.877 1.00 0.00 H new ATOM 0 HA ASN A 38 2.249 -19.824 7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.432 -20.181 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.243 -21.002 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.899 -19.043 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.569 -18.347 3.237 1.00 0.00 H new ATOM 468 N HIS A 39 3.698 -17.764 7.525 1.00 0.00 N ATOM 469 CA HIS A 39 4.194 -16.468 7.976 1.00 0.00 C ATOM 470 C HIS A 39 5.120 -15.847 6.936 1.00 0.00 C ATOM 471 O HIS A 39 6.342 -15.889 7.072 1.00 0.00 O ATOM 472 CB HIS A 39 4.930 -16.617 9.310 1.00 0.00 C ATOM 473 CG HIS A 39 4.065 -16.357 10.504 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.247 -16.986 11.716 1.00 0.00 N ATOM 475 CD2 HIS A 39 3.006 -15.527 10.667 1.00 0.00 C ATOM 476 CE1 HIS A 39 3.338 -16.556 12.574 1.00 0.00 C ATOM 477 NE2 HIS A 39 2.573 -15.672 11.962 1.00 0.00 N ATOM 0 H HIS A 39 4.000 -18.554 8.096 1.00 0.00 H new ATOM 0 HA HIS A 39 3.338 -15.807 8.113 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.338 -17.625 9.380 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.776 -15.929 9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.582 -14.874 9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.238 -16.874 13.601 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.787 -15.176 12.383 1.00 0.00 H new ATOM 486 N ALA A 40 4.526 -15.274 5.893 1.00 0.00 N ATOM 487 CA ALA A 40 5.293 -14.645 4.827 1.00 0.00 C ATOM 488 C ALA A 40 4.748 -13.258 4.502 1.00 0.00 C ATOM 489 O ALA A 40 3.719 -13.123 3.840 1.00 0.00 O ATOM 490 CB ALA A 40 5.282 -15.524 3.584 1.00 0.00 C ATOM 0 H ALA A 40 3.515 -15.233 5.765 1.00 0.00 H new ATOM 0 HA ALA A 40 6.321 -14.530 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.859 -15.044 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.725 -16.492 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.255 -15.667 3.248 1.00 0.00 H new ATOM 496 N ASP A 41 5.443 -12.227 4.975 1.00 0.00 N ATOM 497 CA ASP A 41 5.028 -10.850 4.737 1.00 0.00 C ATOM 498 C ASP A 41 4.877 -10.574 3.243 1.00 0.00 C ATOM 499 O ASP A 41 5.866 -10.508 2.512 1.00 0.00 O ATOM 500 CB ASP A 41 6.039 -9.878 5.347 1.00 0.00 C ATOM 501 CG ASP A 41 6.177 -10.053 6.846 1.00 0.00 C ATOM 502 OD1 ASP A 41 5.177 -9.840 7.563 1.00 0.00 O ATOM 503 OD2 ASP A 41 7.285 -10.405 7.303 1.00 0.00 O ATOM 0 H ASP A 41 6.297 -12.320 5.526 1.00 0.00 H new ATOM 0 HA ASP A 41 4.059 -10.703 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.011 -10.026 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.732 -8.855 5.130 1.00 0.00 H new ATOM 508 N LEU A 42 3.635 -10.416 2.798 1.00 0.00 N ATOM 509 CA LEU A 42 3.357 -10.149 1.392 1.00 0.00 C ATOM 510 C LEU A 42 3.602 -8.683 1.057 1.00 0.00 C ATOM 511 O LEU A 42 4.111 -8.357 -0.017 1.00 0.00 O ATOM 512 CB LEU A 42 1.911 -10.524 1.058 1.00 0.00 C ATOM 513 CG LEU A 42 1.498 -11.939 1.464 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.044 -11.965 1.911 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.721 -12.910 0.314 1.00 0.00 C ATOM 0 H LEU A 42 2.806 -10.468 3.390 1.00 0.00 H new ATOM 0 HA LEU A 42 4.033 -10.758 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.245 -9.813 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.762 -10.413 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 42 2.120 -12.251 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.231 -12.981 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.086 -11.301 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.594 -11.632 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.422 -13.912 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.125 -12.600 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.776 -12.914 0.041 1.00 0.00 H new ATOM 527 N GLY A 43 3.238 -7.802 1.982 1.00 0.00 N ATOM 528 CA GLY A 43 3.426 -6.380 1.766 1.00 0.00 C ATOM 529 C GLY A 43 2.493 -5.536 2.612 1.00 0.00 C ATOM 530 O GLY A 43 1.892 -6.032 3.567 1.00 0.00 O ATOM 0 H GLY A 43 2.816 -8.047 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.458 -6.114 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.263 -6.151 0.713 1.00 0.00 H new ATOM 534 N ILE A 44 2.372 -4.259 2.260 1.00 0.00 N ATOM 535 CA ILE A 44 1.506 -3.342 2.994 1.00 0.00 C ATOM 536 C ILE A 44 0.374 -2.832 2.107 1.00 0.00 C ATOM 537 O ILE A 44 0.548 -2.645 0.903 1.00 0.00 O ATOM 538 CB ILE A 44 2.285 -2.128 3.558 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.789 -2.279 3.319 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.001 -1.957 5.041 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.419 -3.426 4.084 1.00 0.00 C ATOM 0 H ILE A 44 2.862 -3.836 1.472 1.00 0.00 H new ATOM 0 HA ILE A 44 1.095 -3.910 3.829 1.00 0.00 H new ATOM 0 HB ILE A 44 1.946 -1.236 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.965 -2.426 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.287 -1.351 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.556 -1.100 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.934 -1.794 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.309 -2.855 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.486 -3.468 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.276 -3.272 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.949 -4.363 3.786 1.00 0.00 H new ATOM 553 N PHE A 45 -0.787 -2.612 2.715 1.00 0.00 N ATOM 554 CA PHE A 45 -1.959 -2.124 1.991 1.00 0.00 C ATOM 555 C PHE A 45 -2.490 -0.848 2.632 1.00 0.00 C ATOM 556 O PHE A 45 -2.448 -0.694 3.853 1.00 0.00 O ATOM 557 CB PHE A 45 -3.064 -3.187 1.970 1.00 0.00 C ATOM 558 CG PHE A 45 -2.564 -4.597 2.113 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.475 -5.040 1.380 1.00 0.00 C ATOM 560 CD2 PHE A 45 -3.184 -5.480 2.982 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.013 -6.335 1.513 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.726 -6.776 3.121 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.639 -7.204 2.384 1.00 0.00 C ATOM 0 H PHE A 45 -0.943 -2.764 3.711 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.656 -1.909 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.768 -2.979 2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.617 -3.102 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.981 -4.365 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.036 -5.151 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.163 -6.667 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.217 -7.453 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.279 -8.217 2.489 1.00 0.00 H new ATOM 573 N VAL A 46 -2.995 0.065 1.807 1.00 0.00 N ATOM 574 CA VAL A 46 -3.538 1.322 2.312 1.00 0.00 C ATOM 575 C VAL A 46 -4.642 1.058 3.333 1.00 0.00 C ATOM 576 O VAL A 46 -5.757 0.679 2.975 1.00 0.00 O ATOM 577 CB VAL A 46 -4.098 2.197 1.174 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.531 3.556 1.705 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.072 2.356 0.061 1.00 0.00 C ATOM 0 H VAL A 46 -3.040 -0.041 0.793 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.717 1.858 2.790 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.974 1.697 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.923 4.159 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.306 3.422 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.675 4.062 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.489 2.977 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.174 2.829 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.818 1.376 -0.342 1.00 0.00 H new ATOM 589 N LYS A 47 -4.316 1.255 4.605 1.00 0.00 N ATOM 590 CA LYS A 47 -5.267 1.034 5.688 1.00 0.00 C ATOM 591 C LYS A 47 -6.253 2.191 5.792 1.00 0.00 C ATOM 592 O LYS A 47 -7.444 1.984 6.026 1.00 0.00 O ATOM 593 CB LYS A 47 -4.519 0.861 7.012 1.00 0.00 C ATOM 594 CG LYS A 47 -5.431 0.663 8.212 1.00 0.00 C ATOM 595 CD LYS A 47 -5.782 -0.804 8.412 1.00 0.00 C ATOM 596 CE LYS A 47 -7.278 -1.000 8.603 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.587 -2.289 9.283 1.00 0.00 N ATOM 0 H LYS A 47 -3.396 1.569 4.913 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.829 0.126 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.850 0.004 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.895 1.738 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.943 1.046 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.345 1.241 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.446 -1.380 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.250 -1.191 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.680 -0.174 9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.774 -0.973 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.617 -2.385 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.226 -3.079 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.135 -2.305 10.219 1.00 0.00 H new ATOM 611 N SER A 48 -5.752 3.407 5.620 1.00 0.00 N ATOM 612 CA SER A 48 -6.594 4.594 5.698 1.00 0.00 C ATOM 613 C SER A 48 -5.925 5.781 5.014 1.00 0.00 C ATOM 614 O SER A 48 -4.768 5.700 4.602 1.00 0.00 O ATOM 615 CB SER A 48 -6.896 4.937 7.159 1.00 0.00 C ATOM 616 OG SER A 48 -8.175 5.534 7.288 1.00 0.00 O ATOM 0 H SER A 48 -4.769 3.598 5.426 1.00 0.00 H new ATOM 0 HA SER A 48 -7.530 4.379 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.850 4.032 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.134 5.616 7.542 1.00 0.00 H new ATOM 0 HG SER A 48 -8.345 5.742 8.230 1.00 0.00 H new ATOM 622 N ILE A 49 -6.660 6.880 4.896 1.00 0.00 N ATOM 623 CA ILE A 49 -6.134 8.081 4.260 1.00 0.00 C ATOM 624 C ILE A 49 -6.541 9.336 5.020 1.00 0.00 C ATOM 625 O ILE A 49 -7.527 9.340 5.758 1.00 0.00 O ATOM 626 CB ILE A 49 -6.617 8.199 2.801 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.483 6.855 2.080 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.837 9.281 2.072 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.964 6.886 0.645 1.00 0.00 C ATOM 0 H ILE A 49 -7.620 6.964 5.231 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.048 7.993 4.273 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.671 8.479 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.438 6.546 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.048 6.101 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.189 9.353 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.985 10.237 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.776 9.030 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.839 5.900 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.018 7.164 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.383 7.616 0.082 1.00 0.00 H new ATOM 641 N ILE A 50 -5.771 10.400 4.832 1.00 0.00 N ATOM 642 CA ILE A 50 -6.035 11.671 5.489 1.00 0.00 C ATOM 643 C ILE A 50 -6.636 12.662 4.497 1.00 0.00 C ATOM 644 O ILE A 50 -5.907 13.358 3.793 1.00 0.00 O ATOM 645 CB ILE A 50 -4.740 12.274 6.090 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.254 11.443 7.282 1.00 0.00 C ATOM 647 CG2 ILE A 50 -4.967 13.719 6.518 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.776 10.056 6.919 1.00 0.00 C ATOM 0 H ILE A 50 -4.952 10.406 4.224 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.741 11.484 6.298 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.971 12.255 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.442 11.977 7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.065 11.358 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.046 14.123 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.263 14.312 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.755 13.756 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.450 9.536 7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.591 9.501 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.942 10.130 6.221 1.00 0.00 H new ATOM 660 N ASN A 51 -7.964 12.718 4.450 1.00 0.00 N ATOM 661 CA ASN A 51 -8.661 13.625 3.540 1.00 0.00 C ATOM 662 C ASN A 51 -8.326 15.080 3.858 1.00 0.00 C ATOM 663 O ASN A 51 -9.147 15.815 4.406 1.00 0.00 O ATOM 664 CB ASN A 51 -10.173 13.411 3.614 1.00 0.00 C ATOM 665 CG ASN A 51 -10.671 13.198 5.031 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.149 12.117 5.378 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.561 14.230 5.861 1.00 0.00 N ATOM 0 H ASN A 51 -8.579 12.147 5.030 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.324 13.403 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.679 14.275 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.443 12.548 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.879 14.144 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.159 15.108 5.533 1.00 0.00 H new ATOM 674 N GLY A 52 -7.112 15.483 3.510 1.00 0.00 N ATOM 675 CA GLY A 52 -6.672 16.841 3.757 1.00 0.00 C ATOM 676 C GLY A 52 -5.303 17.119 3.167 1.00 0.00 C ATOM 677 O GLY A 52 -4.992 18.259 2.820 1.00 0.00 O ATOM 0 H GLY A 52 -6.419 14.888 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.396 17.538 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.646 17.022 4.832 1.00 0.00 H new ATOM 681 N GLY A 53 -4.481 16.078 3.053 1.00 0.00 N ATOM 682 CA GLY A 53 -3.150 16.247 2.502 1.00 0.00 C ATOM 683 C GLY A 53 -3.003 15.635 1.123 1.00 0.00 C ATOM 684 O GLY A 53 -3.990 15.294 0.473 1.00 0.00 O ATOM 0 H GLY A 53 -4.713 15.125 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.916 17.310 2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.423 15.793 3.175 1.00 0.00 H new ATOM 688 N ALA A 54 -1.759 15.511 0.678 1.00 0.00 N ATOM 689 CA ALA A 54 -1.447 14.955 -0.633 1.00 0.00 C ATOM 690 C ALA A 54 -2.218 13.676 -0.939 1.00 0.00 C ATOM 691 O ALA A 54 -2.882 13.579 -1.969 1.00 0.00 O ATOM 692 CB ALA A 54 0.045 14.696 -0.730 1.00 0.00 C ATOM 0 H ALA A 54 -0.939 15.793 1.215 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.755 15.691 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.279 14.280 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.586 15.632 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.343 13.989 0.045 1.00 0.00 H new ATOM 698 N ALA A 55 -2.117 12.692 -0.057 1.00 0.00 N ATOM 699 CA ALA A 55 -2.798 11.416 -0.262 1.00 0.00 C ATOM 700 C ALA A 55 -4.278 11.621 -0.570 1.00 0.00 C ATOM 701 O ALA A 55 -4.884 10.840 -1.304 1.00 0.00 O ATOM 702 CB ALA A 55 -2.626 10.519 0.953 1.00 0.00 C ATOM 0 H ALA A 55 -1.574 12.749 0.804 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.342 10.928 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.140 9.573 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.565 10.331 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.049 11.009 1.830 1.00 0.00 H new ATOM 708 N SER A 56 -4.849 12.681 -0.016 1.00 0.00 N ATOM 709 CA SER A 56 -6.253 12.998 -0.242 1.00 0.00 C ATOM 710 C SER A 56 -6.442 13.604 -1.624 1.00 0.00 C ATOM 711 O SER A 56 -7.156 13.061 -2.466 1.00 0.00 O ATOM 712 CB SER A 56 -6.749 13.974 0.817 1.00 0.00 C ATOM 713 OG SER A 56 -8.087 14.366 0.563 1.00 0.00 O ATOM 0 H SER A 56 -4.361 13.337 0.594 1.00 0.00 H new ATOM 0 HA SER A 56 -6.830 12.075 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.683 13.511 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.106 14.854 0.835 1.00 0.00 H new ATOM 0 HG SER A 56 -8.330 15.106 1.158 1.00 0.00 H new ATOM 719 N LYS A 57 -5.785 14.737 -1.845 1.00 0.00 N ATOM 720 CA LYS A 57 -5.867 15.432 -3.127 1.00 0.00 C ATOM 721 C LYS A 57 -5.396 14.534 -4.267 1.00 0.00 C ATOM 722 O LYS A 57 -5.780 14.728 -5.421 1.00 0.00 O ATOM 723 CB LYS A 57 -5.044 16.725 -3.103 1.00 0.00 C ATOM 724 CG LYS A 57 -3.736 16.623 -2.336 1.00 0.00 C ATOM 725 CD LYS A 57 -3.606 17.739 -1.312 1.00 0.00 C ATOM 726 CE LYS A 57 -2.168 18.211 -1.185 1.00 0.00 C ATOM 727 NZ LYS A 57 -2.079 19.683 -0.970 1.00 0.00 N ATOM 0 H LYS A 57 -5.190 15.195 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.913 15.688 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.827 17.022 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.648 17.518 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.681 15.657 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.899 16.667 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.241 18.576 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.962 17.389 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.689 17.694 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.618 17.943 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.080 19.965 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.528 20.178 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.567 19.935 -0.087 1.00 0.00 H new ATOM 741 N ASP A 58 -4.564 13.551 -3.937 1.00 0.00 N ATOM 742 CA ASP A 58 -4.039 12.624 -4.932 1.00 0.00 C ATOM 743 C ASP A 58 -5.170 11.916 -5.674 1.00 0.00 C ATOM 744 O ASP A 58 -5.189 11.877 -6.904 1.00 0.00 O ATOM 745 CB ASP A 58 -3.129 11.593 -4.264 1.00 0.00 C ATOM 746 CG ASP A 58 -1.662 11.849 -4.548 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.332 12.957 -5.017 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.844 10.940 -4.301 1.00 0.00 O ATOM 0 H ASP A 58 -4.239 13.376 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.461 13.198 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.296 11.608 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.396 10.596 -4.614 1.00 0.00 H new ATOM 753 N GLY A 59 -6.110 11.360 -4.918 1.00 0.00 N ATOM 754 CA GLY A 59 -7.230 10.661 -5.520 1.00 0.00 C ATOM 755 C GLY A 59 -6.798 9.424 -6.282 1.00 0.00 C ATOM 756 O GLY A 59 -7.285 9.162 -7.383 1.00 0.00 O ATOM 0 H GLY A 59 -6.116 11.381 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.938 10.376 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.755 11.336 -6.196 1.00 0.00 H new ATOM 760 N ARG A 60 -5.880 8.662 -5.698 1.00 0.00 N ATOM 761 CA ARG A 60 -5.377 7.445 -6.329 1.00 0.00 C ATOM 762 C ARG A 60 -5.220 6.332 -5.301 1.00 0.00 C ATOM 763 O ARG A 60 -5.855 5.282 -5.399 1.00 0.00 O ATOM 764 CB ARG A 60 -4.038 7.719 -7.011 1.00 0.00 C ATOM 765 CG ARG A 60 -4.028 9.012 -7.802 1.00 0.00 C ATOM 766 CD ARG A 60 -2.617 9.471 -8.125 1.00 0.00 C ATOM 767 NE ARG A 60 -2.371 10.814 -7.618 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.467 11.652 -8.125 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.703 11.280 -9.145 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.326 12.865 -7.610 1.00 0.00 N ATOM 0 H ARG A 60 -5.468 8.865 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.099 7.124 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.253 7.756 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.800 6.890 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.585 8.874 -8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.541 9.788 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.898 8.778 -7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.464 9.453 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.926 11.134 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.806 10.348 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.013 11.927 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.909 13.157 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.634 13.506 -7.998 1.00 0.00 H new ATOM 784 N LEU A 61 -4.365 6.578 -4.315 1.00 0.00 N ATOM 785 CA LEU A 61 -4.105 5.617 -3.247 1.00 0.00 C ATOM 786 C LEU A 61 -5.404 5.029 -2.705 1.00 0.00 C ATOM 787 O LEU A 61 -6.035 5.606 -1.819 1.00 0.00 O ATOM 788 CB LEU A 61 -3.335 6.300 -2.114 1.00 0.00 C ATOM 789 CG LEU A 61 -3.755 7.743 -1.840 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.772 8.023 -0.348 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.831 8.717 -2.558 1.00 0.00 C ATOM 0 H LEU A 61 -3.834 7.445 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.509 4.803 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.465 5.718 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.272 6.284 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.765 7.883 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.074 9.056 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.479 7.352 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.776 7.862 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.147 9.739 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.809 8.575 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.874 8.535 -3.632 1.00 0.00 H new ATOM 803 N ARG A 62 -5.802 3.880 -3.243 1.00 0.00 N ATOM 804 CA ARG A 62 -7.027 3.220 -2.811 1.00 0.00 C ATOM 805 C ARG A 62 -6.806 2.475 -1.497 1.00 0.00 C ATOM 806 O ARG A 62 -5.760 1.865 -1.288 1.00 0.00 O ATOM 807 CB ARG A 62 -7.515 2.250 -3.891 1.00 0.00 C ATOM 808 CG ARG A 62 -8.968 2.458 -4.284 1.00 0.00 C ATOM 809 CD ARG A 62 -9.119 3.606 -5.270 1.00 0.00 C ATOM 810 NE ARG A 62 -8.606 4.862 -4.730 1.00 0.00 N ATOM 811 CZ ARG A 62 -9.265 5.618 -3.854 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.463 5.247 -3.419 1.00 0.00 N ATOM 813 NH2 ARG A 62 -8.726 6.746 -3.414 1.00 0.00 N ATOM 0 H ARG A 62 -5.294 3.388 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.788 3.983 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.889 2.360 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.386 1.228 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.361 1.543 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.562 2.662 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.589 3.364 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.171 3.726 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.688 5.179 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.882 4.380 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.965 5.829 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.806 7.035 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.231 7.325 -2.743 1.00 0.00 H new ATOM 827 N VAL A 63 -7.800 2.536 -0.616 1.00 0.00 N ATOM 828 CA VAL A 63 -7.715 1.871 0.679 1.00 0.00 C ATOM 829 C VAL A 63 -7.735 0.353 0.524 1.00 0.00 C ATOM 830 O VAL A 63 -8.703 -0.309 0.896 1.00 0.00 O ATOM 831 CB VAL A 63 -8.872 2.297 1.604 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.643 1.782 3.017 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.030 3.811 1.601 1.00 0.00 C ATOM 0 H VAL A 63 -8.673 3.039 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.769 2.173 1.127 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.795 1.858 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.470 2.092 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.584 0.694 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.710 2.190 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.852 4.092 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.108 4.274 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.244 4.153 0.588 1.00 0.00 H new ATOM 843 N ASN A 64 -6.654 -0.196 -0.031 1.00 0.00 N ATOM 844 CA ASN A 64 -6.540 -1.640 -0.239 1.00 0.00 C ATOM 845 C ASN A 64 -5.342 -1.983 -1.125 1.00 0.00 C ATOM 846 O ASN A 64 -4.810 -3.090 -1.061 1.00 0.00 O ATOM 847 CB ASN A 64 -7.819 -2.201 -0.870 1.00 0.00 C ATOM 848 CG ASN A 64 -8.363 -1.310 -1.968 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.881 -1.335 -3.100 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.373 -0.516 -1.637 1.00 0.00 N ATOM 0 H ASN A 64 -5.844 0.338 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.391 -2.097 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.615 -3.191 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.578 -2.324 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.782 0.107 -2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.741 -0.529 -0.686 1.00 0.00 H new ATOM 857 N ASP A 65 -4.925 -1.029 -1.956 1.00 0.00 N ATOM 858 CA ASP A 65 -3.797 -1.235 -2.856 1.00 0.00 C ATOM 859 C ASP A 65 -2.547 -1.649 -2.086 1.00 0.00 C ATOM 860 O ASP A 65 -2.289 -1.152 -0.990 1.00 0.00 O ATOM 861 CB ASP A 65 -3.517 0.038 -3.657 1.00 0.00 C ATOM 862 CG ASP A 65 -4.577 0.306 -4.708 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.133 -0.672 -5.254 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.852 1.491 -4.985 1.00 0.00 O ATOM 0 H ASP A 65 -5.353 -0.106 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.059 -2.040 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.462 0.887 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.544 -0.047 -4.140 1.00 0.00 H new ATOM 869 N GLN A 66 -1.776 -2.562 -2.671 1.00 0.00 N ATOM 870 CA GLN A 66 -0.552 -3.048 -2.045 1.00 0.00 C ATOM 871 C GLN A 66 0.661 -2.267 -2.539 1.00 0.00 C ATOM 872 O GLN A 66 1.027 -2.346 -3.711 1.00 0.00 O ATOM 873 CB GLN A 66 -0.367 -4.538 -2.339 1.00 0.00 C ATOM 874 CG GLN A 66 0.466 -5.267 -1.295 1.00 0.00 C ATOM 875 CD GLN A 66 1.813 -5.710 -1.828 1.00 0.00 C ATOM 876 OE1 GLN A 66 1.933 -6.772 -2.440 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.838 -4.897 -1.598 1.00 0.00 N ATOM 0 H GLN A 66 -1.979 -2.980 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.640 -2.902 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.347 -5.011 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.108 -4.651 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.617 -4.614 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.084 -6.138 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.694 -4.026 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.769 -5.143 -1.933 1.00 0.00 H new ATOM 886 N LEU A 67 1.283 -1.513 -1.637 1.00 0.00 N ATOM 887 CA LEU A 67 2.457 -0.719 -1.985 1.00 0.00 C ATOM 888 C LEU A 67 3.577 -1.608 -2.513 1.00 0.00 C ATOM 889 O LEU A 67 3.965 -2.584 -1.869 1.00 0.00 O ATOM 890 CB LEU A 67 2.945 0.069 -0.768 1.00 0.00 C ATOM 891 CG LEU A 67 1.887 0.947 -0.101 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.273 1.251 1.338 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.693 2.235 -0.889 1.00 0.00 C ATOM 0 H LEU A 67 0.994 -1.435 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 67 2.172 -0.019 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.330 -0.634 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.780 0.700 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 67 0.942 0.403 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.507 1.877 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.361 0.319 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.228 1.775 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.936 2.850 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.635 2.782 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.369 1.996 -1.902 1.00 0.00 H new ATOM 905 N ILE A 68 4.089 -1.269 -3.690 1.00 0.00 N ATOM 906 CA ILE A 68 5.160 -2.040 -4.307 1.00 0.00 C ATOM 907 C ILE A 68 6.490 -1.294 -4.244 1.00 0.00 C ATOM 908 O ILE A 68 7.552 -1.911 -4.151 1.00 0.00 O ATOM 909 CB ILE A 68 4.840 -2.368 -5.779 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.426 -2.939 -5.900 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.864 -3.344 -6.341 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.251 -4.271 -5.203 1.00 0.00 C ATOM 0 H ILE A 68 3.779 -0.465 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 68 5.242 -2.969 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 68 4.891 -1.447 -6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.717 -2.224 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.179 -3.055 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.623 -3.565 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.858 -2.901 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.845 -4.266 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.225 -4.616 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.935 -5.001 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.467 -4.157 -4.141 1.00 0.00 H new ATOM 924 N ALA A 69 6.430 0.033 -4.299 1.00 0.00 N ATOM 925 CA ALA A 69 7.637 0.850 -4.249 1.00 0.00 C ATOM 926 C ALA A 69 7.322 2.290 -3.859 1.00 0.00 C ATOM 927 O ALA A 69 6.160 2.686 -3.786 1.00 0.00 O ATOM 928 CB ALA A 69 8.350 0.813 -5.594 1.00 0.00 C ATOM 0 H ALA A 69 5.562 0.563 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 69 8.292 0.434 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.250 1.426 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.624 -0.215 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.688 1.201 -6.368 1.00 0.00 H new ATOM 934 N VAL A 70 8.372 3.063 -3.605 1.00 0.00 N ATOM 935 CA VAL A 70 8.221 4.462 -3.219 1.00 0.00 C ATOM 936 C VAL A 70 9.499 5.248 -3.505 1.00 0.00 C ATOM 937 O VAL A 70 10.534 5.017 -2.879 1.00 0.00 O ATOM 938 CB VAL A 70 7.865 4.595 -1.726 1.00 0.00 C ATOM 939 CG1 VAL A 70 8.952 3.977 -0.859 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.636 6.054 -1.354 1.00 0.00 C ATOM 0 H VAL A 70 9.339 2.744 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 70 7.406 4.874 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 70 6.937 4.052 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.682 4.081 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.056 2.920 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.898 4.487 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.386 6.125 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.542 6.626 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.816 6.457 -1.948 1.00 0.00 H new ATOM 950 N ASN A 71 9.423 6.173 -4.458 1.00 0.00 N ATOM 951 CA ASN A 71 10.576 6.991 -4.828 1.00 0.00 C ATOM 952 C ASN A 71 11.776 6.113 -5.170 1.00 0.00 C ATOM 953 O ASN A 71 12.920 6.480 -4.905 1.00 0.00 O ATOM 954 CB ASN A 71 10.942 7.945 -3.692 1.00 0.00 C ATOM 955 CG ASN A 71 9.745 8.712 -3.168 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.103 9.461 -3.903 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.441 8.528 -1.889 1.00 0.00 N ATOM 0 H ASN A 71 8.576 6.375 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 71 10.306 7.573 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.391 7.378 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.696 8.650 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.646 9.018 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.002 7.897 -1.317 1.00 0.00 H new ATOM 964 N GLY A 72 11.504 4.952 -5.753 1.00 0.00 N ATOM 965 CA GLY A 72 12.571 4.038 -6.113 1.00 0.00 C ATOM 966 C GLY A 72 12.786 2.960 -5.067 1.00 0.00 C ATOM 967 O GLY A 72 13.404 1.933 -5.345 1.00 0.00 O ATOM 0 H GLY A 72 10.565 4.627 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.338 3.571 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.496 4.599 -6.249 1.00 0.00 H new ATOM 971 N GLU A 73 12.271 3.194 -3.862 1.00 0.00 N ATOM 972 CA GLU A 73 12.407 2.232 -2.775 1.00 0.00 C ATOM 973 C GLU A 73 11.482 1.041 -2.993 1.00 0.00 C ATOM 974 O GLU A 73 10.317 1.066 -2.600 1.00 0.00 O ATOM 975 CB GLU A 73 12.101 2.899 -1.432 1.00 0.00 C ATOM 976 CG GLU A 73 13.156 2.638 -0.368 1.00 0.00 C ATOM 977 CD GLU A 73 14.424 3.436 -0.597 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.238 3.027 -1.450 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.603 4.472 0.078 1.00 0.00 O ATOM 0 H GLU A 73 11.757 4.040 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 73 13.436 1.873 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.008 3.974 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.136 2.543 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.747 2.885 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.397 1.575 -0.354 1.00 0.00 H new ATOM 986 N SER A 74 12.012 0.001 -3.627 1.00 0.00 N ATOM 987 CA SER A 74 11.238 -1.201 -3.906 1.00 0.00 C ATOM 988 C SER A 74 10.783 -1.867 -2.613 1.00 0.00 C ATOM 989 O SER A 74 11.589 -2.434 -1.876 1.00 0.00 O ATOM 990 CB SER A 74 12.067 -2.182 -4.736 1.00 0.00 C ATOM 991 OG SER A 74 11.266 -3.252 -5.211 1.00 0.00 O ATOM 0 H SER A 74 12.976 -0.033 -3.958 1.00 0.00 H new ATOM 0 HA SER A 74 10.353 -0.912 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.518 -1.659 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.884 -2.576 -4.131 1.00 0.00 H new ATOM 0 HG SER A 74 11.819 -3.864 -5.740 1.00 0.00 H new ATOM 997 N LEU A 75 9.484 -1.796 -2.348 1.00 0.00 N ATOM 998 CA LEU A 75 8.914 -2.394 -1.150 1.00 0.00 C ATOM 999 C LEU A 75 8.923 -3.918 -1.248 1.00 0.00 C ATOM 1000 O LEU A 75 8.895 -4.614 -0.233 1.00 0.00 O ATOM 1001 CB LEU A 75 7.484 -1.892 -0.939 1.00 0.00 C ATOM 1002 CG LEU A 75 7.363 -0.460 -0.414 1.00 0.00 C ATOM 1003 CD1 LEU A 75 5.913 -0.133 -0.096 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.233 -0.268 0.818 1.00 0.00 C ATOM 0 H LEU A 75 8.805 -1.329 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 75 9.525 -2.099 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.949 -1.960 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.981 -2.561 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 75 7.710 0.222 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.844 0.889 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.311 -0.232 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.543 -0.822 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.134 0.756 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.915 -0.959 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.274 -0.464 0.562 1.00 0.00 H new ATOM 1016 N LEU A 76 8.966 -4.431 -2.476 1.00 0.00 N ATOM 1017 CA LEU A 76 8.982 -5.873 -2.701 1.00 0.00 C ATOM 1018 C LEU A 76 10.137 -6.520 -1.943 1.00 0.00 C ATOM 1019 O LEU A 76 11.298 -6.157 -2.131 1.00 0.00 O ATOM 1020 CB LEU A 76 9.093 -6.179 -4.197 1.00 0.00 C ATOM 1021 CG LEU A 76 7.909 -6.947 -4.788 1.00 0.00 C ATOM 1022 CD1 LEU A 76 6.908 -5.988 -5.412 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.388 -7.961 -5.815 1.00 0.00 C ATOM 0 H LEU A 76 8.990 -3.870 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 76 8.046 -6.289 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.204 -5.239 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.003 -6.755 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 76 7.412 -7.485 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.073 -6.553 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.539 -5.301 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.394 -5.422 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.532 -8.497 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.911 -7.444 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.066 -8.669 -5.338 1.00 0.00 H new ATOM 1035 N GLY A 77 9.809 -7.472 -1.076 1.00 0.00 N ATOM 1036 CA GLY A 77 10.827 -8.145 -0.293 1.00 0.00 C ATOM 1037 C GLY A 77 10.869 -7.636 1.133 1.00 0.00 C ATOM 1038 O GLY A 77 11.189 -8.380 2.060 1.00 0.00 O ATOM 0 H GLY A 77 8.855 -7.789 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.633 -9.218 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.801 -7.998 -0.760 1.00 0.00 H new ATOM 1042 N LYS A 78 10.538 -6.360 1.309 1.00 0.00 N ATOM 1043 CA LYS A 78 10.530 -5.743 2.629 1.00 0.00 C ATOM 1044 C LYS A 78 9.349 -6.233 3.443 1.00 0.00 C ATOM 1045 O LYS A 78 8.230 -6.338 2.940 1.00 0.00 O ATOM 1046 CB LYS A 78 10.473 -4.219 2.510 1.00 0.00 C ATOM 1047 CG LYS A 78 11.842 -3.572 2.412 1.00 0.00 C ATOM 1048 CD LYS A 78 11.799 -2.090 2.742 1.00 0.00 C ATOM 1049 CE LYS A 78 10.830 -1.344 1.849 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.505 -0.782 0.647 1.00 0.00 N ATOM 0 H LYS A 78 10.271 -5.732 0.550 1.00 0.00 H new ATOM 0 HA LYS A 78 11.452 -6.027 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.889 -3.952 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.948 -3.813 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.529 -4.075 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.235 -3.707 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.509 -1.958 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.796 -1.664 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.032 -2.018 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.363 -0.537 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.893 -0.065 0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.405 -0.343 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.689 -1.544 -0.036 1.00 0.00 H new ATOM 1064 N ALA A 79 9.605 -6.519 4.708 1.00 0.00 N ATOM 1065 CA ALA A 79 8.566 -6.982 5.601 1.00 0.00 C ATOM 1066 C ALA A 79 7.618 -5.838 5.916 1.00 0.00 C ATOM 1067 O ALA A 79 7.867 -4.695 5.531 1.00 0.00 O ATOM 1068 CB ALA A 79 9.177 -7.540 6.876 1.00 0.00 C ATOM 0 H ALA A 79 10.527 -6.437 5.137 1.00 0.00 H new ATOM 0 HA ALA A 79 8.005 -7.781 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.384 -7.885 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.833 -8.375 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.753 -6.761 7.375 1.00 0.00 H new ATOM 1074 N ASN A 80 6.537 -6.139 6.613 1.00 0.00 N ATOM 1075 CA ASN A 80 5.566 -5.119 6.970 1.00 0.00 C ATOM 1076 C ASN A 80 6.257 -3.910 7.598 1.00 0.00 C ATOM 1077 O ASN A 80 5.966 -2.767 7.252 1.00 0.00 O ATOM 1078 CB ASN A 80 4.530 -5.694 7.936 1.00 0.00 C ATOM 1079 CG ASN A 80 5.172 -6.388 9.121 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.421 -5.770 10.157 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.443 -7.678 8.973 1.00 0.00 N ATOM 0 H ASN A 80 6.309 -7.077 6.942 1.00 0.00 H new ATOM 0 HA ASN A 80 5.061 -4.792 6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.885 -4.891 8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.894 -6.401 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.875 -8.199 9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.219 -8.149 8.096 1.00 0.00 H new ATOM 1088 N GLN A 81 7.168 -4.176 8.529 1.00 0.00 N ATOM 1089 CA GLN A 81 7.898 -3.120 9.225 1.00 0.00 C ATOM 1090 C GLN A 81 8.900 -2.394 8.324 1.00 0.00 C ATOM 1091 O GLN A 81 9.102 -1.189 8.468 1.00 0.00 O ATOM 1092 CB GLN A 81 8.625 -3.698 10.440 1.00 0.00 C ATOM 1093 CG GLN A 81 9.433 -4.948 10.130 1.00 0.00 C ATOM 1094 CD GLN A 81 10.668 -5.076 11.000 1.00 0.00 C ATOM 1095 OE1 GLN A 81 10.607 -5.602 12.111 1.00 0.00 O ATOM 1096 NE2 GLN A 81 11.798 -4.592 10.498 1.00 0.00 N ATOM 0 H GLN A 81 7.420 -5.120 8.821 1.00 0.00 H new ATOM 0 HA GLN A 81 7.159 -2.385 9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.290 -2.938 10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.893 -3.931 11.213 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.803 -5.827 10.269 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.732 -4.932 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.803 -4.164 9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.661 -4.648 11.038 1.00 0.00 H new ATOM 1105 N GLU A 82 9.544 -3.118 7.408 1.00 0.00 N ATOM 1106 CA GLU A 82 10.530 -2.508 6.523 1.00 0.00 C ATOM 1107 C GLU A 82 9.861 -1.621 5.484 1.00 0.00 C ATOM 1108 O GLU A 82 10.329 -0.520 5.200 1.00 0.00 O ATOM 1109 CB GLU A 82 11.367 -3.588 5.835 1.00 0.00 C ATOM 1110 CG GLU A 82 12.038 -4.547 6.804 1.00 0.00 C ATOM 1111 CD GLU A 82 13.283 -5.189 6.221 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.180 -5.810 5.141 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.359 -5.071 6.843 1.00 0.00 O ATOM 0 H GLU A 82 9.401 -4.117 7.262 1.00 0.00 H new ATOM 0 HA GLU A 82 11.186 -1.884 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.728 -4.156 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.131 -3.109 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.303 -4.011 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.330 -5.326 7.087 1.00 0.00 H new ATOM 1120 N ALA A 83 8.761 -2.097 4.922 1.00 0.00 N ATOM 1121 CA ALA A 83 8.036 -1.329 3.928 1.00 0.00 C ATOM 1122 C ALA A 83 7.367 -0.135 4.583 1.00 0.00 C ATOM 1123 O ALA A 83 7.234 0.931 3.982 1.00 0.00 O ATOM 1124 CB ALA A 83 7.021 -2.204 3.216 1.00 0.00 C ATOM 0 H ALA A 83 8.354 -3.007 5.137 1.00 0.00 H new ATOM 0 HA ALA A 83 8.739 -0.961 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.486 -1.611 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.535 -3.028 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.312 -2.602 3.941 1.00 0.00 H new ATOM 1130 N MET A 84 6.956 -0.321 5.834 1.00 0.00 N ATOM 1131 CA MET A 84 6.309 0.743 6.585 1.00 0.00 C ATOM 1132 C MET A 84 7.327 1.792 7.006 1.00 0.00 C ATOM 1133 O MET A 84 7.019 2.982 7.074 1.00 0.00 O ATOM 1134 CB MET A 84 5.589 0.193 7.812 1.00 0.00 C ATOM 1135 CG MET A 84 4.085 0.166 7.638 1.00 0.00 C ATOM 1136 SD MET A 84 3.257 -0.851 8.868 1.00 0.00 S ATOM 1137 CE MET A 84 3.430 -2.455 8.100 1.00 0.00 C ATOM 0 H MET A 84 7.060 -1.197 6.346 1.00 0.00 H new ATOM 0 HA MET A 84 5.569 1.207 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 84 5.946 -0.816 8.017 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.840 0.802 8.680 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.699 1.184 7.696 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.846 -0.209 6.643 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.461 -2.954 8.077 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.800 -2.333 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.135 -3.058 8.672 1.00 0.00 H new ATOM 1147 N GLU A 85 8.550 1.343 7.271 1.00 0.00 N ATOM 1148 CA GLU A 85 9.616 2.247 7.664 1.00 0.00 C ATOM 1149 C GLU A 85 10.103 3.000 6.440 1.00 0.00 C ATOM 1150 O GLU A 85 10.377 4.193 6.498 1.00 0.00 O ATOM 1151 CB GLU A 85 10.761 1.474 8.346 1.00 0.00 C ATOM 1152 CG GLU A 85 11.825 0.936 7.399 1.00 0.00 C ATOM 1153 CD GLU A 85 13.097 0.533 8.122 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.028 0.279 9.344 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.158 0.473 7.468 1.00 0.00 O ATOM 0 H GLU A 85 8.823 0.362 7.220 1.00 0.00 H new ATOM 0 HA GLU A 85 9.238 2.966 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.240 2.130 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.335 0.639 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.427 0.074 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.060 1.695 6.653 1.00 0.00 H new ATOM 1162 N THR A 86 10.171 2.296 5.319 1.00 0.00 N ATOM 1163 CA THR A 86 10.582 2.908 4.071 1.00 0.00 C ATOM 1164 C THR A 86 9.615 4.036 3.735 1.00 0.00 C ATOM 1165 O THR A 86 10.018 5.101 3.268 1.00 0.00 O ATOM 1166 CB THR A 86 10.607 1.865 2.949 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.853 1.192 2.920 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.368 2.445 1.571 1.00 0.00 C ATOM 0 H THR A 86 9.947 1.303 5.252 1.00 0.00 H new ATOM 0 HA THR A 86 11.589 3.313 4.174 1.00 0.00 H new ATOM 0 HB THR A 86 9.789 1.182 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.515 1.750 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.400 1.647 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.390 2.926 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.141 3.180 1.347 1.00 0.00 H new ATOM 1176 N LEU A 87 8.336 3.795 4.012 1.00 0.00 N ATOM 1177 CA LEU A 87 7.307 4.794 3.777 1.00 0.00 C ATOM 1178 C LEU A 87 7.555 5.967 4.706 1.00 0.00 C ATOM 1179 O LEU A 87 7.728 7.099 4.263 1.00 0.00 O ATOM 1180 CB LEU A 87 5.918 4.204 4.020 1.00 0.00 C ATOM 1181 CG LEU A 87 5.430 3.230 2.947 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.200 2.475 3.428 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.131 3.973 1.653 1.00 0.00 C ATOM 0 H LEU A 87 7.992 2.916 4.399 1.00 0.00 H new ATOM 0 HA LEU A 87 7.348 5.127 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.922 3.690 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.202 5.022 4.099 1.00 0.00 H new ATOM 0 HG LEU A 87 6.221 2.505 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.868 1.787 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.447 1.913 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.402 3.183 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.785 3.266 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.358 4.720 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.036 4.466 1.299 1.00 0.00 H new ATOM 1195 N ARG A 88 7.615 5.673 6.002 1.00 0.00 N ATOM 1196 CA ARG A 88 7.894 6.689 7.003 1.00 0.00 C ATOM 1197 C ARG A 88 9.205 7.390 6.649 1.00 0.00 C ATOM 1198 O ARG A 88 9.402 8.567 6.953 1.00 0.00 O ATOM 1199 CB ARG A 88 7.955 6.063 8.407 1.00 0.00 C ATOM 1200 CG ARG A 88 9.360 5.901 8.972 1.00 0.00 C ATOM 1201 CD ARG A 88 9.338 5.206 10.325 1.00 0.00 C ATOM 1202 NE ARG A 88 10.667 5.135 10.927 1.00 0.00 N ATOM 1203 CZ ARG A 88 11.246 6.148 11.567 1.00 0.00 C ATOM 1204 NH1 ARG A 88 10.618 7.311 11.689 1.00 0.00 N ATOM 1205 NH2 ARG A 88 12.457 5.998 12.088 1.00 0.00 N ATOM 0 H ARG A 88 7.473 4.736 6.380 1.00 0.00 H new ATOM 0 HA ARG A 88 7.091 7.426 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.372 6.680 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.476 5.084 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.970 5.325 8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.829 6.880 9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.665 5.740 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.939 4.198 10.208 1.00 0.00 H new ATOM 0 HE ARG A 88 11.181 4.257 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.687 7.432 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.067 8.084 12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.944 5.106 11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.901 6.774 12.579 1.00 0.00 H new ATOM 1219 N ARG A 89 10.081 6.650 5.971 1.00 0.00 N ATOM 1220 CA ARG A 89 11.362 7.181 5.532 1.00 0.00 C ATOM 1221 C ARG A 89 11.125 8.221 4.449 1.00 0.00 C ATOM 1222 O ARG A 89 11.562 9.366 4.558 1.00 0.00 O ATOM 1223 CB ARG A 89 12.245 6.054 4.991 1.00 0.00 C ATOM 1224 CG ARG A 89 13.453 5.751 5.859 1.00 0.00 C ATOM 1225 CD ARG A 89 13.050 5.428 7.288 1.00 0.00 C ATOM 1226 NE ARG A 89 13.695 4.211 7.778 1.00 0.00 N ATOM 1227 CZ ARG A 89 14.957 4.159 8.198 1.00 0.00 C ATOM 1228 NH1 ARG A 89 15.712 5.250 8.190 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.464 3.011 8.628 1.00 0.00 N ATOM 0 H ARG A 89 9.922 5.676 5.715 1.00 0.00 H new ATOM 0 HA ARG A 89 11.871 7.643 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.644 5.150 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.586 6.321 3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.003 4.910 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.128 6.607 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.313 6.264 7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.968 5.311 7.342 1.00 0.00 H new ATOM 0 HE ARG A 89 13.146 3.352 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.326 6.135 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.678 5.204 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.887 2.170 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.431 2.969 8.950 1.00 0.00 H new ATOM 1243 N SER A 90 10.398 7.811 3.414 1.00 0.00 N ATOM 1244 CA SER A 90 10.061 8.701 2.315 1.00 0.00 C ATOM 1245 C SER A 90 9.212 9.858 2.830 1.00 0.00 C ATOM 1246 O SER A 90 9.259 10.969 2.304 1.00 0.00 O ATOM 1247 CB SER A 90 9.305 7.938 1.225 1.00 0.00 C ATOM 1248 OG SER A 90 10.126 6.947 0.632 1.00 0.00 O ATOM 0 H SER A 90 10.031 6.864 3.316 1.00 0.00 H new ATOM 0 HA SER A 90 10.982 9.097 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.418 7.471 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.962 8.635 0.461 1.00 0.00 H new ATOM 0 HG SER A 90 10.252 6.207 1.262 1.00 0.00 H new ATOM 1254 N MET A 91 8.440 9.575 3.874 1.00 0.00 N ATOM 1255 CA MET A 91 7.571 10.566 4.492 1.00 0.00 C ATOM 1256 C MET A 91 8.327 11.385 5.538 1.00 0.00 C ATOM 1257 O MET A 91 7.811 12.382 6.044 1.00 0.00 O ATOM 1258 CB MET A 91 6.381 9.869 5.159 1.00 0.00 C ATOM 1259 CG MET A 91 5.319 9.402 4.179 1.00 0.00 C ATOM 1260 SD MET A 91 4.908 7.659 4.359 1.00 0.00 S ATOM 1261 CE MET A 91 5.234 7.081 2.698 1.00 0.00 C ATOM 0 H MET A 91 8.400 8.655 4.313 1.00 0.00 H new ATOM 0 HA MET A 91 7.218 11.240 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.744 9.010 5.724 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.926 10.553 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.417 9.998 4.319 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.667 9.584 3.162 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.603 6.219 2.482 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.016 7.877 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.282 6.794 2.612 1.00 0.00 H new ATOM 1271 N SER A 92 9.537 10.947 5.880 1.00 0.00 N ATOM 1272 CA SER A 92 10.334 11.633 6.890 1.00 0.00 C ATOM 1273 C SER A 92 11.343 12.605 6.283 1.00 0.00 C ATOM 1274 O SER A 92 11.522 13.711 6.792 1.00 0.00 O ATOM 1275 CB SER A 92 11.064 10.613 7.764 1.00 0.00 C ATOM 1276 OG SER A 92 10.205 10.083 8.758 1.00 0.00 O ATOM 0 H SER A 92 9.984 10.125 5.474 1.00 0.00 H new ATOM 0 HA SER A 92 9.643 12.219 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.447 9.804 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.925 11.085 8.237 1.00 0.00 H new ATOM 0 HG SER A 92 9.562 9.472 8.342 1.00 0.00 H new ATOM 1282 N THR A 93 12.013 12.192 5.211 1.00 0.00 N ATOM 1283 CA THR A 93 13.016 13.046 4.572 1.00 0.00 C ATOM 1284 C THR A 93 13.655 12.368 3.361 1.00 0.00 C ATOM 1285 O THR A 93 14.767 11.845 3.441 1.00 0.00 O ATOM 1286 CB THR A 93 14.103 13.403 5.580 1.00 0.00 C ATOM 1287 OG1 THR A 93 15.043 14.299 5.014 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.860 12.195 6.085 1.00 0.00 C ATOM 0 H THR A 93 11.884 11.282 4.769 1.00 0.00 H new ATOM 0 HA THR A 93 12.509 13.947 4.226 1.00 0.00 H new ATOM 0 HB THR A 93 13.582 13.865 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.730 14.515 5.679 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.620 12.514 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.167 11.510 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.339 11.689 5.247 1.00 0.00 H new ATOM 1296 N GLU A 94 12.949 12.391 2.243 1.00 0.00 N ATOM 1297 CA GLU A 94 13.433 11.792 1.002 1.00 0.00 C ATOM 1298 C GLU A 94 12.289 11.713 0.015 1.00 0.00 C ATOM 1299 O GLU A 94 12.403 12.161 -1.126 1.00 0.00 O ATOM 1300 CB GLU A 94 14.034 10.400 1.241 1.00 0.00 C ATOM 1301 CG GLU A 94 13.351 9.610 2.346 1.00 0.00 C ATOM 1302 CD GLU A 94 14.316 9.154 3.424 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.259 8.402 3.097 1.00 0.00 O ATOM 1304 OE2 GLU A 94 14.130 9.547 4.594 1.00 0.00 O ATOM 0 H GLU A 94 12.028 12.822 2.166 1.00 0.00 H new ATOM 0 HA GLU A 94 14.228 12.419 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.980 9.829 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.090 10.509 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.572 10.224 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.859 8.739 1.913 1.00 0.00 H new ATOM 1311 N GLY A 95 11.165 11.189 0.480 1.00 0.00 N ATOM 1312 CA GLY A 95 9.994 11.126 -0.361 1.00 0.00 C ATOM 1313 C GLY A 95 9.507 12.526 -0.644 1.00 0.00 C ATOM 1314 O GLY A 95 9.001 12.818 -1.725 1.00 0.00 O ATOM 0 H GLY A 95 11.045 10.809 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.230 10.615 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.211 10.548 0.130 1.00 0.00 H new ATOM 1318 N ASN A 96 9.707 13.402 0.338 1.00 0.00 N ATOM 1319 CA ASN A 96 9.334 14.798 0.210 1.00 0.00 C ATOM 1320 C ASN A 96 10.474 15.570 -0.453 1.00 0.00 C ATOM 1321 O ASN A 96 10.605 15.556 -1.675 1.00 0.00 O ATOM 1322 CB ASN A 96 9.000 15.395 1.584 1.00 0.00 C ATOM 1323 CG ASN A 96 8.842 16.905 1.535 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.374 17.415 0.399 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.135 17.605 2.504 1.00 0.00 N flip ATOM 0 H ASN A 96 10.129 13.162 1.235 1.00 0.00 H new ATOM 0 HA ASN A 96 8.443 14.875 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.079 14.948 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.789 15.137 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.491 17.173 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.022 18.618 2.455 1.00 0.00 H new ATOM 1332 N LYS A 97 11.309 16.227 0.357 1.00 0.00 N ATOM 1333 CA LYS A 97 12.445 16.986 -0.155 1.00 0.00 C ATOM 1334 C LYS A 97 12.004 18.210 -0.969 1.00 0.00 C ATOM 1335 O LYS A 97 12.633 19.265 -0.898 1.00 0.00 O ATOM 1336 CB LYS A 97 13.345 16.078 -0.999 1.00 0.00 C ATOM 1337 CG LYS A 97 13.849 14.858 -0.244 1.00 0.00 C ATOM 1338 CD LYS A 97 15.338 14.954 0.041 1.00 0.00 C ATOM 1339 CE LYS A 97 16.162 14.669 -1.205 1.00 0.00 C ATOM 1340 NZ LYS A 97 17.333 13.799 -0.910 1.00 0.00 N ATOM 0 H LYS A 97 11.216 16.246 1.373 1.00 0.00 H new ATOM 0 HA LYS A 97 13.007 17.356 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.793 15.749 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.199 16.654 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.304 14.759 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.646 13.959 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.575 15.950 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.606 14.247 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.533 14.189 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.508 15.609 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.868 13.629 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.947 14.268 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.003 12.891 -0.524 1.00 0.00 H new ATOM 1354 N ARG A 98 10.933 18.066 -1.749 1.00 0.00 N ATOM 1355 CA ARG A 98 10.435 19.161 -2.577 1.00 0.00 C ATOM 1356 C ARG A 98 8.961 19.449 -2.299 1.00 0.00 C ATOM 1357 O ARG A 98 8.529 20.601 -2.324 1.00 0.00 O ATOM 1358 CB ARG A 98 10.630 18.841 -4.063 1.00 0.00 C ATOM 1359 CG ARG A 98 11.411 17.560 -4.318 1.00 0.00 C ATOM 1360 CD ARG A 98 10.506 16.338 -4.290 1.00 0.00 C ATOM 1361 NE ARG A 98 10.068 15.952 -5.631 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.722 15.091 -6.409 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.853 14.533 -5.996 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.244 14.792 -7.610 1.00 0.00 N ATOM 0 H ARG A 98 10.395 17.203 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 98 11.009 20.051 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.653 18.761 -4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.149 19.673 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.909 17.623 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.192 17.453 -3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.035 15.505 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.634 16.546 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 98 9.209 16.367 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.229 14.762 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.347 13.875 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.378 15.221 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.743 14.133 -8.208 1.00 0.00 H new ATOM 1378 N GLY A 99 8.197 18.399 -2.036 1.00 0.00 N ATOM 1379 CA GLY A 99 6.781 18.558 -1.760 1.00 0.00 C ATOM 1380 C GLY A 99 5.929 17.464 -2.382 1.00 0.00 C ATOM 1381 O GLY A 99 4.709 17.599 -2.469 1.00 0.00 O ATOM 0 H GLY A 99 8.532 17.436 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.625 18.563 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.450 19.526 -2.135 1.00 0.00 H new ATOM 1385 N MET A 100 6.569 16.379 -2.816 1.00 0.00 N ATOM 1386 CA MET A 100 5.856 15.266 -3.428 1.00 0.00 C ATOM 1387 C MET A 100 6.710 14.001 -3.441 1.00 0.00 C ATOM 1388 O MET A 100 7.938 14.070 -3.476 1.00 0.00 O ATOM 1389 CB MET A 100 5.422 15.634 -4.848 1.00 0.00 C ATOM 1390 CG MET A 100 6.519 15.495 -5.893 1.00 0.00 C ATOM 1391 SD MET A 100 5.944 15.873 -7.559 1.00 0.00 S ATOM 1392 CE MET A 100 4.358 15.041 -7.566 1.00 0.00 C ATOM 0 H MET A 100 7.579 16.250 -2.754 1.00 0.00 H new ATOM 0 HA MET A 100 4.969 15.062 -2.829 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.582 15.002 -5.134 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.062 16.663 -4.850 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.344 16.160 -5.638 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.910 14.478 -5.870 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.057 14.840 -8.594 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.438 14.100 -7.021 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.612 15.675 -7.087 1.00 0.00 H new ATOM 1402 N ILE A 101 6.047 12.847 -3.407 1.00 0.00 N ATOM 1403 CA ILE A 101 6.741 11.561 -3.405 1.00 0.00 C ATOM 1404 C ILE A 101 5.998 10.534 -4.257 1.00 0.00 C ATOM 1405 O ILE A 101 4.767 10.500 -4.278 1.00 0.00 O ATOM 1406 CB ILE A 101 6.932 11.029 -1.957 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.272 9.660 -1.751 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.382 12.026 -0.947 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.488 9.102 -0.360 1.00 0.00 C ATOM 0 H ILE A 101 5.030 12.776 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 101 7.727 11.719 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 101 8.004 10.906 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.202 9.747 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.669 8.958 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.524 11.638 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.909 12.975 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.319 12.180 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.997 8.132 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.556 8.985 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.066 9.786 0.376 1.00 0.00 H new ATOM 1421 N GLN A 102 6.757 9.696 -4.959 1.00 0.00 N ATOM 1422 CA GLN A 102 6.176 8.666 -5.810 1.00 0.00 C ATOM 1423 C GLN A 102 5.863 7.414 -4.997 1.00 0.00 C ATOM 1424 O GLN A 102 6.642 7.019 -4.128 1.00 0.00 O ATOM 1425 CB GLN A 102 7.129 8.321 -6.956 1.00 0.00 C ATOM 1426 CG GLN A 102 6.544 7.342 -7.960 1.00 0.00 C ATOM 1427 CD GLN A 102 6.854 7.725 -9.395 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.959 8.490 -10.009 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 7.884 7.337 -9.943 1.00 0.00 N flip ATOM 0 H GLN A 102 7.777 9.712 -4.954 1.00 0.00 H new ATOM 0 HA GLN A 102 5.247 9.052 -6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.407 9.238 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.045 7.900 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.936 6.345 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.463 7.292 -7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.544 6.750 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.079 7.602 -10.909 1.00 0.00 H new ATOM 1438 N LEU A 103 4.722 6.799 -5.280 1.00 0.00 N ATOM 1439 CA LEU A 103 4.311 5.597 -4.567 1.00 0.00 C ATOM 1440 C LEU A 103 3.741 4.553 -5.521 1.00 0.00 C ATOM 1441 O LEU A 103 2.667 4.740 -6.093 1.00 0.00 O ATOM 1442 CB LEU A 103 3.275 5.947 -3.495 1.00 0.00 C ATOM 1443 CG LEU A 103 3.757 5.791 -2.050 1.00 0.00 C ATOM 1444 CD1 LEU A 103 4.177 7.136 -1.478 1.00 0.00 C ATOM 1445 CD2 LEU A 103 2.670 5.161 -1.190 1.00 0.00 C ATOM 0 H LEU A 103 4.066 7.112 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 103 5.194 5.173 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.954 6.978 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.398 5.316 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 103 4.624 5.131 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.516 7.004 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.988 7.549 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.328 7.820 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.030 5.058 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.784 5.796 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.417 4.178 -1.586 1.00 0.00 H new ATOM 1457 N ILE A 104 4.464 3.449 -5.678 1.00 0.00 N ATOM 1458 CA ILE A 104 4.024 2.367 -6.548 1.00 0.00 C ATOM 1459 C ILE A 104 3.177 1.371 -5.771 1.00 0.00 C ATOM 1460 O ILE A 104 3.443 1.094 -4.601 1.00 0.00 O ATOM 1461 CB ILE A 104 5.213 1.627 -7.191 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.083 2.605 -7.974 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.721 0.510 -8.101 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.321 3.402 -9.011 1.00 0.00 C ATOM 0 H ILE A 104 5.357 3.281 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 104 3.430 2.818 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 104 5.813 1.183 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.558 3.294 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.881 2.052 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.576 -0.000 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.135 -0.202 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.099 0.931 -8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.005 4.076 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.868 2.722 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.540 3.984 -8.521 1.00 0.00 H new ATOM 1476 N VAL A 105 2.154 0.845 -6.425 1.00 0.00 N ATOM 1477 CA VAL A 105 1.260 -0.116 -5.791 1.00 0.00 C ATOM 1478 C VAL A 105 0.849 -1.223 -6.753 1.00 0.00 C ATOM 1479 O VAL A 105 1.072 -1.130 -7.961 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.010 0.573 -5.255 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.337 1.548 -4.141 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.750 1.280 -6.381 1.00 0.00 C ATOM 0 H VAL A 105 1.921 1.065 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 105 1.815 -0.554 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.667 -0.192 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.574 2.023 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.818 1.010 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.016 2.310 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.644 1.761 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.100 2.034 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.036 0.553 -7.141 1.00 0.00 H new ATOM 1492 N ALA A 106 0.239 -2.269 -6.205 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.217 -3.400 -7.003 1.00 0.00 C ATOM 1494 C ALA A 106 -1.677 -3.717 -6.697 1.00 0.00 C ATOM 1495 O ALA A 106 -2.055 -3.882 -5.538 1.00 0.00 O ATOM 1496 CB ALA A 106 0.657 -4.618 -6.743 1.00 0.00 C ATOM 0 H ALA A 106 0.049 -2.356 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.137 -3.134 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.304 -5.455 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.689 -4.389 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.605 -4.884 -5.687 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.494 -3.793 -7.742 1.00 0.00 N ATOM 1503 CA ARG A 107 -3.913 -4.082 -7.581 1.00 0.00 C ATOM 1504 C ARG A 107 -4.341 -5.251 -8.460 1.00 0.00 C ATOM 1505 O ARG A 107 -3.814 -5.442 -9.556 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.743 -2.842 -7.916 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.243 -3.055 -7.783 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.022 -1.979 -8.520 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.052 -0.721 -7.778 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.655 0.383 -8.214 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.277 0.389 -9.387 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.635 1.485 -7.477 1.00 0.00 N ATOM 0 H ARG A 107 -2.198 -3.658 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.085 -4.360 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.441 -2.026 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.518 -2.530 -8.936 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.510 -4.035 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.521 -3.050 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.573 -1.812 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.042 -2.323 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.583 -0.686 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.295 -0.455 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.737 1.238 -9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.158 1.487 -6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.097 2.331 -7.811 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.303 -6.027 -7.974 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.807 -7.178 -8.714 1.00 0.00 C ATOM 1528 C ARG A 108 -6.716 -6.735 -9.855 1.00 0.00 C ATOM 1529 O ARG A 108 -7.385 -5.706 -9.765 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.569 -8.119 -7.776 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.716 -9.531 -8.320 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.747 -10.491 -7.650 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.943 -10.547 -6.204 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.961 -11.173 -5.617 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -7.874 -11.800 -6.349 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -7.068 -11.172 -4.295 1.00 0.00 N ATOM 0 H ARG A 108 -5.750 -5.880 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.954 -7.709 -9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.052 -8.160 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.560 -7.706 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.738 -9.877 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.541 -9.527 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.875 -11.488 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.724 -10.182 -7.865 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.260 -10.079 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.798 -11.804 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.652 -12.278 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.370 -10.691 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.848 -11.652 -3.846 1.00 0.00 H new ATOM 1550 N ILE A 109 -6.735 -7.518 -10.928 1.00 0.00 N ATOM 1551 CA ILE A 109 -7.562 -7.208 -12.088 1.00 0.00 C ATOM 1552 C ILE A 109 -9.000 -7.663 -11.876 1.00 0.00 C ATOM 1553 O ILE A 109 -9.273 -8.525 -11.039 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.008 -7.872 -13.363 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -5.521 -7.546 -13.531 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -7.801 -7.423 -14.582 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -5.252 -6.098 -13.878 1.00 0.00 C ATOM 0 H ILE A 109 -6.186 -8.373 -11.018 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.542 -6.125 -12.211 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.112 -8.953 -13.267 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.997 -7.793 -12.607 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.105 -8.181 -14.313 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.397 -7.901 -15.475 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.847 -7.706 -14.460 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.728 -6.340 -14.685 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.178 -5.942 -13.981 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.746 -5.851 -14.817 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.637 -5.456 -13.086 1.00 0.00 H new ATOM 1569 N SER A 110 -9.919 -7.080 -12.639 1.00 0.00 N ATOM 1570 CA SER A 110 -11.330 -7.428 -12.534 1.00 0.00 C ATOM 1571 C SER A 110 -11.746 -8.359 -13.669 1.00 0.00 C ATOM 1572 O SER A 110 -10.954 -8.658 -14.563 1.00 0.00 O ATOM 1573 CB SER A 110 -12.192 -6.164 -12.553 1.00 0.00 C ATOM 1574 OG SER A 110 -13.282 -6.276 -11.655 1.00 0.00 O ATOM 0 H SER A 110 -9.711 -6.365 -13.336 1.00 0.00 H new ATOM 0 HA SER A 110 -11.481 -7.947 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.583 -5.301 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.565 -5.990 -13.562 1.00 0.00 H new ATOM 0 HG SER A 110 -13.816 -5.455 -11.685 1.00 0.00 H new TER 1580 SER A 110