USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 505 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 64 ASN :FLIP amide:sc= -3.45! C(o=-12!,f=-11!) USER MOD Set 1.2: A 70 GLN : amide:sc= -7.95! C(o=-11!,f=-26!) USER MOD Set 2.1: A 61 CYS SG : rot -92:sc= 0.575 USER MOD Set 2.2: A 62 ASN : amide:sc= 0 X(o=0.57,f=0.57) USER MOD Set 3.1: A 14 CYS SG : rot 60:sc= -0.42 USER MOD Set 3.2: A 17 CYS SG : rot -46:sc= -1.78 USER MOD Set 3.3: A 25 SER OG : rot 78:sc= -0.343 USER MOD Set 3.4: A 52 HIS : no HE2:sc= -5.56! C(o=-9.9!,f=-14!) USER MOD Set 3.5: A 55 CYS SG : rot 180:sc= -1.79 USER MOD Set 4.1: A 47 CYS SG : rot -50:sc= -3.4! USER MOD Set 4.2: A 49 HIS : no HD1:sc= -7.05! C(o=-11!,f=-13!) USER MOD Set 4.3: A 71 CYS SG : rot 73:sc= -0.093 USER MOD Set 4.4: A 73 SER OG : rot -144:sc= 0.114 USER MOD Set 4.5: A 74 CYS SG : rot 69:sc= -2 USER MOD Set 4.6: A 76 THR OG1 : rot 134:sc= 1.7 USER MOD Set 5.1: A 43 HIS :FLIP no HD1:sc= -2.29 F(o=-4.8!,f=-2) USER MOD Set 5.2: A 48 SER OG : rot 65:sc= 0.316 USER MOD Single : A 3 THR OG1 : rot -150:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -148:sc= -0.324 (180deg=-1.22!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0867 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0197 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -55:sc= -3.81! USER MOD Single : A 38 SER OG : rot -66:sc= 1.18 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -110:sc= -6.48! (180deg=-11.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.272 (180deg=-0.0598) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.499 0.006 -4.654 1.00 0.00 N ATOM 37 CA THR A 3 2.543 -1.095 -4.685 1.00 0.00 C ATOM 38 C THR A 3 1.783 -1.127 -6.005 1.00 0.00 C ATOM 39 O THR A 3 1.659 -0.107 -6.684 1.00 0.00 O ATOM 40 CB THR A 3 1.533 -0.994 -3.526 1.00 0.00 C ATOM 41 OG1 THR A 3 0.460 -0.119 -3.888 1.00 0.00 O ATOM 42 CG2 THR A 3 2.209 -0.481 -2.263 1.00 0.00 C ATOM 0 HA THR A 3 3.117 -2.015 -4.578 1.00 0.00 H new ATOM 0 HB THR A 3 1.138 -1.990 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.108 0.317 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.477 -0.418 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.007 -1.165 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.628 0.508 -2.450 1.00 0.00 H new ATOM 50 N GLU A 4 1.277 -2.302 -6.363 1.00 0.00 N ATOM 51 CA GLU A 4 0.528 -2.465 -7.604 1.00 0.00 C ATOM 52 C GLU A 4 -0.810 -3.151 -7.346 1.00 0.00 C ATOM 53 O GLU A 4 -0.857 -4.274 -6.845 1.00 0.00 O ATOM 54 CB GLU A 4 1.343 -3.274 -8.615 1.00 0.00 C ATOM 55 CG GLU A 4 0.608 -3.535 -9.919 1.00 0.00 C ATOM 56 CD GLU A 4 0.953 -2.524 -10.995 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.324 -2.948 -12.110 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.851 -1.310 -10.723 1.00 0.00 O ATOM 0 H GLU A 4 1.372 -3.155 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 4 0.335 -1.474 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.270 -2.743 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.619 -4.228 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.851 -4.536 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.466 -3.514 -9.737 1.00 0.00 H new ATOM 65 N GLU A 5 -1.896 -2.467 -7.692 1.00 0.00 N ATOM 66 CA GLU A 5 -3.235 -3.010 -7.497 1.00 0.00 C ATOM 67 C GLU A 5 -3.314 -4.453 -7.988 1.00 0.00 C ATOM 68 O GLU A 5 -2.706 -4.810 -8.998 1.00 0.00 O ATOM 69 CB GLU A 5 -4.270 -2.153 -8.229 1.00 0.00 C ATOM 70 CG GLU A 5 -5.631 -2.136 -7.557 1.00 0.00 C ATOM 71 CD GLU A 5 -6.765 -1.917 -8.540 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.691 -2.754 -8.573 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.725 -0.911 -9.279 1.00 0.00 O ATOM 0 H GLU A 5 -1.875 -1.536 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.453 -2.995 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.897 -1.131 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.382 -2.525 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.786 -3.080 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.650 -1.348 -6.804 1.00 0.00 H new ATOM 80 N LEU A 6 -4.066 -5.277 -7.267 1.00 0.00 N ATOM 81 CA LEU A 6 -4.226 -6.681 -7.628 1.00 0.00 C ATOM 82 C LEU A 6 -5.657 -6.972 -8.066 1.00 0.00 C ATOM 83 O LEU A 6 -6.611 -6.661 -7.353 1.00 0.00 O ATOM 84 CB LEU A 6 -3.849 -7.577 -6.447 1.00 0.00 C ATOM 85 CG LEU A 6 -2.394 -7.501 -5.983 1.00 0.00 C ATOM 86 CD1 LEU A 6 -1.962 -8.821 -5.363 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.483 -7.132 -7.144 1.00 0.00 C ATOM 0 H LEU A 6 -4.575 -4.997 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.561 -6.894 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.492 -7.322 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.070 -8.610 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.315 -6.723 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.924 -8.748 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.596 -9.044 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.057 -9.618 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.451 -7.082 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.566 -7.887 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.778 -6.162 -7.544 1.00 0.00 H new ATOM 99 N LYS A 7 -5.799 -7.572 -9.243 1.00 0.00 N ATOM 100 CA LYS A 7 -7.114 -7.910 -9.777 1.00 0.00 C ATOM 101 C LYS A 7 -7.802 -8.957 -8.906 1.00 0.00 C ATOM 102 O LYS A 7 -9.016 -9.141 -8.982 1.00 0.00 O ATOM 103 CB LYS A 7 -6.988 -8.426 -11.211 1.00 0.00 C ATOM 104 CG LYS A 7 -7.146 -7.343 -12.264 1.00 0.00 C ATOM 105 CD LYS A 7 -7.838 -7.871 -13.509 1.00 0.00 C ATOM 106 CE LYS A 7 -6.864 -8.023 -14.667 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.189 -9.351 -14.652 1.00 0.00 N ATOM 0 H LYS A 7 -5.019 -7.835 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.722 -7.006 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.014 -8.900 -11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.741 -9.196 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.721 -6.514 -11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.166 -6.949 -12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.297 -8.835 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.642 -7.193 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.397 -7.897 -15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.114 -7.234 -14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.533 -9.416 -15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.659 -9.461 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.903 -10.104 -14.725 1.00 0.00 H new ATOM 121 N VAL A 8 -7.017 -9.641 -8.079 1.00 0.00 N ATOM 122 CA VAL A 8 -7.551 -10.667 -7.192 1.00 0.00 C ATOM 123 C VAL A 8 -6.803 -10.691 -5.865 1.00 0.00 C ATOM 124 O VAL A 8 -5.605 -10.411 -5.794 1.00 0.00 O ATOM 125 CB VAL A 8 -7.472 -12.063 -7.839 1.00 0.00 C ATOM 126 CG1 VAL A 8 -8.725 -12.347 -8.654 1.00 0.00 C ATOM 127 CG2 VAL A 8 -6.227 -12.179 -8.704 1.00 0.00 C ATOM 0 H VAL A 8 -6.009 -9.503 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.596 -10.416 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.407 -12.808 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.650 -13.337 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.599 -12.308 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.825 -11.599 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.187 -13.171 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.259 -11.425 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.341 -12.023 -8.089 1.00 0.00 H new ATOM 137 N PRO A 9 -7.522 -11.034 -4.786 1.00 0.00 N ATOM 138 CA PRO A 9 -6.946 -11.103 -3.440 1.00 0.00 C ATOM 139 C PRO A 9 -5.975 -12.269 -3.284 1.00 0.00 C ATOM 140 O PRO A 9 -6.309 -13.425 -3.544 1.00 0.00 O ATOM 141 CB PRO A 9 -8.168 -11.302 -2.541 1.00 0.00 C ATOM 142 CG PRO A 9 -9.187 -11.939 -3.422 1.00 0.00 C ATOM 143 CD PRO A 9 -8.953 -11.380 -4.797 1.00 0.00 C ATOM 0 HA PRO A 9 -6.363 -10.214 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.932 -11.936 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.526 -10.352 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.082 -13.024 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.196 -11.715 -3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.184 -12.111 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.576 -10.506 -4.987 1.00 0.00 H new ATOM 151 N PRO A 10 -4.744 -11.961 -2.851 1.00 0.00 N ATOM 152 CA PRO A 10 -3.700 -12.971 -2.650 1.00 0.00 C ATOM 153 C PRO A 10 -3.996 -13.883 -1.465 1.00 0.00 C ATOM 154 O PRO A 10 -5.125 -13.938 -0.978 1.00 0.00 O ATOM 155 CB PRO A 10 -2.445 -12.135 -2.383 1.00 0.00 C ATOM 156 CG PRO A 10 -2.958 -10.847 -1.841 1.00 0.00 C ATOM 157 CD PRO A 10 -4.276 -10.604 -2.524 1.00 0.00 C ATOM 0 HA PRO A 10 -3.609 -13.640 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.784 -12.629 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.871 -11.980 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.083 -10.901 -0.760 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.260 -10.034 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.977 -10.083 -1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.159 -9.993 -3.419 1.00 0.00 H new ATOM 165 N ASP A 11 -2.975 -14.596 -1.004 1.00 0.00 N ATOM 166 CA ASP A 11 -3.124 -15.505 0.126 1.00 0.00 C ATOM 167 C ASP A 11 -2.206 -15.100 1.275 1.00 0.00 C ATOM 168 O ASP A 11 -1.057 -15.535 1.347 1.00 0.00 O ATOM 169 CB ASP A 11 -2.821 -16.941 -0.303 1.00 0.00 C ATOM 170 CG ASP A 11 -1.547 -17.046 -1.116 1.00 0.00 C ATOM 171 OD1 ASP A 11 -1.043 -15.996 -1.569 1.00 0.00 O ATOM 172 OD2 ASP A 11 -1.051 -18.177 -1.300 1.00 0.00 O ATOM 0 H ASP A 11 -2.034 -14.562 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.156 -15.448 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.736 -17.571 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.655 -17.326 -0.890 1.00 0.00 H new ATOM 177 N GLU A 12 -2.722 -14.264 2.172 1.00 0.00 N ATOM 178 CA GLU A 12 -1.947 -13.799 3.315 1.00 0.00 C ATOM 179 C GLU A 12 -2.832 -13.040 4.300 1.00 0.00 C ATOM 180 O GLU A 12 -2.613 -13.087 5.511 1.00 0.00 O ATOM 181 CB GLU A 12 -0.797 -12.901 2.850 1.00 0.00 C ATOM 182 CG GLU A 12 0.103 -12.432 3.980 1.00 0.00 C ATOM 183 CD GLU A 12 1.300 -13.339 4.187 1.00 0.00 C ATOM 184 OE1 GLU A 12 2.144 -13.425 3.271 1.00 0.00 O ATOM 185 OE2 GLU A 12 1.394 -13.963 5.266 1.00 0.00 O ATOM 0 H GLU A 12 -3.672 -13.896 2.128 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.535 -14.672 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.196 -13.443 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.210 -12.030 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.450 -11.421 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.475 -12.383 4.903 1.00 0.00 H new ATOM 192 N ASP A 13 -3.831 -12.343 3.772 1.00 0.00 N ATOM 193 CA ASP A 13 -4.750 -11.574 4.604 1.00 0.00 C ATOM 194 C ASP A 13 -4.027 -10.418 5.288 1.00 0.00 C ATOM 195 O ASP A 13 -2.875 -10.550 5.701 1.00 0.00 O ATOM 196 CB ASP A 13 -5.400 -12.478 5.652 1.00 0.00 C ATOM 197 CG ASP A 13 -6.099 -13.672 5.034 1.00 0.00 C ATOM 198 OD1 ASP A 13 -6.995 -14.243 5.692 1.00 0.00 O ATOM 199 OD2 ASP A 13 -5.750 -14.037 3.892 1.00 0.00 O ATOM 0 H ASP A 13 -4.026 -12.294 2.772 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.526 -11.162 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.638 -12.827 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.120 -11.899 6.231 1.00 0.00 H new ATOM 204 N CYS A 14 -4.711 -9.285 5.403 1.00 0.00 N ATOM 205 CA CYS A 14 -4.134 -8.104 6.036 1.00 0.00 C ATOM 206 C CYS A 14 -3.324 -8.489 7.269 1.00 0.00 C ATOM 207 O CYS A 14 -3.481 -9.585 7.811 1.00 0.00 O ATOM 208 CB CYS A 14 -5.238 -7.118 6.424 1.00 0.00 C ATOM 209 SG CYS A 14 -4.622 -5.526 7.062 1.00 0.00 S ATOM 0 H CYS A 14 -5.666 -9.159 5.066 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.466 -7.627 5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.865 -6.930 5.553 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.873 -7.579 7.180 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.892 -4.948 6.155 1.00 0.00 H new ATOM 214 N ILE A 15 -2.458 -7.582 7.708 1.00 0.00 N ATOM 215 CA ILE A 15 -1.624 -7.826 8.878 1.00 0.00 C ATOM 216 C ILE A 15 -1.902 -6.804 9.975 1.00 0.00 C ATOM 217 O ILE A 15 -1.619 -7.045 11.149 1.00 0.00 O ATOM 218 CB ILE A 15 -0.127 -7.784 8.521 1.00 0.00 C ATOM 219 CG1 ILE A 15 0.057 -7.716 7.004 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.590 -8.999 9.092 1.00 0.00 C ATOM 221 CD1 ILE A 15 -0.241 -9.021 6.299 1.00 0.00 C ATOM 0 H ILE A 15 -2.316 -6.671 7.271 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.875 -8.823 9.241 1.00 0.00 H new ATOM 0 HB ILE A 15 0.310 -6.888 8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.593 -6.939 6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.082 -7.419 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.647 -8.954 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.485 -9.007 10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.152 -9.907 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.089 -8.898 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.426 -9.797 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.275 -9.309 6.489 1.00 0.00 H new ATOM 233 N ILE A 16 -2.460 -5.663 9.584 1.00 0.00 N ATOM 234 CA ILE A 16 -2.780 -4.605 10.535 1.00 0.00 C ATOM 235 C ILE A 16 -4.040 -4.939 11.326 1.00 0.00 C ATOM 236 O ILE A 16 -3.985 -5.160 12.537 1.00 0.00 O ATOM 237 CB ILE A 16 -2.977 -3.252 9.826 1.00 0.00 C ATOM 238 CG1 ILE A 16 -1.667 -2.792 9.185 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.488 -2.209 10.808 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.863 -1.835 8.029 1.00 0.00 C ATOM 0 H ILE A 16 -2.700 -5.448 8.616 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.934 -4.529 11.218 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.721 -3.376 9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.050 -2.311 9.944 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.117 -3.665 8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.622 -1.258 10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.442 -2.535 11.222 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.766 -2.085 11.615 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.892 -1.551 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.453 -2.320 7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.385 -0.944 8.379 1.00 0.00 H new ATOM 252 N CYS A 17 -5.174 -4.978 10.635 1.00 0.00 N ATOM 253 CA CYS A 17 -6.448 -5.288 11.272 1.00 0.00 C ATOM 254 C CYS A 17 -6.732 -6.786 11.221 1.00 0.00 C ATOM 255 O CYS A 17 -7.847 -7.226 11.498 1.00 0.00 O ATOM 256 CB CYS A 17 -7.583 -4.519 10.592 1.00 0.00 C ATOM 257 SG CYS A 17 -8.067 -5.191 8.969 1.00 0.00 S ATOM 0 H CYS A 17 -5.237 -4.799 9.633 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.386 -4.983 12.317 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.453 -4.521 11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.280 -3.479 10.467 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.002 -5.429 8.263 1.00 0.00 H new ATOM 262 N MET A 18 -5.714 -7.564 10.866 1.00 0.00 N ATOM 263 CA MET A 18 -5.854 -9.012 10.780 1.00 0.00 C ATOM 264 C MET A 18 -7.214 -9.394 10.202 1.00 0.00 C ATOM 265 O MET A 18 -8.097 -9.854 10.925 1.00 0.00 O ATOM 266 CB MET A 18 -5.678 -9.646 12.161 1.00 0.00 C ATOM 267 CG MET A 18 -4.330 -9.349 12.798 1.00 0.00 C ATOM 268 SD MET A 18 -3.127 -10.664 12.526 1.00 0.00 S ATOM 269 CE MET A 18 -3.933 -12.035 13.351 1.00 0.00 C ATOM 0 H MET A 18 -4.784 -7.215 10.634 1.00 0.00 H new ATOM 0 HA MET A 18 -5.077 -9.388 10.114 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.469 -9.288 12.820 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.800 -10.726 12.074 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.939 -8.415 12.393 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.464 -9.201 13.870 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.179 -12.700 13.773 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.570 -11.655 14.150 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.541 -12.585 12.633 1.00 0.00 H new ATOM 279 N GLU A 19 -7.373 -9.200 8.896 1.00 0.00 N ATOM 280 CA GLU A 19 -8.627 -9.523 8.225 1.00 0.00 C ATOM 281 C GLU A 19 -8.367 -10.071 6.824 1.00 0.00 C ATOM 282 O GLU A 19 -7.245 -10.015 6.321 1.00 0.00 O ATOM 283 CB GLU A 19 -9.520 -8.284 8.142 1.00 0.00 C ATOM 284 CG GLU A 19 -10.207 -7.940 9.453 1.00 0.00 C ATOM 285 CD GLU A 19 -11.425 -8.803 9.718 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.520 -8.236 9.918 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.285 -10.043 9.725 1.00 0.00 O ATOM 0 H GLU A 19 -6.651 -8.822 8.283 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.136 -10.290 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.918 -7.433 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.278 -8.444 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.498 -8.058 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.505 -6.892 9.438 1.00 0.00 H new ATOM 294 N LYS A 20 -9.413 -10.602 6.200 1.00 0.00 N ATOM 295 CA LYS A 20 -9.300 -11.160 4.857 1.00 0.00 C ATOM 296 C LYS A 20 -8.880 -10.089 3.856 1.00 0.00 C ATOM 297 O LYS A 20 -9.539 -9.056 3.722 1.00 0.00 O ATOM 298 CB LYS A 20 -10.632 -11.781 4.428 1.00 0.00 C ATOM 299 CG LYS A 20 -10.718 -13.275 4.688 1.00 0.00 C ATOM 300 CD LYS A 20 -10.321 -14.078 3.461 1.00 0.00 C ATOM 301 CE LYS A 20 -11.539 -14.504 2.656 1.00 0.00 C ATOM 302 NZ LYS A 20 -11.997 -15.872 3.023 1.00 0.00 N ATOM 0 H LYS A 20 -10.349 -10.658 6.603 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.533 -11.935 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.443 -11.281 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.784 -11.596 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.068 -13.538 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.735 -13.536 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.659 -13.482 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.760 -14.960 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.349 -13.794 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.300 -14.474 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.829 -16.124 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.233 -16.554 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.250 -15.895 4.032 1.00 0.00 H new ATOM 316 N LEU A 21 -7.782 -10.341 3.152 1.00 0.00 N ATOM 317 CA LEU A 21 -7.275 -9.398 2.162 1.00 0.00 C ATOM 318 C LEU A 21 -8.297 -9.171 1.053 1.00 0.00 C ATOM 319 O LEU A 21 -8.140 -8.276 0.223 1.00 0.00 O ATOM 320 CB LEU A 21 -5.963 -9.912 1.564 1.00 0.00 C ATOM 321 CG LEU A 21 -4.684 -9.287 2.119 1.00 0.00 C ATOM 322 CD1 LEU A 21 -3.492 -9.644 1.243 1.00 0.00 C ATOM 323 CD2 LEU A 21 -4.831 -7.776 2.231 1.00 0.00 C ATOM 0 H LEU A 21 -7.226 -11.191 3.249 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.092 -8.447 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.914 -10.990 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.988 -9.745 0.487 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.511 -9.689 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.590 -9.190 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.373 -10.727 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.658 -9.271 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.910 -7.349 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.030 -7.356 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.658 -7.540 2.900 1.00 0.00 H new ATOM 335 N SER A 22 -9.347 -9.987 1.047 1.00 0.00 N ATOM 336 CA SER A 22 -10.395 -9.876 0.039 1.00 0.00 C ATOM 337 C SER A 22 -11.524 -8.974 0.527 1.00 0.00 C ATOM 338 O SER A 22 -12.055 -8.159 -0.230 1.00 0.00 O ATOM 339 CB SER A 22 -10.948 -11.260 -0.307 1.00 0.00 C ATOM 340 OG SER A 22 -12.151 -11.520 0.394 1.00 0.00 O ATOM 0 H SER A 22 -9.494 -10.732 1.728 1.00 0.00 H new ATOM 0 HA SER A 22 -9.958 -9.432 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.128 -11.325 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.209 -12.022 -0.061 1.00 0.00 H new ATOM 0 HG SER A 22 -12.484 -12.410 0.154 1.00 0.00 H new ATOM 346 N THR A 23 -11.888 -9.124 1.797 1.00 0.00 N ATOM 347 CA THR A 23 -12.954 -8.325 2.385 1.00 0.00 C ATOM 348 C THR A 23 -12.685 -6.834 2.211 1.00 0.00 C ATOM 349 O THR A 23 -13.094 -6.233 1.218 1.00 0.00 O ATOM 350 CB THR A 23 -13.123 -8.631 3.886 1.00 0.00 C ATOM 351 OG1 THR A 23 -13.657 -9.948 4.060 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.042 -7.615 4.546 1.00 0.00 C ATOM 0 H THR A 23 -11.459 -9.792 2.438 1.00 0.00 H new ATOM 0 HA THR A 23 -13.872 -8.590 1.861 1.00 0.00 H new ATOM 0 HB THR A 23 -12.143 -8.571 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.760 -10.136 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.146 -7.852 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.618 -6.617 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.022 -7.647 4.069 1.00 0.00 H new ATOM 360 N ALA A 24 -11.995 -6.245 3.180 1.00 0.00 N ATOM 361 CA ALA A 24 -11.669 -4.825 3.132 1.00 0.00 C ATOM 362 C ALA A 24 -11.033 -4.363 4.439 1.00 0.00 C ATOM 363 O ALA A 24 -11.201 -4.997 5.481 1.00 0.00 O ATOM 364 CB ALA A 24 -12.916 -4.007 2.831 1.00 0.00 C ATOM 0 H ALA A 24 -11.650 -6.729 4.009 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.945 -4.671 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.658 -2.949 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.326 -4.310 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.659 -4.175 3.611 1.00 0.00 H new ATOM 370 N SER A 25 -10.304 -3.253 4.376 1.00 0.00 N ATOM 371 CA SER A 25 -9.640 -2.708 5.555 1.00 0.00 C ATOM 372 C SER A 25 -10.554 -2.776 6.774 1.00 0.00 C ATOM 373 O SER A 25 -11.771 -2.642 6.660 1.00 0.00 O ATOM 374 CB SER A 25 -9.215 -1.260 5.302 1.00 0.00 C ATOM 375 OG SER A 25 -9.290 -0.491 6.491 1.00 0.00 O ATOM 0 H SER A 25 -10.158 -2.714 3.522 1.00 0.00 H new ATOM 0 HA SER A 25 -8.754 -3.311 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.196 -1.239 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.855 -0.818 4.538 1.00 0.00 H new ATOM 0 HG SER A 25 -8.511 -0.682 7.054 1.00 0.00 H new ATOM 381 N GLY A 26 -9.956 -2.987 7.943 1.00 0.00 N ATOM 382 CA GLY A 26 -10.731 -3.070 9.168 1.00 0.00 C ATOM 383 C GLY A 26 -10.959 -1.713 9.802 1.00 0.00 C ATOM 384 O GLY A 26 -12.006 -1.470 10.404 1.00 0.00 O ATOM 0 H GLY A 26 -8.950 -3.102 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.694 -3.534 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.215 -3.717 9.877 1.00 0.00 H new ATOM 388 N TYR A 27 -9.978 -0.827 9.671 1.00 0.00 N ATOM 389 CA TYR A 27 -10.075 0.512 10.239 1.00 0.00 C ATOM 390 C TYR A 27 -10.939 1.415 9.364 1.00 0.00 C ATOM 391 O TYR A 27 -11.118 2.596 9.658 1.00 0.00 O ATOM 392 CB TYR A 27 -8.683 1.122 10.402 1.00 0.00 C ATOM 393 CG TYR A 27 -7.747 0.280 11.239 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.241 -0.660 12.137 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.369 0.424 11.133 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.389 -1.431 12.903 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.510 -0.345 11.895 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.025 -1.270 12.779 1.00 0.00 C ATOM 399 OH TYR A 27 -5.172 -2.036 13.541 1.00 0.00 O ATOM 0 H TYR A 27 -9.106 -1.012 9.176 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.545 0.429 11.219 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.242 1.269 9.416 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.778 2.107 10.859 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.309 -0.789 12.237 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.962 1.149 10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.789 -2.157 13.596 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.441 -0.222 11.799 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.590 -2.902 13.729 1.00 0.00 H new ATOM 409 N SER A 28 -11.474 0.847 8.286 1.00 0.00 N ATOM 410 CA SER A 28 -12.317 1.600 7.365 1.00 0.00 C ATOM 411 C SER A 28 -13.239 2.548 8.125 1.00 0.00 C ATOM 412 O SER A 28 -13.619 3.603 7.616 1.00 0.00 O ATOM 413 CB SER A 28 -13.146 0.646 6.503 1.00 0.00 C ATOM 414 OG SER A 28 -14.160 1.343 5.802 1.00 0.00 O ATOM 0 H SER A 28 -11.338 -0.131 8.030 1.00 0.00 H new ATOM 0 HA SER A 28 -11.669 2.192 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.496 0.134 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.597 -0.120 7.134 1.00 0.00 H new ATOM 0 HG SER A 28 -14.675 0.711 5.257 1.00 0.00 H new ATOM 420 N ASP A 29 -13.596 2.165 9.346 1.00 0.00 N ATOM 421 CA ASP A 29 -14.474 2.980 10.177 1.00 0.00 C ATOM 422 C ASP A 29 -14.009 4.434 10.196 1.00 0.00 C ATOM 423 O ASP A 29 -14.786 5.349 9.927 1.00 0.00 O ATOM 424 CB ASP A 29 -14.520 2.428 11.602 1.00 0.00 C ATOM 425 CG ASP A 29 -13.163 1.953 12.083 1.00 0.00 C ATOM 426 OD1 ASP A 29 -12.928 0.726 12.079 1.00 0.00 O ATOM 427 OD2 ASP A 29 -12.337 2.808 12.463 1.00 0.00 O ATOM 0 H ASP A 29 -13.291 1.295 9.782 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.476 2.943 9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.891 3.200 12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.228 1.600 11.645 1.00 0.00 H new ATOM 432 N VAL A 30 -12.735 4.637 10.519 1.00 0.00 N ATOM 433 CA VAL A 30 -12.166 5.978 10.574 1.00 0.00 C ATOM 434 C VAL A 30 -10.675 5.930 10.890 1.00 0.00 C ATOM 435 O VAL A 30 -10.274 5.954 12.053 1.00 0.00 O ATOM 436 CB VAL A 30 -12.875 6.846 11.630 1.00 0.00 C ATOM 437 CG1 VAL A 30 -12.679 6.262 13.021 1.00 0.00 C ATOM 438 CG2 VAL A 30 -12.368 8.280 11.569 1.00 0.00 C ATOM 0 H VAL A 30 -12.078 3.890 10.746 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.312 6.424 9.590 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.943 6.852 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.187 6.889 13.754 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.095 5.255 13.055 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.615 6.223 13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.880 8.879 12.322 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.295 8.295 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.565 8.694 10.580 1.00 0.00 H new ATOM 448 N THR A 31 -9.856 5.861 9.845 1.00 0.00 N ATOM 449 CA THR A 31 -8.409 5.808 10.009 1.00 0.00 C ATOM 450 C THR A 31 -7.777 7.174 9.763 1.00 0.00 C ATOM 451 O THR A 31 -7.372 7.860 10.701 1.00 0.00 O ATOM 452 CB THR A 31 -7.771 4.780 9.055 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.789 3.965 8.463 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.777 3.899 9.796 1.00 0.00 C ATOM 0 H THR A 31 -10.171 5.841 8.875 1.00 0.00 H new ATOM 0 HA THR A 31 -8.219 5.503 11.038 1.00 0.00 H new ATOM 0 HB THR A 31 -7.239 5.323 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.329 3.552 9.169 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.339 3.181 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.988 4.519 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.290 3.365 10.596 1.00 0.00 H new ATOM 517 N LEU A 36 -7.499 6.190 -0.548 1.00 0.00 N ATOM 518 CA LEU A 36 -7.628 4.737 -0.527 1.00 0.00 C ATOM 519 C LEU A 36 -9.044 4.322 -0.138 1.00 0.00 C ATOM 520 O LEU A 36 -9.633 3.435 -0.754 1.00 0.00 O ATOM 521 CB LEU A 36 -6.620 4.130 0.450 1.00 0.00 C ATOM 522 CG LEU A 36 -5.292 4.876 0.593 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.369 4.142 1.554 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.627 5.046 -0.764 1.00 0.00 C ATOM 0 HA LEU A 36 -7.422 4.364 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.088 4.070 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.408 3.108 0.134 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.495 5.866 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.429 4.687 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.843 4.073 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.172 3.139 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.684 5.579 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.437 4.066 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.283 5.616 -1.422 1.00 0.00 H new ATOM 536 N GLY A 37 -9.585 4.972 0.888 1.00 0.00 N ATOM 537 CA GLY A 37 -10.927 4.658 1.340 1.00 0.00 C ATOM 538 C GLY A 37 -11.208 3.168 1.331 1.00 0.00 C ATOM 539 O GLY A 37 -12.356 2.747 1.184 1.00 0.00 O ATOM 0 H GLY A 37 -9.117 5.710 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.067 5.045 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.650 5.165 0.701 1.00 0.00 H new ATOM 543 N SER A 38 -10.158 2.368 1.487 1.00 0.00 N ATOM 544 CA SER A 38 -10.296 0.917 1.490 1.00 0.00 C ATOM 545 C SER A 38 -10.858 0.421 0.161 1.00 0.00 C ATOM 546 O SER A 38 -11.219 1.216 -0.709 1.00 0.00 O ATOM 547 CB SER A 38 -11.205 0.472 2.638 1.00 0.00 C ATOM 548 OG SER A 38 -12.571 0.545 2.265 1.00 0.00 O ATOM 0 H SER A 38 -9.202 2.701 1.613 1.00 0.00 H new ATOM 0 HA SER A 38 -9.306 0.484 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.958 -0.550 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.029 1.101 3.510 1.00 0.00 H new ATOM 0 HG SER A 38 -12.821 1.481 2.121 1.00 0.00 H new ATOM 554 N LEU A 39 -10.929 -0.896 0.010 1.00 0.00 N ATOM 555 CA LEU A 39 -11.447 -1.499 -1.213 1.00 0.00 C ATOM 556 C LEU A 39 -10.365 -1.570 -2.286 1.00 0.00 C ATOM 557 O LEU A 39 -10.657 -1.513 -3.480 1.00 0.00 O ATOM 558 CB LEU A 39 -12.645 -0.702 -1.731 1.00 0.00 C ATOM 559 CG LEU A 39 -13.767 -1.518 -2.373 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.936 -1.667 -1.411 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.224 -0.868 -3.672 1.00 0.00 C ATOM 0 H LEU A 39 -10.634 -1.567 0.719 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.768 -2.514 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.065 -0.135 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.285 0.022 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.382 -2.511 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.725 -2.251 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.601 -2.176 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.321 -0.681 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.023 -1.463 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.591 0.137 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.385 -0.813 -4.366 1.00 0.00 H new ATOM 573 N ALA A 40 -9.116 -1.697 -1.852 1.00 0.00 N ATOM 574 CA ALA A 40 -7.991 -1.780 -2.775 1.00 0.00 C ATOM 575 C ALA A 40 -6.818 -2.524 -2.145 1.00 0.00 C ATOM 576 O ALA A 40 -6.328 -2.146 -1.081 1.00 0.00 O ATOM 577 CB ALA A 40 -7.562 -0.387 -3.210 1.00 0.00 C ATOM 0 H ALA A 40 -8.857 -1.745 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.313 -2.340 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.721 -0.464 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.394 0.111 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.263 0.191 -2.336 1.00 0.00 H new ATOM 583 N VAL A 41 -6.371 -3.586 -2.810 1.00 0.00 N ATOM 584 CA VAL A 41 -5.255 -4.382 -2.315 1.00 0.00 C ATOM 585 C VAL A 41 -4.014 -4.186 -3.179 1.00 0.00 C ATOM 586 O VAL A 41 -4.038 -4.431 -4.385 1.00 0.00 O ATOM 587 CB VAL A 41 -5.608 -5.881 -2.279 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.509 -6.672 -1.587 1.00 0.00 C ATOM 589 CG2 VAL A 41 -6.947 -6.095 -1.588 1.00 0.00 C ATOM 0 H VAL A 41 -6.765 -3.914 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.047 -4.039 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.691 -6.242 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.776 -7.729 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.572 -6.543 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.390 -6.312 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.182 -7.159 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.893 -5.719 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.726 -5.560 -2.131 1.00 0.00 H new ATOM 599 N GLY A 42 -2.928 -3.741 -2.553 1.00 0.00 N ATOM 600 CA GLY A 42 -1.692 -3.519 -3.280 1.00 0.00 C ATOM 601 C GLY A 42 -0.476 -4.006 -2.517 1.00 0.00 C ATOM 602 O GLY A 42 -0.181 -3.516 -1.426 1.00 0.00 O ATOM 0 H GLY A 42 -2.883 -3.531 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.743 -4.030 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.583 -2.455 -3.490 1.00 0.00 H new ATOM 606 N HIS A 43 0.232 -4.974 -3.091 1.00 0.00 N ATOM 607 CA HIS A 43 1.422 -5.529 -2.457 1.00 0.00 C ATOM 608 C HIS A 43 2.620 -4.602 -2.646 1.00 0.00 C ATOM 609 O HIS A 43 2.807 -4.023 -3.716 1.00 0.00 O ATOM 610 CB HIS A 43 1.736 -6.910 -3.032 1.00 0.00 C ATOM 611 CG HIS A 43 2.351 -6.865 -4.397 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.477 -6.259 -4.841 1.00 0.00 N flip ATOM 613 CD2 HIS A 43 1.800 -7.495 -5.492 1.00 0.00 C flip ATOM 614 CE1 HIS A 43 3.585 -6.532 -6.182 1.00 0.00 C flip ATOM 615 NE2 HIS A 43 2.561 -7.280 -6.551 1.00 0.00 N flip ATOM 0 H HIS A 43 0.002 -5.390 -3.994 1.00 0.00 H new ATOM 0 HA HIS A 43 1.223 -5.625 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.413 -7.431 -2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.817 -7.494 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.888 -8.074 -5.486 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.379 -6.191 -6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.387 -7.632 -7.493 1.00 0.00 H new ATOM 623 N LEU A 44 3.428 -4.467 -1.600 1.00 0.00 N ATOM 624 CA LEU A 44 4.607 -3.611 -1.651 1.00 0.00 C ATOM 625 C LEU A 44 5.699 -4.237 -2.512 1.00 0.00 C ATOM 626 O LEU A 44 6.456 -5.092 -2.052 1.00 0.00 O ATOM 627 CB LEU A 44 5.139 -3.358 -0.239 1.00 0.00 C ATOM 628 CG LEU A 44 5.437 -1.900 0.116 1.00 0.00 C ATOM 629 CD1 LEU A 44 5.159 -1.641 1.589 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.877 -1.552 -0.226 1.00 0.00 C ATOM 0 H LEU A 44 3.288 -4.939 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 44 4.316 -2.661 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.412 -3.744 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.053 -3.937 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 44 4.780 -1.261 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.377 -0.599 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.111 -1.850 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.790 -2.289 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.071 -0.511 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.551 -2.198 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.043 -1.697 -1.294 1.00 0.00 H new ATOM 642 N THR A 45 5.776 -3.805 -3.767 1.00 0.00 N ATOM 643 CA THR A 45 6.775 -4.322 -4.694 1.00 0.00 C ATOM 644 C THR A 45 8.088 -4.621 -3.978 1.00 0.00 C ATOM 645 O THR A 45 8.823 -5.531 -4.361 1.00 0.00 O ATOM 646 CB THR A 45 7.045 -3.329 -5.841 1.00 0.00 C ATOM 647 OG1 THR A 45 7.558 -2.100 -5.315 1.00 0.00 O ATOM 648 CG2 THR A 45 5.773 -3.058 -6.631 1.00 0.00 C ATOM 0 H THR A 45 5.158 -3.098 -4.165 1.00 0.00 H new ATOM 0 HA THR A 45 6.372 -5.246 -5.109 1.00 0.00 H new ATOM 0 HB THR A 45 7.783 -3.772 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.728 -1.475 -6.051 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.987 -2.354 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.402 -3.991 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.017 -2.634 -5.970 1.00 0.00 H new ATOM 656 N LYS A 46 8.375 -3.851 -2.934 1.00 0.00 N ATOM 657 CA LYS A 46 9.597 -4.034 -2.161 1.00 0.00 C ATOM 658 C LYS A 46 9.778 -5.496 -1.767 1.00 0.00 C ATOM 659 O LYS A 46 10.778 -6.124 -2.116 1.00 0.00 O ATOM 660 CB LYS A 46 9.569 -3.156 -0.908 1.00 0.00 C ATOM 661 CG LYS A 46 10.948 -2.845 -0.352 1.00 0.00 C ATOM 662 CD LYS A 46 11.714 -1.896 -1.257 1.00 0.00 C ATOM 663 CE LYS A 46 12.735 -1.083 -0.478 1.00 0.00 C ATOM 664 NZ LYS A 46 13.151 0.142 -1.216 1.00 0.00 N ATOM 0 H LYS A 46 7.777 -3.094 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 46 10.440 -3.738 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.061 -2.220 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.980 -3.655 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.850 -2.404 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.511 -3.771 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.220 -2.465 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.015 -1.223 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.314 -0.800 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.611 -1.699 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.848 0.668 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.576 -0.128 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.320 0.743 -1.388 1.00 0.00 H new ATOM 678 N CYS A 47 8.805 -6.033 -1.040 1.00 0.00 N ATOM 679 CA CYS A 47 8.855 -7.421 -0.600 1.00 0.00 C ATOM 680 C CYS A 47 7.691 -8.219 -1.180 1.00 0.00 C ATOM 681 O CYS A 47 7.823 -9.408 -1.472 1.00 0.00 O ATOM 682 CB CYS A 47 8.827 -7.495 0.928 1.00 0.00 C ATOM 683 SG CYS A 47 7.323 -6.793 1.679 1.00 0.00 S ATOM 0 H CYS A 47 7.971 -5.527 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 47 9.786 -7.857 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.920 -8.538 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.697 -6.969 1.323 1.00 0.00 H new ATOM 0 HG CYS A 47 7.107 -5.607 1.191 1.00 0.00 H new ATOM 688 N SER A 48 6.550 -7.556 -1.342 1.00 0.00 N ATOM 689 CA SER A 48 5.360 -8.203 -1.884 1.00 0.00 C ATOM 690 C SER A 48 4.758 -9.170 -0.869 1.00 0.00 C ATOM 691 O SER A 48 4.954 -10.383 -0.957 1.00 0.00 O ATOM 692 CB SER A 48 5.704 -8.950 -3.175 1.00 0.00 C ATOM 693 OG SER A 48 4.638 -8.874 -4.106 1.00 0.00 O ATOM 0 H SER A 48 6.424 -6.572 -1.106 1.00 0.00 H new ATOM 0 HA SER A 48 4.624 -7.430 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.607 -8.526 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.920 -9.994 -2.949 1.00 0.00 H new ATOM 0 HG SER A 48 4.515 -7.943 -4.387 1.00 0.00 H new ATOM 699 N HIS A 49 4.024 -8.624 0.095 1.00 0.00 N ATOM 700 CA HIS A 49 3.392 -9.437 1.128 1.00 0.00 C ATOM 701 C HIS A 49 1.872 -9.336 1.044 1.00 0.00 C ATOM 702 O HIS A 49 1.158 -10.280 1.382 1.00 0.00 O ATOM 703 CB HIS A 49 3.867 -8.999 2.514 1.00 0.00 C ATOM 704 CG HIS A 49 5.310 -9.304 2.775 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.871 -9.270 4.035 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.309 -9.651 1.931 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.151 -9.582 3.953 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.443 -9.818 2.687 1.00 0.00 N ATOM 0 H HIS A 49 3.852 -7.622 0.183 1.00 0.00 H new ATOM 0 HA HIS A 49 3.680 -10.476 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.705 -7.927 2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.257 -9.492 3.271 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.229 -9.774 0.861 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.842 -9.635 4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.361 -10.081 2.329 1.00 0.00 H new ATOM 716 N ALA A 50 1.384 -8.186 0.591 1.00 0.00 N ATOM 717 CA ALA A 50 -0.051 -7.962 0.462 1.00 0.00 C ATOM 718 C ALA A 50 -0.657 -7.504 1.784 1.00 0.00 C ATOM 719 O ALA A 50 -0.311 -8.017 2.848 1.00 0.00 O ATOM 720 CB ALA A 50 -0.740 -9.228 -0.025 1.00 0.00 C ATOM 0 H ALA A 50 1.961 -7.395 0.307 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.206 -7.171 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.811 -9.047 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.335 -9.512 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.568 -10.033 0.689 1.00 0.00 H new ATOM 726 N PHE A 51 -1.561 -6.533 1.709 1.00 0.00 N ATOM 727 CA PHE A 51 -2.214 -6.003 2.901 1.00 0.00 C ATOM 728 C PHE A 51 -3.372 -5.084 2.523 1.00 0.00 C ATOM 729 O PHE A 51 -3.891 -5.147 1.408 1.00 0.00 O ATOM 730 CB PHE A 51 -1.206 -5.243 3.765 1.00 0.00 C ATOM 731 CG PHE A 51 0.219 -5.423 3.324 1.00 0.00 C ATOM 732 CD1 PHE A 51 1.097 -6.190 4.072 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.679 -4.826 2.162 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.408 -6.358 3.668 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.988 -4.991 1.753 1.00 0.00 C ATOM 736 CZ PHE A 51 2.855 -5.757 2.508 1.00 0.00 C ATOM 0 H PHE A 51 -1.858 -6.097 0.836 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.611 -6.843 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.452 -4.181 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.303 -5.575 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.753 -6.662 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.006 -4.224 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.083 -6.959 4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.333 -4.522 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.880 -5.885 2.192 1.00 0.00 H new ATOM 746 N HIS A 52 -3.773 -4.232 3.461 1.00 0.00 N ATOM 747 CA HIS A 52 -4.870 -3.299 3.227 1.00 0.00 C ATOM 748 C HIS A 52 -4.351 -1.870 3.099 1.00 0.00 C ATOM 749 O HIS A 52 -4.031 -1.223 4.096 1.00 0.00 O ATOM 750 CB HIS A 52 -5.889 -3.383 4.364 1.00 0.00 C ATOM 751 CG HIS A 52 -6.759 -4.601 4.300 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.341 -5.169 5.414 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.146 -5.358 3.247 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.047 -6.225 5.048 1.00 0.00 C ATOM 755 NE2 HIS A 52 -7.945 -6.360 3.738 1.00 0.00 N ATOM 0 H HIS A 52 -3.355 -4.168 4.389 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.356 -3.575 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.360 -3.374 5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.520 -2.494 4.342 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.242 -4.828 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.876 -5.203 2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.611 -6.868 5.708 1.00 0.00 H new ATOM 763 N LEU A 53 -4.269 -1.384 1.865 1.00 0.00 N ATOM 764 CA LEU A 53 -3.789 -0.032 1.605 1.00 0.00 C ATOM 765 C LEU A 53 -4.237 0.926 2.704 1.00 0.00 C ATOM 766 O LEU A 53 -3.415 1.459 3.451 1.00 0.00 O ATOM 767 CB LEU A 53 -4.293 0.459 0.248 1.00 0.00 C ATOM 768 CG LEU A 53 -3.628 -0.163 -0.981 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.521 -0.017 -2.204 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.269 0.475 -1.232 1.00 0.00 C ATOM 0 H LEU A 53 -4.529 -1.907 1.029 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.699 -0.057 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.365 0.270 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.157 1.540 0.202 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.479 -1.226 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.031 -0.465 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.471 -0.521 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.702 1.040 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.810 0.020 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.395 1.544 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.627 0.318 -0.365 1.00 0.00 H new ATOM 782 N LEU A 54 -5.545 1.139 2.798 1.00 0.00 N ATOM 783 CA LEU A 54 -6.104 2.031 3.808 1.00 0.00 C ATOM 784 C LEU A 54 -5.453 1.792 5.166 1.00 0.00 C ATOM 785 O LEU A 54 -5.093 2.737 5.869 1.00 0.00 O ATOM 786 CB LEU A 54 -7.617 1.830 3.912 1.00 0.00 C ATOM 787 CG LEU A 54 -8.244 2.150 5.270 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.609 3.393 5.873 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.749 2.330 5.132 1.00 0.00 C ATOM 0 H LEU A 54 -6.238 0.706 2.187 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.900 3.058 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.099 2.450 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.844 0.793 3.665 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.058 1.312 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.068 3.604 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.540 3.227 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.762 4.241 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.179 2.557 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.956 3.150 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.191 1.412 4.745 1.00 0.00 H new ATOM 801 N CYS A 55 -5.303 0.523 5.529 1.00 0.00 N ATOM 802 CA CYS A 55 -4.693 0.159 6.803 1.00 0.00 C ATOM 803 C CYS A 55 -3.235 0.608 6.856 1.00 0.00 C ATOM 804 O CYS A 55 -2.808 1.254 7.814 1.00 0.00 O ATOM 805 CB CYS A 55 -4.780 -1.353 7.020 1.00 0.00 C ATOM 806 SG CYS A 55 -6.482 -1.984 7.178 1.00 0.00 S ATOM 0 H CYS A 55 -5.595 -0.271 4.959 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.240 0.666 7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.293 -1.858 6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.222 -1.613 7.920 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.453 -3.271 7.356 1.00 0.00 H new ATOM 811 N LEU A 56 -2.477 0.263 5.821 1.00 0.00 N ATOM 812 CA LEU A 56 -1.067 0.630 5.750 1.00 0.00 C ATOM 813 C LEU A 56 -0.883 2.129 5.963 1.00 0.00 C ATOM 814 O LEU A 56 0.015 2.558 6.688 1.00 0.00 O ATOM 815 CB LEU A 56 -0.481 0.220 4.396 1.00 0.00 C ATOM 816 CG LEU A 56 -0.834 -1.186 3.910 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.031 -1.538 2.668 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.591 -2.208 5.012 1.00 0.00 C ATOM 0 H LEU A 56 -2.815 -0.270 5.020 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.539 0.101 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.815 0.937 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.604 0.301 4.453 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.893 -1.205 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.295 -2.542 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.254 -0.824 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.033 -1.501 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.848 -3.203 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.459 -2.187 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.211 -1.966 5.875 1.00 0.00 H new ATOM 830 N LEU A 57 -1.741 2.920 5.329 1.00 0.00 N ATOM 831 CA LEU A 57 -1.675 4.373 5.451 1.00 0.00 C ATOM 832 C LEU A 57 -1.814 4.804 6.908 1.00 0.00 C ATOM 833 O LEU A 57 -1.581 5.963 7.248 1.00 0.00 O ATOM 834 CB LEU A 57 -2.772 5.025 4.608 1.00 0.00 C ATOM 835 CG LEU A 57 -2.424 6.379 3.987 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.265 6.239 3.013 1.00 0.00 C ATOM 837 CD2 LEU A 57 -3.640 6.974 3.291 1.00 0.00 C ATOM 0 H LEU A 57 -2.490 2.581 4.726 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.701 4.700 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.043 4.338 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.657 5.150 5.232 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.119 7.056 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.032 7.213 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.391 5.857 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.540 5.546 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.375 7.937 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.975 6.299 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.442 7.113 4.016 1.00 0.00 H new ATOM 849 N ALA A 58 -2.192 3.860 7.765 1.00 0.00 N ATOM 850 CA ALA A 58 -2.358 4.141 9.185 1.00 0.00 C ATOM 851 C ALA A 58 -1.082 3.826 9.959 1.00 0.00 C ATOM 852 O ALA A 58 -0.744 4.514 10.924 1.00 0.00 O ATOM 853 CB ALA A 58 -3.527 3.348 9.747 1.00 0.00 C ATOM 0 H ALA A 58 -2.389 2.895 7.500 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.568 5.205 9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.639 3.568 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.441 3.624 9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.341 2.282 9.615 1.00 0.00 H new ATOM 859 N MET A 59 -0.378 2.784 9.532 1.00 0.00 N ATOM 860 CA MET A 59 0.862 2.379 10.186 1.00 0.00 C ATOM 861 C MET A 59 2.075 2.899 9.421 1.00 0.00 C ATOM 862 O MET A 59 3.208 2.797 9.892 1.00 0.00 O ATOM 863 CB MET A 59 0.929 0.855 10.297 1.00 0.00 C ATOM 864 CG MET A 59 0.604 0.135 8.999 1.00 0.00 C ATOM 865 SD MET A 59 1.748 0.550 7.669 1.00 0.00 S ATOM 866 CE MET A 59 3.083 -0.597 8.000 1.00 0.00 C ATOM 0 H MET A 59 -0.644 2.204 8.736 1.00 0.00 H new ATOM 0 HA MET A 59 0.874 2.810 11.187 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.929 0.566 10.622 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.235 0.525 11.070 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.627 -0.941 9.170 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.411 0.388 8.692 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.954 -0.048 8.359 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.767 -1.313 8.758 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.342 -1.128 7.084 1.00 0.00 H new ATOM 876 N TYR A 60 1.829 3.456 8.241 1.00 0.00 N ATOM 877 CA TYR A 60 2.902 3.990 7.411 1.00 0.00 C ATOM 878 C TYR A 60 3.409 5.319 7.962 1.00 0.00 C ATOM 879 O TYR A 60 4.483 5.792 7.586 1.00 0.00 O ATOM 880 CB TYR A 60 2.418 4.175 5.971 1.00 0.00 C ATOM 881 CG TYR A 60 2.865 5.476 5.343 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.871 5.498 4.386 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.281 6.682 5.709 1.00 0.00 C ATOM 884 CE1 TYR A 60 4.284 6.684 3.810 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.686 7.873 5.137 1.00 0.00 C ATOM 886 CZ TYR A 60 3.687 7.869 4.189 1.00 0.00 C ATOM 887 OH TYR A 60 4.094 9.053 3.619 1.00 0.00 O ATOM 0 H TYR A 60 0.897 3.550 7.838 1.00 0.00 H new ATOM 0 HA TYR A 60 3.725 3.275 7.423 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.782 3.345 5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.329 4.129 5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.339 4.572 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.498 6.689 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.069 6.684 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.221 8.802 5.431 1.00 0.00 H new ATOM 0 HH TYR A 60 3.573 9.793 3.995 1.00 0.00 H new ATOM 897 N CYS A 61 2.630 5.917 8.856 1.00 0.00 N ATOM 898 CA CYS A 61 2.997 7.192 9.461 1.00 0.00 C ATOM 899 C CYS A 61 4.269 7.053 10.291 1.00 0.00 C ATOM 900 O CYS A 61 4.857 8.046 10.715 1.00 0.00 O ATOM 901 CB CYS A 61 1.856 7.712 10.336 1.00 0.00 C ATOM 902 SG CYS A 61 1.533 6.707 11.804 1.00 0.00 S ATOM 0 H CYS A 61 1.739 5.539 9.178 1.00 0.00 H new ATOM 0 HA CYS A 61 3.184 7.907 8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.088 8.730 10.650 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.947 7.763 9.737 1.00 0.00 H new ATOM 0 HG CYS A 61 0.632 5.811 11.527 1.00 0.00 H new ATOM 908 N ASN A 62 4.686 5.812 10.521 1.00 0.00 N ATOM 909 CA ASN A 62 5.888 5.543 11.303 1.00 0.00 C ATOM 910 C ASN A 62 7.088 5.304 10.392 1.00 0.00 C ATOM 911 O ASN A 62 8.086 6.020 10.462 1.00 0.00 O ATOM 912 CB ASN A 62 5.670 4.328 12.208 1.00 0.00 C ATOM 913 CG ASN A 62 5.595 4.705 13.675 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.522 4.446 14.441 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.488 5.321 14.071 1.00 0.00 N ATOM 0 H ASN A 62 4.210 4.978 10.178 1.00 0.00 H new ATOM 0 HA ASN A 62 6.093 6.417 11.921 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.749 3.823 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.483 3.617 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.381 5.600 15.046 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.745 5.515 13.400 1.00 0.00 H new ATOM 922 N GLY A 63 6.982 4.292 9.536 1.00 0.00 N ATOM 923 CA GLY A 63 8.065 3.977 8.623 1.00 0.00 C ATOM 924 C GLY A 63 7.687 4.211 7.174 1.00 0.00 C ATOM 925 O GLY A 63 6.590 4.682 6.879 1.00 0.00 O ATOM 0 H GLY A 63 6.166 3.685 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.934 4.586 8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.357 2.935 8.756 1.00 0.00 H new ATOM 929 N ASN A 64 8.601 3.883 6.265 1.00 0.00 N ATOM 930 CA ASN A 64 8.359 4.061 4.839 1.00 0.00 C ATOM 931 C ASN A 64 7.506 5.300 4.582 1.00 0.00 C ATOM 932 O ASN A 64 6.442 5.219 3.967 1.00 0.00 O ATOM 933 CB ASN A 64 7.669 2.825 4.258 1.00 0.00 C ATOM 934 CG ASN A 64 8.651 1.862 3.619 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.130 0.895 2.872 1.00 0.00 O flip ATOM 936 ND2 ASN A 64 9.863 1.986 3.794 1.00 0.00 N flip ATOM 0 H ASN A 64 9.516 3.493 6.492 1.00 0.00 H new ATOM 0 HA ASN A 64 9.323 4.196 4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.123 2.311 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.935 3.137 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.219 2.744 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.511 1.331 3.357 1.00 0.00 H new ATOM 943 N LYS A 65 7.981 6.446 5.057 1.00 0.00 N ATOM 944 CA LYS A 65 7.265 7.703 4.880 1.00 0.00 C ATOM 945 C LYS A 65 7.617 8.346 3.542 1.00 0.00 C ATOM 946 O LYS A 65 7.626 9.571 3.415 1.00 0.00 O ATOM 947 CB LYS A 65 7.592 8.667 6.023 1.00 0.00 C ATOM 948 CG LYS A 65 6.655 8.542 7.212 1.00 0.00 C ATOM 949 CD LYS A 65 5.396 9.370 7.020 1.00 0.00 C ATOM 950 CE LYS A 65 5.527 10.741 7.667 1.00 0.00 C ATOM 951 NZ LYS A 65 5.431 10.665 9.151 1.00 0.00 N ATOM 0 H LYS A 65 8.860 6.530 5.568 1.00 0.00 H new ATOM 0 HA LYS A 65 6.197 7.487 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.614 8.488 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.554 9.689 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.385 7.496 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.169 8.865 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.195 9.487 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.544 8.844 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.482 11.185 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.746 11.399 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.657 11.277 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.242 9.683 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.327 10.982 9.574 1.00 0.00 H new ATOM 965 N ASP A 66 7.906 7.513 2.549 1.00 0.00 N ATOM 966 CA ASP A 66 8.257 8.001 1.220 1.00 0.00 C ATOM 967 C ASP A 66 7.090 8.756 0.592 1.00 0.00 C ATOM 968 O ASP A 66 7.232 9.908 0.181 1.00 0.00 O ATOM 969 CB ASP A 66 8.670 6.836 0.318 1.00 0.00 C ATOM 970 CG ASP A 66 10.116 6.931 -0.126 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.379 6.754 -1.333 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.985 7.184 0.735 1.00 0.00 O ATOM 0 H ASP A 66 7.904 6.497 2.639 1.00 0.00 H new ATOM 0 HA ASP A 66 9.097 8.687 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.517 5.897 0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.024 6.814 -0.560 1.00 0.00 H new ATOM 977 N GLY A 67 5.936 8.100 0.522 1.00 0.00 N ATOM 978 CA GLY A 67 4.761 8.726 -0.058 1.00 0.00 C ATOM 979 C GLY A 67 3.763 7.712 -0.580 1.00 0.00 C ATOM 980 O GLY A 67 3.082 7.958 -1.576 1.00 0.00 O ATOM 0 H GLY A 67 5.793 7.147 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.279 9.353 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.067 9.382 -0.872 1.00 0.00 H new ATOM 984 N SER A 68 3.677 6.569 0.091 1.00 0.00 N ATOM 985 CA SER A 68 2.758 5.511 -0.315 1.00 0.00 C ATOM 986 C SER A 68 2.213 4.769 0.902 1.00 0.00 C ATOM 987 O SER A 68 1.043 4.916 1.259 1.00 0.00 O ATOM 988 CB SER A 68 3.462 4.528 -1.253 1.00 0.00 C ATOM 989 OG SER A 68 4.206 5.213 -2.245 1.00 0.00 O ATOM 0 H SER A 68 4.232 6.351 0.918 1.00 0.00 H new ATOM 0 HA SER A 68 1.923 5.971 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.126 3.883 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.724 3.882 -1.729 1.00 0.00 H new ATOM 0 HG SER A 68 4.647 4.563 -2.830 1.00 0.00 H new ATOM 995 N LEU A 69 3.067 3.973 1.534 1.00 0.00 N ATOM 996 CA LEU A 69 2.672 3.207 2.711 1.00 0.00 C ATOM 997 C LEU A 69 3.828 2.350 3.215 1.00 0.00 C ATOM 998 O LEU A 69 4.954 2.461 2.729 1.00 0.00 O ATOM 999 CB LEU A 69 1.469 2.321 2.386 1.00 0.00 C ATOM 1000 CG LEU A 69 1.637 1.366 1.205 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.651 2.136 -0.106 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.911 0.547 1.359 1.00 0.00 C ATOM 0 H LEU A 69 4.038 3.841 1.251 1.00 0.00 H new ATOM 0 HA LEU A 69 2.396 3.910 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.227 1.733 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.612 2.965 2.187 1.00 0.00 H new ATOM 0 HG LEU A 69 0.788 0.682 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.771 1.440 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.712 2.677 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.480 2.844 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.015 -0.128 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.771 1.216 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.861 -0.034 2.280 1.00 0.00 H new ATOM 1014 N GLN A 70 3.542 1.493 4.191 1.00 0.00 N ATOM 1015 CA GLN A 70 4.558 0.616 4.759 1.00 0.00 C ATOM 1016 C GLN A 70 4.038 -0.813 4.880 1.00 0.00 C ATOM 1017 O GLN A 70 2.829 -1.043 4.921 1.00 0.00 O ATOM 1018 CB GLN A 70 4.995 1.129 6.133 1.00 0.00 C ATOM 1019 CG GLN A 70 6.032 0.249 6.809 1.00 0.00 C ATOM 1020 CD GLN A 70 7.304 0.113 5.995 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.269 -0.294 4.833 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.436 0.454 6.600 1.00 0.00 N ATOM 0 H GLN A 70 2.615 1.388 4.604 1.00 0.00 H new ATOM 0 HA GLN A 70 5.417 0.616 4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.400 2.135 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.120 1.206 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.274 0.665 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.607 -0.740 6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.419 0.786 7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.323 0.384 6.100 1.00 0.00 H new ATOM 1031 N CYS A 71 4.958 -1.770 4.933 1.00 0.00 N ATOM 1032 CA CYS A 71 4.594 -3.177 5.048 1.00 0.00 C ATOM 1033 C CYS A 71 4.383 -3.567 6.508 1.00 0.00 C ATOM 1034 O CYS A 71 5.321 -3.631 7.301 1.00 0.00 O ATOM 1035 CB CYS A 71 5.678 -4.058 4.424 1.00 0.00 C ATOM 1036 SG CYS A 71 5.387 -5.846 4.621 1.00 0.00 S ATOM 0 H CYS A 71 5.963 -1.596 4.898 1.00 0.00 H new ATOM 0 HA CYS A 71 3.658 -3.330 4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.751 -3.828 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.639 -3.805 4.872 1.00 0.00 H new ATOM 0 HG CYS A 71 4.422 -6.218 3.833 1.00 0.00 H new ATOM 1041 N PRO A 72 3.119 -3.835 6.871 1.00 0.00 N ATOM 1042 CA PRO A 72 2.755 -4.224 8.237 1.00 0.00 C ATOM 1043 C PRO A 72 3.257 -5.618 8.596 1.00 0.00 C ATOM 1044 O PRO A 72 3.180 -6.038 9.751 1.00 0.00 O ATOM 1045 CB PRO A 72 1.224 -4.196 8.218 1.00 0.00 C ATOM 1046 CG PRO A 72 0.860 -4.420 6.791 1.00 0.00 C ATOM 1047 CD PRO A 72 1.951 -3.777 5.979 1.00 0.00 C ATOM 0 HA PRO A 72 3.198 -3.562 8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.806 -4.971 8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.841 -3.242 8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.785 -5.485 6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.109 -3.978 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.129 -4.315 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.701 -2.751 5.711 1.00 0.00 H new ATOM 1055 N SER A 73 3.771 -6.332 7.600 1.00 0.00 N ATOM 1056 CA SER A 73 4.283 -7.681 7.810 1.00 0.00 C ATOM 1057 C SER A 73 5.711 -7.643 8.347 1.00 0.00 C ATOM 1058 O SER A 73 5.956 -7.945 9.514 1.00 0.00 O ATOM 1059 CB SER A 73 4.239 -8.476 6.502 1.00 0.00 C ATOM 1060 OG SER A 73 4.453 -9.857 6.738 1.00 0.00 O ATOM 0 H SER A 73 3.844 -5.998 6.639 1.00 0.00 H new ATOM 0 HA SER A 73 3.649 -8.173 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.273 -8.332 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.999 -8.099 5.817 1.00 0.00 H new ATOM 0 HG SER A 73 4.975 -10.238 6.001 1.00 0.00 H new ATOM 1066 N CYS A 74 6.650 -7.269 7.485 1.00 0.00 N ATOM 1067 CA CYS A 74 8.054 -7.190 7.869 1.00 0.00 C ATOM 1068 C CYS A 74 8.532 -5.740 7.895 1.00 0.00 C ATOM 1069 O CYS A 74 9.658 -5.439 7.501 1.00 0.00 O ATOM 1070 CB CYS A 74 8.915 -8.005 6.903 1.00 0.00 C ATOM 1071 SG CYS A 74 9.073 -7.268 5.245 1.00 0.00 S ATOM 0 H CYS A 74 6.464 -7.016 6.515 1.00 0.00 H new ATOM 0 HA CYS A 74 8.154 -7.604 8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.910 -8.124 7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.488 -9.003 6.806 1.00 0.00 H new ATOM 0 HG CYS A 74 9.776 -6.177 5.320 1.00 0.00 H new ATOM 1076 N LYS A 75 7.666 -4.847 8.361 1.00 0.00 N ATOM 1077 CA LYS A 75 7.997 -3.429 8.441 1.00 0.00 C ATOM 1078 C LYS A 75 8.893 -3.015 7.278 1.00 0.00 C ATOM 1079 O LYS A 75 9.743 -2.133 7.418 1.00 0.00 O ATOM 1080 CB LYS A 75 8.692 -3.120 9.768 1.00 0.00 C ATOM 1081 CG LYS A 75 7.861 -3.481 10.988 1.00 0.00 C ATOM 1082 CD LYS A 75 6.706 -2.513 11.184 1.00 0.00 C ATOM 1083 CE LYS A 75 5.736 -3.008 12.245 1.00 0.00 C ATOM 1084 NZ LYS A 75 4.424 -2.312 12.165 1.00 0.00 N ATOM 0 H LYS A 75 6.729 -5.080 8.689 1.00 0.00 H new ATOM 0 HA LYS A 75 7.069 -2.861 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.637 -3.662 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.933 -2.057 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.473 -4.494 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.495 -3.477 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.094 -1.536 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.177 -2.380 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.585 -4.081 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.169 -2.854 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.791 -2.678 12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.564 -1.291 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.998 -2.480 11.231 1.00 0.00 H new ATOM 1098 N THR A 76 8.698 -3.653 6.128 1.00 0.00 N ATOM 1099 CA THR A 76 9.487 -3.350 4.941 1.00 0.00 C ATOM 1100 C THR A 76 9.122 -1.983 4.373 1.00 0.00 C ATOM 1101 O THR A 76 9.967 -1.349 3.742 1.00 0.00 O ATOM 1102 CB THR A 76 9.291 -4.417 3.849 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.450 -5.255 3.769 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.036 -3.767 2.497 1.00 0.00 C ATOM 0 H THR A 76 7.999 -4.384 5.994 1.00 0.00 H new ATOM 0 HA THR A 76 10.533 -3.345 5.249 1.00 0.00 H new ATOM 0 HB THR A 76 8.423 -5.021 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.172 -6.194 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.901 -4.541 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.137 -3.153 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.887 -3.142 2.228 1.00 0.00 H new