USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -0.925 K(o=-0.92,f=-0.095) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.21! C(o=-4.2!,f=-8!) USER MOD Set 3.1: A 5 ASN : amide:sc= -4.19! C(o=-3.7!,f=-3.3!) USER MOD Set 3.2: A 13 THR OG1 : rot 143:sc= 0.503 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -6.83! C(o=-21!,f=-14!) USER MOD Set 4.2: A 6 GLN : amide:sc= -7.48! C(o=-21!,f=-12!) USER MOD Set 4.3: A 61 ASN : amide:sc= -6.87! C(o=-21!,f=-12!) USER MOD Single : A 1 LEU N :NH3+ 137:sc= 0.0229 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.65 K(o=-3.7,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00384 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0958 USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 0.307 (180deg=-0.125) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-0.26) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.6! USER MOD Single : A 60 ASN : amide:sc= -2.67! C(o=-2.7!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.220 -15.201 2.180 1.00 0.00 N ATOM 2 CA LEU A 1 -5.838 -14.220 1.178 1.00 0.00 C ATOM 3 C LEU A 1 -4.651 -13.406 1.696 1.00 0.00 C ATOM 4 O LEU A 1 -4.634 -12.993 2.854 1.00 0.00 O ATOM 5 CB LEU A 1 -7.042 -13.366 0.777 1.00 0.00 C ATOM 6 CG LEU A 1 -6.743 -12.165 -0.123 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.597 -12.598 -1.583 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.801 -11.074 0.049 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.256 -15.229 2.261 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.870 -16.139 1.899 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.808 -14.938 3.098 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.511 -14.716 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.763 -14.006 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.524 -13.003 1.685 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.788 -11.737 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.385 -11.726 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.779 -13.313 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.523 -13.064 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.565 -10.232 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.781 -11.472 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.813 -10.739 1.086 1.00 0.00 H new ATOM 22 N GLU A 2 -3.686 -13.198 0.812 1.00 0.00 N ATOM 23 CA GLU A 2 -2.497 -12.440 1.165 1.00 0.00 C ATOM 24 C GLU A 2 -2.507 -11.081 0.463 1.00 0.00 C ATOM 25 O GLU A 2 -2.970 -10.967 -0.671 1.00 0.00 O ATOM 26 CB GLU A 2 -1.227 -13.223 0.826 1.00 0.00 C ATOM 27 CG GLU A 2 -1.277 -14.632 1.419 1.00 0.00 C ATOM 28 CD GLU A 2 0.083 -15.325 1.303 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.331 -15.911 0.227 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.843 -15.252 2.292 1.00 0.00 O ATOM 0 H GLU A 2 -3.703 -13.541 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.503 -12.271 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.111 -13.284 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.355 -12.693 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.574 -14.579 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.035 -15.221 0.902 1.00 0.00 H new ATOM 37 N CYS A 3 -1.991 -10.084 1.167 1.00 0.00 N ATOM 38 CA CYS A 3 -1.935 -8.736 0.626 1.00 0.00 C ATOM 39 C CYS A 3 -0.570 -8.137 0.970 1.00 0.00 C ATOM 40 O CYS A 3 -0.083 -8.294 2.088 1.00 0.00 O ATOM 41 CB CYS A 3 -3.085 -7.870 1.143 1.00 0.00 C ATOM 42 SG CYS A 3 -4.726 -8.679 1.117 1.00 0.00 S ATOM 0 H CYS A 3 -1.608 -10.183 2.107 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.053 -8.771 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.861 -7.566 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.134 -6.961 0.544 1.00 0.00 H new ATOM 47 N HIS A 4 0.010 -7.464 -0.013 1.00 0.00 N ATOM 48 CA HIS A 4 1.309 -6.840 0.171 1.00 0.00 C ATOM 49 C HIS A 4 1.213 -5.763 1.253 1.00 0.00 C ATOM 50 O HIS A 4 0.231 -5.024 1.313 1.00 0.00 O ATOM 51 CB HIS A 4 1.847 -6.301 -1.156 1.00 0.00 C ATOM 52 CG HIS A 4 2.544 -7.339 -2.003 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.901 -7.595 -1.908 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.059 -8.181 -2.960 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.207 -8.550 -2.774 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.065 -8.911 -3.425 1.00 0.00 N ATOM 0 H HIS A 4 -0.396 -7.337 -0.940 1.00 0.00 H new ATOM 0 HA HIS A 4 2.028 -7.585 0.512 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.020 -5.877 -1.726 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.543 -5.488 -0.951 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.554 -7.128 -1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.031 -8.243 -3.284 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.189 -8.969 -2.936 1.00 0.00 H new ATOM 65 N ASN A 5 2.245 -5.708 2.082 1.00 0.00 N ATOM 66 CA ASN A 5 2.289 -4.733 3.159 1.00 0.00 C ATOM 67 C ASN A 5 3.531 -3.855 2.996 1.00 0.00 C ATOM 68 O ASN A 5 3.867 -3.077 3.888 1.00 0.00 O ATOM 69 CB ASN A 5 2.372 -5.422 4.522 1.00 0.00 C ATOM 70 CG ASN A 5 3.806 -5.858 4.830 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.723 -5.056 4.910 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.949 -7.170 4.997 1.00 0.00 N ATOM 0 H ASN A 5 3.057 -6.323 2.030 1.00 0.00 H new ATOM 0 HA ASN A 5 1.378 -4.136 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.020 -4.743 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.713 -6.290 4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.868 -7.560 5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.140 -7.786 4.916 1.00 0.00 H new ATOM 79 N GLN A 6 4.180 -4.010 1.851 1.00 0.00 N ATOM 80 CA GLN A 6 5.378 -3.241 1.560 1.00 0.00 C ATOM 81 C GLN A 6 5.034 -1.757 1.410 1.00 0.00 C ATOM 82 O GLN A 6 4.015 -1.410 0.815 1.00 0.00 O ATOM 83 CB GLN A 6 6.079 -3.770 0.307 1.00 0.00 C ATOM 84 CG GLN A 6 5.061 -4.150 -0.771 1.00 0.00 C ATOM 85 CD GLN A 6 5.641 -3.939 -2.171 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.094 -2.864 -2.528 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.602 -5.023 -2.941 1.00 0.00 N ATOM 0 H GLN A 6 3.899 -4.657 1.114 1.00 0.00 H new ATOM 0 HA GLN A 6 6.068 -3.351 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.759 -3.012 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.684 -4.640 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.768 -5.193 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.159 -3.549 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.209 -5.892 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.965 -4.985 -3.893 1.00 0.00 H new ATOM 96 N GLN A 7 5.903 -0.922 1.961 1.00 0.00 N ATOM 97 CA GLN A 7 5.703 0.515 1.896 1.00 0.00 C ATOM 98 C GLN A 7 6.678 1.142 0.897 1.00 0.00 C ATOM 99 O GLN A 7 7.685 0.532 0.540 1.00 0.00 O ATOM 100 CB GLN A 7 5.850 1.152 3.279 1.00 0.00 C ATOM 101 CG GLN A 7 6.921 0.434 4.102 1.00 0.00 C ATOM 102 CD GLN A 7 6.361 -0.843 4.734 1.00 0.00 C ATOM 103 OE1 GLN A 7 5.165 -1.084 4.754 1.00 0.00 O ATOM 104 NE2 GLN A 7 7.290 -1.644 5.248 1.00 0.00 N ATOM 0 H GLN A 7 6.747 -1.214 2.454 1.00 0.00 H new ATOM 0 HA GLN A 7 4.687 0.706 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.113 2.204 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.896 1.113 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.770 0.187 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.291 1.098 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.274 -1.382 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.018 -2.521 5.693 1.00 0.00 H new ATOM 113 N SER A 8 6.345 2.353 0.473 1.00 0.00 N ATOM 114 CA SER A 8 7.179 3.069 -0.477 1.00 0.00 C ATOM 115 C SER A 8 7.807 2.085 -1.467 1.00 0.00 C ATOM 116 O SER A 8 7.118 1.227 -2.017 1.00 0.00 O ATOM 117 CB SER A 8 8.268 3.869 0.239 1.00 0.00 C ATOM 118 OG SER A 8 7.749 4.612 1.339 1.00 0.00 O ATOM 0 H SER A 8 5.509 2.856 0.770 1.00 0.00 H new ATOM 0 HA SER A 8 6.550 3.772 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.043 3.189 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.741 4.551 -0.468 1.00 0.00 H new ATOM 0 HG SER A 8 8.476 5.108 1.771 1.00 0.00 H new ATOM 124 N SER A 9 9.108 2.242 -1.663 1.00 0.00 N ATOM 125 CA SER A 9 9.837 1.379 -2.577 1.00 0.00 C ATOM 126 C SER A 9 10.478 0.223 -1.806 1.00 0.00 C ATOM 127 O SER A 9 11.128 -0.637 -2.397 1.00 0.00 O ATOM 128 CB SER A 9 10.904 2.163 -3.342 1.00 0.00 C ATOM 129 OG SER A 9 10.337 2.988 -4.356 1.00 0.00 O ATOM 0 H SER A 9 9.676 2.954 -1.204 1.00 0.00 H new ATOM 0 HA SER A 9 9.131 0.976 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.468 2.782 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.611 1.467 -3.794 1.00 0.00 H new ATOM 0 HG SER A 9 11.051 3.473 -4.820 1.00 0.00 H new ATOM 135 N GLN A 10 10.272 0.241 -0.497 1.00 0.00 N ATOM 136 CA GLN A 10 10.822 -0.794 0.361 1.00 0.00 C ATOM 137 C GLN A 10 10.602 -2.174 -0.263 1.00 0.00 C ATOM 138 O GLN A 10 9.857 -2.308 -1.233 1.00 0.00 O ATOM 139 CB GLN A 10 10.214 -0.724 1.764 1.00 0.00 C ATOM 140 CG GLN A 10 10.129 0.723 2.252 1.00 0.00 C ATOM 141 CD GLN A 10 10.257 0.796 3.776 1.00 0.00 C ATOM 142 OE1 GLN A 10 9.432 1.371 4.467 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.334 0.183 4.258 1.00 0.00 N ATOM 0 H GLN A 10 9.732 0.956 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 10 11.895 -0.627 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.219 -1.168 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.819 -1.310 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.919 1.314 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.180 1.160 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.985 -0.279 3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.510 0.175 5.263 1.00 0.00 H new ATOM 152 N PRO A 11 11.263 -3.164 0.318 1.00 0.00 N ATOM 153 CA PRO A 11 11.202 -4.562 -0.112 1.00 0.00 C ATOM 154 C PRO A 11 9.758 -5.062 -0.050 1.00 0.00 C ATOM 155 O PRO A 11 9.080 -4.886 0.961 1.00 0.00 O ATOM 156 CB PRO A 11 12.053 -5.297 0.926 1.00 0.00 C ATOM 157 CG PRO A 11 12.986 -4.239 1.439 1.00 0.00 C ATOM 158 CD PRO A 11 12.148 -2.992 1.472 1.00 0.00 C ATOM 0 HA PRO A 11 11.552 -4.711 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.439 -5.711 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.598 -6.129 0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.366 -4.490 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.851 -4.120 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.587 -2.906 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.758 -2.093 1.384 1.00 0.00 H new ATOM 166 N PRO A 12 9.329 -5.676 -1.143 1.00 0.00 N ATOM 167 CA PRO A 12 7.985 -6.233 -1.304 1.00 0.00 C ATOM 168 C PRO A 12 7.724 -7.285 -0.224 1.00 0.00 C ATOM 169 O PRO A 12 8.511 -8.216 -0.059 1.00 0.00 O ATOM 170 CB PRO A 12 8.032 -6.901 -2.680 1.00 0.00 C ATOM 171 CG PRO A 12 9.117 -6.156 -3.403 1.00 0.00 C ATOM 172 CD PRO A 12 10.145 -5.880 -2.342 1.00 0.00 C ATOM 0 HA PRO A 12 7.199 -5.482 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.261 -7.964 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.076 -6.818 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.534 -6.750 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.741 -5.232 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.837 -6.714 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.744 -5.000 -2.578 1.00 0.00 H new ATOM 180 N THR A 13 6.619 -7.101 0.483 1.00 0.00 N ATOM 181 CA THR A 13 6.247 -8.023 1.543 1.00 0.00 C ATOM 182 C THR A 13 4.774 -8.414 1.417 1.00 0.00 C ATOM 183 O THR A 13 4.057 -7.883 0.569 1.00 0.00 O ATOM 184 CB THR A 13 6.590 -7.367 2.882 1.00 0.00 C ATOM 185 OG1 THR A 13 6.262 -5.994 2.690 1.00 0.00 O ATOM 186 CG2 THR A 13 8.094 -7.356 3.161 1.00 0.00 C ATOM 0 H THR A 13 5.969 -6.327 0.343 1.00 0.00 H new ATOM 0 HA THR A 13 6.805 -8.956 1.470 1.00 0.00 H new ATOM 0 HB THR A 13 6.076 -7.894 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.875 -5.632 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.282 -6.879 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.467 -8.380 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.606 -6.801 2.375 1.00 0.00 H new ATOM 194 N THR A 14 4.364 -9.338 2.273 1.00 0.00 N ATOM 195 CA THR A 14 2.989 -9.806 2.268 1.00 0.00 C ATOM 196 C THR A 14 2.530 -10.130 3.691 1.00 0.00 C ATOM 197 O THR A 14 3.352 -10.403 4.565 1.00 0.00 O ATOM 198 CB THR A 14 2.898 -10.999 1.314 1.00 0.00 C ATOM 199 OG1 THR A 14 4.114 -11.709 1.531 1.00 0.00 O ATOM 200 CG2 THR A 14 2.968 -10.580 -0.156 1.00 0.00 C ATOM 0 H THR A 14 4.961 -9.775 2.975 1.00 0.00 H new ATOM 0 HA THR A 14 2.310 -9.032 1.909 1.00 0.00 H new ATOM 0 HB THR A 14 1.968 -11.538 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.138 -12.500 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.899 -11.464 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.142 -9.906 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.913 -10.071 -0.345 1.00 0.00 H new ATOM 208 N LYS A 15 1.220 -10.090 3.881 1.00 0.00 N ATOM 209 CA LYS A 15 0.642 -10.376 5.183 1.00 0.00 C ATOM 210 C LYS A 15 -0.723 -11.041 4.996 1.00 0.00 C ATOM 211 O LYS A 15 -1.418 -10.774 4.017 1.00 0.00 O ATOM 212 CB LYS A 15 0.597 -9.109 6.039 1.00 0.00 C ATOM 213 CG LYS A 15 1.873 -8.962 6.869 1.00 0.00 C ATOM 214 CD LYS A 15 1.963 -7.569 7.496 1.00 0.00 C ATOM 215 CE LYS A 15 0.623 -7.156 8.109 1.00 0.00 C ATOM 216 NZ LYS A 15 0.696 -5.773 8.631 1.00 0.00 N ATOM 0 H LYS A 15 0.541 -9.864 3.154 1.00 0.00 H new ATOM 0 HA LYS A 15 1.267 -11.081 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.474 -8.237 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.269 -9.143 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.890 -9.719 7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.744 -9.137 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.736 -7.561 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.259 -6.844 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.164 -7.227 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.358 -7.841 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.221 -5.509 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.433 -5.716 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.927 -5.121 7.855 1.00 0.00 H new ATOM 230 N THR A 16 -1.066 -11.894 5.950 1.00 0.00 N ATOM 231 CA THR A 16 -2.335 -12.599 5.903 1.00 0.00 C ATOM 232 C THR A 16 -3.476 -11.673 6.329 1.00 0.00 C ATOM 233 O THR A 16 -3.388 -11.007 7.359 1.00 0.00 O ATOM 234 CB THR A 16 -2.213 -13.852 6.772 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.912 -14.354 6.476 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.155 -14.971 6.323 1.00 0.00 C ATOM 0 H THR A 16 -0.487 -12.113 6.760 1.00 0.00 H new ATOM 0 HA THR A 16 -2.575 -12.913 4.887 1.00 0.00 H new ATOM 0 HB THR A 16 -2.424 -13.595 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.748 -15.167 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.028 -15.837 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.186 -14.623 6.380 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.923 -15.252 5.296 1.00 0.00 H new ATOM 244 N CYS A 17 -4.521 -11.660 5.514 1.00 0.00 N ATOM 245 CA CYS A 17 -5.677 -10.826 5.793 1.00 0.00 C ATOM 246 C CYS A 17 -6.610 -11.597 6.730 1.00 0.00 C ATOM 247 O CYS A 17 -7.058 -12.694 6.401 1.00 0.00 O ATOM 248 CB CYS A 17 -6.388 -10.395 4.509 1.00 0.00 C ATOM 249 SG CYS A 17 -5.273 -9.965 3.122 1.00 0.00 S ATOM 0 H CYS A 17 -4.591 -12.214 4.660 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.355 -9.905 6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.050 -11.200 4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.018 -9.534 4.731 1.00 0.00 H new ATOM 254 N SER A 18 -6.875 -10.992 7.879 1.00 0.00 N ATOM 255 CA SER A 18 -7.746 -11.608 8.865 1.00 0.00 C ATOM 256 C SER A 18 -9.123 -10.943 8.835 1.00 0.00 C ATOM 257 O SER A 18 -9.248 -9.753 9.118 1.00 0.00 O ATOM 258 CB SER A 18 -7.142 -11.514 10.268 1.00 0.00 C ATOM 259 OG SER A 18 -7.581 -12.577 11.110 1.00 0.00 O ATOM 0 H SER A 18 -6.502 -10.082 8.149 1.00 0.00 H new ATOM 0 HA SER A 18 -7.854 -12.663 8.615 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.055 -11.533 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.415 -10.559 10.717 1.00 0.00 H new ATOM 0 HG SER A 18 -7.172 -12.483 11.996 1.00 0.00 H new ATOM 265 N GLY A 19 -10.123 -11.741 8.488 1.00 0.00 N ATOM 266 CA GLY A 19 -11.487 -11.245 8.417 1.00 0.00 C ATOM 267 C GLY A 19 -11.723 -10.478 7.115 1.00 0.00 C ATOM 268 O GLY A 19 -12.862 -10.154 6.779 1.00 0.00 O ATOM 0 H GLY A 19 -10.015 -12.728 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.185 -12.079 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.686 -10.594 9.268 1.00 0.00 H new ATOM 272 N GLU A 20 -10.630 -10.209 6.416 1.00 0.00 N ATOM 273 CA GLU A 20 -10.704 -9.486 5.158 1.00 0.00 C ATOM 274 C GLU A 20 -10.550 -10.451 3.981 1.00 0.00 C ATOM 275 O GLU A 20 -10.056 -11.565 4.148 1.00 0.00 O ATOM 276 CB GLU A 20 -9.652 -8.377 5.100 1.00 0.00 C ATOM 277 CG GLU A 20 -9.503 -7.691 6.459 1.00 0.00 C ATOM 278 CD GLU A 20 -8.930 -6.281 6.302 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.690 -6.183 6.178 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.744 -5.333 6.309 1.00 0.00 O ATOM 0 H GLU A 20 -9.688 -10.479 6.697 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.684 -9.015 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.694 -8.796 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.935 -7.642 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.473 -7.640 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.850 -8.283 7.100 1.00 0.00 H new ATOM 287 N THR A 21 -10.981 -9.988 2.817 1.00 0.00 N ATOM 288 CA THR A 21 -10.896 -10.797 1.612 1.00 0.00 C ATOM 289 C THR A 21 -10.496 -9.931 0.416 1.00 0.00 C ATOM 290 O THR A 21 -10.638 -10.348 -0.732 1.00 0.00 O ATOM 291 CB THR A 21 -12.237 -11.509 1.426 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.207 -10.500 1.697 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.492 -12.569 2.499 1.00 0.00 C ATOM 0 H THR A 21 -11.390 -9.063 2.682 1.00 0.00 H new ATOM 0 HA THR A 21 -10.118 -11.556 1.698 1.00 0.00 H new ATOM 0 HB THR A 21 -12.266 -11.976 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.107 -10.876 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.457 -13.043 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.705 -13.322 2.461 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.496 -12.098 3.482 1.00 0.00 H new ATOM 301 N ASN A 22 -10.003 -8.741 0.726 1.00 0.00 N ATOM 302 CA ASN A 22 -9.582 -7.812 -0.309 1.00 0.00 C ATOM 303 C ASN A 22 -8.237 -7.196 0.082 1.00 0.00 C ATOM 304 O ASN A 22 -7.903 -7.125 1.264 1.00 0.00 O ATOM 305 CB ASN A 22 -10.593 -6.676 -0.475 1.00 0.00 C ATOM 306 CG ASN A 22 -11.970 -7.219 -0.862 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.329 -7.299 -2.025 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.717 -7.587 0.174 1.00 0.00 N ATOM 0 H ASN A 22 -9.886 -8.399 1.680 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.504 -8.364 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.669 -6.113 0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.244 -5.982 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.652 -7.963 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.355 -7.493 1.123 1.00 0.00 H new ATOM 315 N CYS A 23 -7.502 -6.765 -0.933 1.00 0.00 N ATOM 316 CA CYS A 23 -6.202 -6.157 -0.710 1.00 0.00 C ATOM 317 C CYS A 23 -6.257 -4.711 -1.206 1.00 0.00 C ATOM 318 O CYS A 23 -6.825 -4.433 -2.262 1.00 0.00 O ATOM 319 CB CYS A 23 -5.083 -6.950 -1.388 1.00 0.00 C ATOM 320 SG CYS A 23 -5.039 -8.730 -0.964 1.00 0.00 S ATOM 0 H CYS A 23 -7.783 -6.825 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.971 -6.167 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.189 -6.851 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.126 -6.503 -1.119 1.00 0.00 H new ATOM 325 N TYR A 24 -5.658 -3.827 -0.422 1.00 0.00 N ATOM 326 CA TYR A 24 -5.632 -2.416 -0.768 1.00 0.00 C ATOM 327 C TYR A 24 -4.196 -1.927 -0.969 1.00 0.00 C ATOM 328 O TYR A 24 -3.261 -2.485 -0.397 1.00 0.00 O ATOM 329 CB TYR A 24 -6.246 -1.678 0.423 1.00 0.00 C ATOM 330 CG TYR A 24 -5.278 -1.460 1.587 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.472 -0.340 1.615 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.210 -2.384 2.611 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.560 -0.136 2.711 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.299 -2.179 3.707 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.519 -1.066 3.702 1.00 0.00 C ATOM 336 OH TYR A 24 -2.658 -0.872 4.737 1.00 0.00 O ATOM 0 H TYR A 24 -5.187 -4.061 0.452 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.176 -2.239 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.616 -0.710 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.108 -2.241 0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.525 0.384 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.840 -3.261 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.923 0.736 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.237 -2.893 4.515 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.896 -1.468 5.477 1.00 0.00 H new ATOM 346 N LYS A 25 -4.066 -0.891 -1.785 1.00 0.00 N ATOM 347 CA LYS A 25 -2.760 -0.321 -2.069 1.00 0.00 C ATOM 348 C LYS A 25 -2.871 1.204 -2.106 1.00 0.00 C ATOM 349 O LYS A 25 -3.581 1.759 -2.943 1.00 0.00 O ATOM 350 CB LYS A 25 -2.178 -0.927 -3.348 1.00 0.00 C ATOM 351 CG LYS A 25 -0.926 -0.168 -3.794 1.00 0.00 C ATOM 352 CD LYS A 25 -0.584 -0.483 -5.251 1.00 0.00 C ATOM 353 CE LYS A 25 -1.571 0.193 -6.204 1.00 0.00 C ATOM 354 NZ LYS A 25 -1.635 -0.538 -7.489 1.00 0.00 N ATOM 0 H LYS A 25 -4.844 -0.432 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.055 -0.570 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.931 -1.975 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.926 -0.900 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.086 0.904 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.086 -0.437 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.429 -0.146 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.602 -1.562 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.561 0.226 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.266 1.225 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.310 -0.065 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.693 -0.548 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.947 -1.515 -7.317 1.00 0.00 H new ATOM 368 N LYS A 26 -2.157 1.840 -1.188 1.00 0.00 N ATOM 369 CA LYS A 26 -2.166 3.290 -1.105 1.00 0.00 C ATOM 370 C LYS A 26 -0.812 3.832 -1.565 1.00 0.00 C ATOM 371 O LYS A 26 0.226 3.231 -1.291 1.00 0.00 O ATOM 372 CB LYS A 26 -2.564 3.744 0.301 1.00 0.00 C ATOM 373 CG LYS A 26 -3.601 2.797 0.910 1.00 0.00 C ATOM 374 CD LYS A 26 -4.071 3.303 2.276 1.00 0.00 C ATOM 375 CE LYS A 26 -2.909 3.355 3.270 1.00 0.00 C ATOM 376 NZ LYS A 26 -3.398 3.138 4.650 1.00 0.00 N ATOM 0 H LYS A 26 -1.569 1.377 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.920 3.704 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.681 3.781 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.969 4.755 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.455 2.707 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.171 1.801 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.508 4.296 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.854 2.650 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.171 2.595 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.408 4.321 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.659 2.666 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.630 4.054 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.249 2.541 4.627 1.00 0.00 H new ATOM 390 N TRP A 27 -0.866 4.960 -2.257 1.00 0.00 N ATOM 391 CA TRP A 27 0.345 5.590 -2.758 1.00 0.00 C ATOM 392 C TRP A 27 0.028 7.057 -3.052 1.00 0.00 C ATOM 393 O TRP A 27 -1.075 7.382 -3.491 1.00 0.00 O ATOM 394 CB TRP A 27 0.889 4.840 -3.976 1.00 0.00 C ATOM 395 CG TRP A 27 0.051 5.020 -5.243 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.239 5.897 -6.239 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.123 4.266 -5.612 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.723 5.763 -7.219 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.578 4.740 -6.826 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.779 3.218 -4.943 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.707 4.226 -7.475 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.905 2.715 -5.605 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.376 3.181 -6.827 1.00 0.00 C ATOM 0 H TRP A 27 -1.729 5.455 -2.483 1.00 0.00 H new ATOM 0 HA TRP A 27 1.139 5.548 -2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.906 5.179 -4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.948 3.778 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.043 6.618 -6.271 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.794 6.314 -8.075 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.441 2.831 -3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.044 4.615 -8.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.446 1.908 -5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.254 2.739 -7.274 1.00 0.00 H new ATOM 414 N TRP A 28 1.014 7.905 -2.799 1.00 0.00 N ATOM 415 CA TRP A 28 0.854 9.330 -3.031 1.00 0.00 C ATOM 416 C TRP A 28 2.247 9.960 -3.082 1.00 0.00 C ATOM 417 O TRP A 28 3.241 9.304 -2.775 1.00 0.00 O ATOM 418 CB TRP A 28 -0.049 9.961 -1.968 1.00 0.00 C ATOM 419 CG TRP A 28 0.548 9.951 -0.559 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.202 10.939 0.066 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.517 8.856 0.380 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.595 10.562 1.334 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.165 9.255 1.531 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.039 7.570 0.261 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.317 8.429 2.651 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.121 6.757 1.388 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.770 7.144 2.555 1.00 0.00 C ATOM 0 H TRP A 28 1.927 7.632 -2.435 1.00 0.00 H new ATOM 0 HA TRP A 28 0.354 9.512 -3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.264 10.991 -2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.001 9.430 -1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.397 11.909 -0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.107 11.137 2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.549 7.236 -0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.829 8.765 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.288 5.758 1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.852 6.456 3.384 1.00 0.00 H new ATOM 438 N SER A 29 2.275 11.226 -3.472 1.00 0.00 N ATOM 439 CA SER A 29 3.530 11.952 -3.567 1.00 0.00 C ATOM 440 C SER A 29 3.688 12.884 -2.364 1.00 0.00 C ATOM 441 O SER A 29 2.698 13.320 -1.778 1.00 0.00 O ATOM 442 CB SER A 29 3.607 12.750 -4.870 1.00 0.00 C ATOM 443 OG SER A 29 4.839 13.457 -4.991 1.00 0.00 O ATOM 0 H SER A 29 1.449 11.767 -3.726 1.00 0.00 H new ATOM 0 HA SER A 29 4.345 11.228 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.493 12.073 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.778 13.456 -4.912 1.00 0.00 H new ATOM 0 HG SER A 29 4.850 13.952 -5.836 1.00 0.00 H new ATOM 449 N ASP A 30 4.940 13.162 -2.031 1.00 0.00 N ATOM 450 CA ASP A 30 5.240 14.034 -0.909 1.00 0.00 C ATOM 451 C ASP A 30 6.510 14.831 -1.213 1.00 0.00 C ATOM 452 O ASP A 30 7.239 14.510 -2.150 1.00 0.00 O ATOM 453 CB ASP A 30 5.484 13.226 0.367 1.00 0.00 C ATOM 454 CG ASP A 30 5.565 14.053 1.651 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.816 15.051 1.732 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.374 13.670 2.523 1.00 0.00 O ATOM 0 H ASP A 30 5.758 12.798 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 30 4.387 14.696 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.683 12.494 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.413 12.668 0.253 1.00 0.00 H new ATOM 461 N HIS A 31 6.736 15.856 -0.404 1.00 0.00 N ATOM 462 CA HIS A 31 7.905 16.701 -0.575 1.00 0.00 C ATOM 463 C HIS A 31 9.170 15.895 -0.272 1.00 0.00 C ATOM 464 O HIS A 31 10.280 16.346 -0.552 1.00 0.00 O ATOM 465 CB HIS A 31 7.791 17.966 0.278 1.00 0.00 C ATOM 466 CG HIS A 31 7.306 17.716 1.686 1.00 0.00 C ATOM 467 ND1 HIS A 31 8.162 17.647 2.772 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.048 17.519 2.174 1.00 0.00 C ATOM 469 CE1 HIS A 31 7.440 17.418 3.859 1.00 0.00 C ATOM 470 NE2 HIS A 31 6.130 17.339 3.487 1.00 0.00 N ATOM 0 H HIS A 31 6.129 16.120 0.372 1.00 0.00 H new ATOM 0 HA HIS A 31 7.967 17.035 -1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.766 18.452 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.110 18.662 -0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.139 17.511 1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.822 17.312 4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.343 17.170 4.114 1.00 0.00 H new ATOM 479 N ARG A 32 8.961 14.716 0.295 1.00 0.00 N ATOM 480 CA ARG A 32 10.070 13.843 0.638 1.00 0.00 C ATOM 481 C ARG A 32 10.199 12.719 -0.392 1.00 0.00 C ATOM 482 O ARG A 32 11.291 12.200 -0.616 1.00 0.00 O ATOM 483 CB ARG A 32 9.881 13.233 2.028 1.00 0.00 C ATOM 484 CG ARG A 32 9.841 14.320 3.104 1.00 0.00 C ATOM 485 CD ARG A 32 9.959 13.712 4.503 1.00 0.00 C ATOM 486 NE ARG A 32 9.315 14.601 5.496 1.00 0.00 N ATOM 487 CZ ARG A 32 9.223 14.323 6.804 1.00 0.00 C ATOM 488 NH1 ARG A 32 9.734 13.181 7.284 1.00 0.00 N ATOM 489 NH2 ARG A 32 8.622 15.188 7.632 1.00 0.00 N ATOM 0 H ARG A 32 8.039 14.345 0.526 1.00 0.00 H new ATOM 0 HA ARG A 32 10.978 14.445 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.956 12.657 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.695 12.539 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.654 15.028 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.910 14.881 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.488 12.729 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.009 13.567 4.759 1.00 0.00 H new ATOM 0 HE ARG A 32 8.917 15.479 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.193 12.523 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.664 12.970 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.234 16.058 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.552 14.976 8.627 1.00 0.00 H new ATOM 503 N GLY A 33 9.068 12.376 -0.991 1.00 0.00 N ATOM 504 CA GLY A 33 9.041 11.322 -1.991 1.00 0.00 C ATOM 505 C GLY A 33 7.649 10.693 -2.087 1.00 0.00 C ATOM 506 O GLY A 33 6.711 11.152 -1.438 1.00 0.00 O ATOM 0 H GLY A 33 8.164 12.809 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.328 11.728 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.774 10.556 -1.737 1.00 0.00 H new ATOM 510 N THR A 34 7.561 9.651 -2.901 1.00 0.00 N ATOM 511 CA THR A 34 6.300 8.954 -3.090 1.00 0.00 C ATOM 512 C THR A 34 6.079 7.939 -1.966 1.00 0.00 C ATOM 513 O THR A 34 6.807 6.953 -1.863 1.00 0.00 O ATOM 514 CB THR A 34 6.313 8.324 -4.484 1.00 0.00 C ATOM 515 OG1 THR A 34 6.055 9.417 -5.361 1.00 0.00 O ATOM 516 CG2 THR A 34 5.131 7.378 -4.710 1.00 0.00 C ATOM 0 H THR A 34 8.342 9.273 -3.437 1.00 0.00 H new ATOM 0 HA THR A 34 5.455 9.641 -3.036 1.00 0.00 H new ATOM 0 HB THR A 34 7.246 7.780 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.048 9.098 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.188 6.958 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.165 6.572 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.197 7.930 -4.600 1.00 0.00 H new ATOM 524 N ILE A 35 5.070 8.216 -1.153 1.00 0.00 N ATOM 525 CA ILE A 35 4.744 7.339 -0.041 1.00 0.00 C ATOM 526 C ILE A 35 3.761 6.267 -0.514 1.00 0.00 C ATOM 527 O ILE A 35 2.760 6.577 -1.160 1.00 0.00 O ATOM 528 CB ILE A 35 4.238 8.153 1.152 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.263 9.209 1.569 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.854 7.237 2.316 1.00 0.00 C ATOM 531 CD1 ILE A 35 4.907 9.813 2.929 1.00 0.00 C ATOM 0 H ILE A 35 4.468 9.035 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 35 5.637 6.821 0.310 1.00 0.00 H new ATOM 0 HB ILE A 35 3.336 8.683 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.255 8.760 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.305 9.997 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.498 7.840 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.065 6.556 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.725 6.662 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.652 10.561 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.925 10.283 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.890 9.026 3.683 1.00 0.00 H new ATOM 543 N ILE A 36 4.079 5.026 -0.176 1.00 0.00 N ATOM 544 CA ILE A 36 3.237 3.906 -0.558 1.00 0.00 C ATOM 545 C ILE A 36 2.887 3.088 0.687 1.00 0.00 C ATOM 546 O ILE A 36 3.775 2.608 1.389 1.00 0.00 O ATOM 547 CB ILE A 36 3.904 3.086 -1.664 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.522 3.999 -2.725 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.922 2.083 -2.272 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.211 3.180 -3.819 1.00 0.00 C ATOM 0 H ILE A 36 4.909 4.772 0.359 1.00 0.00 H new ATOM 0 HA ILE A 36 2.298 4.263 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 36 4.717 2.511 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.747 4.625 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.244 4.669 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.422 1.513 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.570 1.402 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.073 2.618 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.642 3.853 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.001 2.574 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.481 2.529 -4.300 1.00 0.00 H new ATOM 562 N GLU A 37 1.590 2.955 0.923 1.00 0.00 N ATOM 563 CA GLU A 37 1.111 2.204 2.072 1.00 0.00 C ATOM 564 C GLU A 37 0.066 1.176 1.635 1.00 0.00 C ATOM 565 O GLU A 37 -1.017 1.542 1.179 1.00 0.00 O ATOM 566 CB GLU A 37 0.547 3.140 3.142 1.00 0.00 C ATOM 567 CG GLU A 37 0.173 2.364 4.407 1.00 0.00 C ATOM 568 CD GLU A 37 -0.305 3.310 5.510 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.125 4.483 5.477 1.00 0.00 O ATOM 570 OE2 GLU A 37 -1.090 2.839 6.361 1.00 0.00 O ATOM 0 H GLU A 37 0.856 3.354 0.338 1.00 0.00 H new ATOM 0 HA GLU A 37 1.954 1.671 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.283 3.906 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.332 3.655 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.611 1.643 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.035 1.797 4.758 1.00 0.00 H new ATOM 577 N ARG A 38 0.426 -0.090 1.790 1.00 0.00 N ATOM 578 CA ARG A 38 -0.468 -1.173 1.418 1.00 0.00 C ATOM 579 C ARG A 38 -0.685 -2.114 2.605 1.00 0.00 C ATOM 580 O ARG A 38 0.102 -2.118 3.550 1.00 0.00 O ATOM 581 CB ARG A 38 0.095 -1.971 0.240 1.00 0.00 C ATOM 582 CG ARG A 38 0.759 -1.046 -0.782 1.00 0.00 C ATOM 583 CD ARG A 38 1.393 -1.850 -1.919 1.00 0.00 C ATOM 584 NE ARG A 38 2.154 -0.949 -2.813 1.00 0.00 N ATOM 585 CZ ARG A 38 3.191 -1.339 -3.567 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.596 -2.616 -3.540 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.823 -0.452 -4.348 1.00 0.00 N ATOM 0 H ARG A 38 1.325 -0.390 2.168 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.419 -0.731 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.821 -2.698 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.707 -2.533 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.019 -0.356 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.521 -0.442 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.054 -2.614 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.619 -2.368 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 38 1.872 0.030 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.115 -3.291 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.385 -2.913 -4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.515 0.520 -4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.612 -0.749 -4.922 1.00 0.00 H new ATOM 601 N GLY A 39 -1.757 -2.888 2.516 1.00 0.00 N ATOM 602 CA GLY A 39 -2.088 -3.831 3.571 1.00 0.00 C ATOM 603 C GLY A 39 -3.310 -4.670 3.193 1.00 0.00 C ATOM 604 O GLY A 39 -3.793 -4.596 2.065 1.00 0.00 O ATOM 0 H GLY A 39 -2.407 -2.881 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.237 -4.486 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.285 -3.291 4.497 1.00 0.00 H new ATOM 608 N CYS A 40 -3.774 -5.450 4.159 1.00 0.00 N ATOM 609 CA CYS A 40 -4.930 -6.303 3.941 1.00 0.00 C ATOM 610 C CYS A 40 -6.192 -5.468 4.169 1.00 0.00 C ATOM 611 O CYS A 40 -6.180 -4.520 4.952 1.00 0.00 O ATOM 612 CB CYS A 40 -4.895 -7.542 4.837 1.00 0.00 C ATOM 613 SG CYS A 40 -3.825 -8.898 4.232 1.00 0.00 S ATOM 0 H CYS A 40 -3.370 -5.509 5.094 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.923 -6.676 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.555 -7.246 5.829 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.911 -7.922 4.948 1.00 0.00 H new ATOM 618 N GLY A 41 -7.251 -5.852 3.471 1.00 0.00 N ATOM 619 CA GLY A 41 -8.518 -5.151 3.588 1.00 0.00 C ATOM 620 C GLY A 41 -8.669 -4.104 2.483 1.00 0.00 C ATOM 621 O GLY A 41 -7.924 -4.116 1.505 1.00 0.00 O ATOM 0 H GLY A 41 -7.257 -6.639 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.339 -5.865 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.582 -4.668 4.563 1.00 0.00 H new ATOM 625 N CYS A 42 -9.639 -3.222 2.677 1.00 0.00 N ATOM 626 CA CYS A 42 -9.897 -2.169 1.709 1.00 0.00 C ATOM 627 C CYS A 42 -10.347 -0.919 2.468 1.00 0.00 C ATOM 628 O CYS A 42 -11.527 -0.572 2.457 1.00 0.00 O ATOM 629 CB CYS A 42 -10.926 -2.603 0.663 1.00 0.00 C ATOM 630 SG CYS A 42 -11.444 -1.285 -0.497 1.00 0.00 S ATOM 0 H CYS A 42 -10.255 -3.215 3.490 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.984 -1.948 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.512 -3.431 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.809 -2.982 1.178 1.00 0.00 H new ATOM 635 N PRO A 43 -9.382 -0.276 3.109 1.00 0.00 N ATOM 636 CA PRO A 43 -9.586 0.941 3.896 1.00 0.00 C ATOM 637 C PRO A 43 -9.914 2.128 2.988 1.00 0.00 C ATOM 638 O PRO A 43 -9.992 1.978 1.769 1.00 0.00 O ATOM 639 CB PRO A 43 -8.238 1.145 4.591 1.00 0.00 C ATOM 640 CG PRO A 43 -7.256 0.499 3.657 1.00 0.00 C ATOM 641 CD PRO A 43 -7.980 -0.700 3.113 1.00 0.00 C ATOM 0 HA PRO A 43 -10.418 0.861 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.018 2.203 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.220 0.679 5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.962 1.180 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.345 0.208 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.635 -0.958 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.828 -1.580 3.739 1.00 0.00 H new ATOM 649 N LYS A 44 -10.098 3.281 3.615 1.00 0.00 N ATOM 650 CA LYS A 44 -10.417 4.492 2.877 1.00 0.00 C ATOM 651 C LYS A 44 -9.269 5.492 3.028 1.00 0.00 C ATOM 652 O LYS A 44 -8.686 5.616 4.104 1.00 0.00 O ATOM 653 CB LYS A 44 -11.775 5.044 3.315 1.00 0.00 C ATOM 654 CG LYS A 44 -11.668 5.758 4.664 1.00 0.00 C ATOM 655 CD LYS A 44 -11.314 7.235 4.475 1.00 0.00 C ATOM 656 CE LYS A 44 -11.790 8.069 5.666 1.00 0.00 C ATOM 657 NZ LYS A 44 -10.776 8.060 6.744 1.00 0.00 N ATOM 0 H LYS A 44 -10.032 3.402 4.626 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.515 4.276 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.150 5.737 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.496 4.230 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.613 5.672 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.908 5.273 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.236 7.342 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.772 7.608 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.981 9.094 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.733 7.672 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.115 8.631 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.614 7.082 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.885 8.460 6.386 1.00 0.00 H new ATOM 671 N VAL A 45 -8.979 6.180 1.934 1.00 0.00 N ATOM 672 CA VAL A 45 -7.911 7.165 1.930 1.00 0.00 C ATOM 673 C VAL A 45 -8.510 8.559 1.731 1.00 0.00 C ATOM 674 O VAL A 45 -9.649 8.691 1.287 1.00 0.00 O ATOM 675 CB VAL A 45 -6.869 6.805 0.869 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.349 5.380 1.073 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.437 6.985 -0.540 1.00 0.00 C ATOM 0 H VAL A 45 -9.465 6.075 1.044 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.391 7.168 2.888 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.027 7.488 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.610 5.149 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.888 5.298 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.178 4.676 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.676 6.723 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.304 6.337 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.736 8.024 -0.682 1.00 0.00 H new ATOM 687 N LYS A 46 -7.715 9.564 2.068 1.00 0.00 N ATOM 688 CA LYS A 46 -8.152 10.943 1.931 1.00 0.00 C ATOM 689 C LYS A 46 -7.876 11.422 0.505 1.00 0.00 C ATOM 690 O LYS A 46 -7.205 10.736 -0.265 1.00 0.00 O ATOM 691 CB LYS A 46 -7.509 11.818 3.009 1.00 0.00 C ATOM 692 CG LYS A 46 -7.426 11.073 4.343 1.00 0.00 C ATOM 693 CD LYS A 46 -7.041 12.024 5.479 1.00 0.00 C ATOM 694 CE LYS A 46 -5.636 12.591 5.267 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.263 13.483 6.388 1.00 0.00 N ATOM 0 H LYS A 46 -6.770 9.451 2.436 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.228 11.019 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.510 12.116 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.089 12.732 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.386 10.607 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.692 10.271 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.762 12.840 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.084 11.495 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.917 11.776 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.598 13.142 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.307 13.859 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.940 14.270 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.280 12.947 7.279 1.00 0.00 H new ATOM 709 N PRO A 47 -8.409 12.595 0.195 1.00 0.00 N ATOM 710 CA PRO A 47 -8.274 13.245 -1.110 1.00 0.00 C ATOM 711 C PRO A 47 -6.794 13.470 -1.428 1.00 0.00 C ATOM 712 O PRO A 47 -6.041 13.951 -0.582 1.00 0.00 O ATOM 713 CB PRO A 47 -8.976 14.590 -0.919 1.00 0.00 C ATOM 714 CG PRO A 47 -9.944 14.334 0.199 1.00 0.00 C ATOM 715 CD PRO A 47 -9.207 13.403 1.120 1.00 0.00 C ATOM 0 HA PRO A 47 -8.694 12.657 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.268 15.378 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.489 14.906 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.221 15.259 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.866 13.883 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.580 13.946 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.891 12.789 1.707 1.00 0.00 H new ATOM 723 N GLY A 48 -6.422 13.113 -2.648 1.00 0.00 N ATOM 724 CA GLY A 48 -5.045 13.271 -3.087 1.00 0.00 C ATOM 725 C GLY A 48 -4.305 11.933 -3.061 1.00 0.00 C ATOM 726 O GLY A 48 -3.457 11.672 -3.912 1.00 0.00 O ATOM 0 H GLY A 48 -7.049 12.715 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.026 13.682 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.534 13.986 -2.442 1.00 0.00 H new ATOM 730 N VAL A 49 -4.652 11.120 -2.074 1.00 0.00 N ATOM 731 CA VAL A 49 -4.030 9.815 -1.925 1.00 0.00 C ATOM 732 C VAL A 49 -4.704 8.823 -2.876 1.00 0.00 C ATOM 733 O VAL A 49 -5.899 8.930 -3.145 1.00 0.00 O ATOM 734 CB VAL A 49 -4.086 9.372 -0.461 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.043 8.289 -0.176 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.908 10.566 0.479 1.00 0.00 C ATOM 0 H VAL A 49 -5.356 11.340 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.975 9.861 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.072 8.944 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.104 7.992 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.234 7.424 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.047 8.679 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.952 10.225 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.942 11.035 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.703 11.290 0.302 1.00 0.00 H new ATOM 746 N ASN A 50 -3.907 7.881 -3.358 1.00 0.00 N ATOM 747 CA ASN A 50 -4.411 6.870 -4.272 1.00 0.00 C ATOM 748 C ASN A 50 -4.662 5.572 -3.503 1.00 0.00 C ATOM 749 O ASN A 50 -3.918 5.238 -2.582 1.00 0.00 O ATOM 750 CB ASN A 50 -3.398 6.576 -5.380 1.00 0.00 C ATOM 751 CG ASN A 50 -3.406 7.681 -6.439 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.249 7.727 -7.318 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.421 8.565 -6.305 1.00 0.00 N ATOM 0 H ASN A 50 -2.916 7.796 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.332 7.246 -4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.400 6.486 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.632 5.619 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.339 9.341 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.748 8.467 -5.545 1.00 0.00 H new ATOM 760 N LEU A 51 -5.712 4.874 -3.910 1.00 0.00 N ATOM 761 CA LEU A 51 -6.070 3.619 -3.271 1.00 0.00 C ATOM 762 C LEU A 51 -6.621 2.655 -4.323 1.00 0.00 C ATOM 763 O LEU A 51 -7.370 3.061 -5.211 1.00 0.00 O ATOM 764 CB LEU A 51 -7.027 3.867 -2.102 1.00 0.00 C ATOM 765 CG LEU A 51 -7.653 2.621 -1.473 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.582 1.589 -1.117 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.516 2.992 -0.265 1.00 0.00 C ATOM 0 H LEU A 51 -6.326 5.154 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.188 3.147 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.488 4.410 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.830 4.518 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.311 2.160 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.054 0.713 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.047 1.293 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.880 2.024 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.949 2.088 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.899 3.489 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.315 3.663 -0.581 1.00 0.00 H new ATOM 779 N ASN A 52 -6.230 1.396 -4.188 1.00 0.00 N ATOM 780 CA ASN A 52 -6.676 0.371 -5.116 1.00 0.00 C ATOM 781 C ASN A 52 -7.012 -0.903 -4.339 1.00 0.00 C ATOM 782 O ASN A 52 -6.154 -1.465 -3.660 1.00 0.00 O ATOM 783 CB ASN A 52 -5.581 0.031 -6.130 1.00 0.00 C ATOM 784 CG ASN A 52 -5.884 -1.287 -6.844 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.020 -2.123 -7.052 1.00 0.00 O ATOM 786 ND2 ASN A 52 -7.157 -1.427 -7.205 1.00 0.00 N ATOM 0 H ASN A 52 -5.609 1.063 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.551 0.752 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.497 0.834 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.619 -0.039 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.460 -2.273 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.829 -0.688 -7.000 1.00 0.00 H new ATOM 793 N CYS A 53 -8.263 -1.322 -4.464 1.00 0.00 N ATOM 794 CA CYS A 53 -8.723 -2.519 -3.781 1.00 0.00 C ATOM 795 C CYS A 53 -8.995 -3.597 -4.833 1.00 0.00 C ATOM 796 O CYS A 53 -9.422 -3.291 -5.945 1.00 0.00 O ATOM 797 CB CYS A 53 -9.956 -2.240 -2.919 1.00 0.00 C ATOM 798 SG CYS A 53 -9.731 -0.931 -1.660 1.00 0.00 S ATOM 0 H CYS A 53 -8.972 -0.854 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.952 -2.868 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.782 -1.959 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.247 -3.162 -2.416 1.00 0.00 H new ATOM 803 N CYS A 54 -8.735 -4.837 -4.443 1.00 0.00 N ATOM 804 CA CYS A 54 -8.946 -5.962 -5.338 1.00 0.00 C ATOM 805 C CYS A 54 -9.201 -7.209 -4.490 1.00 0.00 C ATOM 806 O CYS A 54 -8.917 -7.219 -3.293 1.00 0.00 O ATOM 807 CB CYS A 54 -7.767 -6.153 -6.294 1.00 0.00 C ATOM 808 SG CYS A 54 -6.123 -5.823 -5.561 1.00 0.00 S ATOM 0 H CYS A 54 -8.380 -5.087 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.813 -5.770 -5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.783 -7.176 -6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.904 -5.497 -7.153 1.00 0.00 H new ATOM 813 N ARG A 55 -9.734 -8.231 -5.143 1.00 0.00 N ATOM 814 CA ARG A 55 -10.030 -9.481 -4.464 1.00 0.00 C ATOM 815 C ARG A 55 -9.108 -10.592 -4.970 1.00 0.00 C ATOM 816 O ARG A 55 -9.563 -11.697 -5.261 1.00 0.00 O ATOM 817 CB ARG A 55 -11.486 -9.897 -4.685 1.00 0.00 C ATOM 818 CG ARG A 55 -12.447 -8.862 -4.096 1.00 0.00 C ATOM 819 CD ARG A 55 -13.750 -8.806 -4.896 1.00 0.00 C ATOM 820 NE ARG A 55 -14.382 -7.477 -4.742 1.00 0.00 N ATOM 821 CZ ARG A 55 -13.979 -6.374 -5.388 1.00 0.00 C ATOM 822 NH1 ARG A 55 -12.943 -6.434 -6.234 1.00 0.00 N ATOM 823 NH2 ARG A 55 -14.613 -5.210 -5.186 1.00 0.00 N ATOM 0 H ARG A 55 -9.969 -8.219 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.866 -9.325 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.678 -10.011 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.665 -10.868 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.664 -9.112 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.974 -7.880 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.548 -9.002 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.431 -9.584 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.174 -7.395 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.460 -7.319 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.637 -5.594 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.402 -5.164 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.307 -4.370 -5.677 1.00 0.00 H new ATOM 837 N THR A 56 -7.828 -10.260 -5.058 1.00 0.00 N ATOM 838 CA THR A 56 -6.838 -11.216 -5.524 1.00 0.00 C ATOM 839 C THR A 56 -5.621 -11.217 -4.596 1.00 0.00 C ATOM 840 O THR A 56 -5.234 -10.174 -4.072 1.00 0.00 O ATOM 841 CB THR A 56 -6.495 -10.873 -6.975 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.580 -9.451 -7.025 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.569 -11.345 -7.958 1.00 0.00 C ATOM 0 H THR A 56 -7.454 -9.343 -4.815 1.00 0.00 H new ATOM 0 HA THR A 56 -7.228 -12.233 -5.499 1.00 0.00 H new ATOM 0 HB THR A 56 -5.538 -11.324 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.370 -9.142 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.276 -11.077 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.678 -12.427 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.519 -10.868 -7.716 1.00 0.00 H new ATOM 851 N ASP A 57 -5.051 -12.401 -4.422 1.00 0.00 N ATOM 852 CA ASP A 57 -3.886 -12.552 -3.567 1.00 0.00 C ATOM 853 C ASP A 57 -2.739 -11.705 -4.121 1.00 0.00 C ATOM 854 O ASP A 57 -2.542 -11.637 -5.333 1.00 0.00 O ATOM 855 CB ASP A 57 -3.420 -14.008 -3.523 1.00 0.00 C ATOM 856 CG ASP A 57 -4.463 -15.006 -3.015 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.609 -15.092 -1.777 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.090 -15.660 -3.877 1.00 0.00 O ATOM 0 H ASP A 57 -5.374 -13.264 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.161 -12.231 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.112 -14.306 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.537 -14.072 -2.886 1.00 0.00 H new ATOM 863 N ARG A 58 -2.012 -11.079 -3.207 1.00 0.00 N ATOM 864 CA ARG A 58 -0.890 -10.239 -3.589 1.00 0.00 C ATOM 865 C ARG A 58 -1.245 -9.408 -4.824 1.00 0.00 C ATOM 866 O ARG A 58 -0.406 -9.203 -5.700 1.00 0.00 O ATOM 867 CB ARG A 58 0.351 -11.081 -3.888 1.00 0.00 C ATOM 868 CG ARG A 58 0.477 -12.244 -2.901 1.00 0.00 C ATOM 869 CD ARG A 58 1.911 -12.776 -2.860 1.00 0.00 C ATOM 870 NE ARG A 58 2.128 -13.549 -1.617 1.00 0.00 N ATOM 871 CZ ARG A 58 3.203 -14.315 -1.387 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.166 -14.414 -2.314 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.316 -14.981 -0.230 1.00 0.00 N ATOM 0 H ARG A 58 -2.178 -11.137 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.672 -9.576 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.296 -11.468 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.241 -10.455 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.179 -11.915 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.204 -13.045 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.098 -13.408 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.617 -11.947 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 58 1.415 -13.495 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.080 -13.906 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.984 -14.997 -2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.584 -14.905 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.134 -15.564 -0.055 1.00 0.00 H new ATOM 887 N CYS A 59 -2.489 -8.954 -4.854 1.00 0.00 N ATOM 888 CA CYS A 59 -2.965 -8.150 -5.968 1.00 0.00 C ATOM 889 C CYS A 59 -2.616 -6.687 -5.688 1.00 0.00 C ATOM 890 O CYS A 59 -2.543 -5.876 -6.609 1.00 0.00 O ATOM 891 CB CYS A 59 -4.464 -8.344 -6.205 1.00 0.00 C ATOM 892 SG CYS A 59 -5.545 -7.610 -4.923 1.00 0.00 S ATOM 0 H CYS A 59 -3.182 -9.127 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.474 -8.470 -6.887 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.724 -7.911 -7.171 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.672 -9.412 -6.268 1.00 0.00 H new ATOM 897 N ASN A 60 -2.409 -6.395 -4.412 1.00 0.00 N ATOM 898 CA ASN A 60 -2.069 -5.043 -4.000 1.00 0.00 C ATOM 899 C ASN A 60 -0.549 -4.916 -3.890 1.00 0.00 C ATOM 900 O ASN A 60 -0.036 -4.394 -2.901 1.00 0.00 O ATOM 901 CB ASN A 60 -2.671 -4.717 -2.632 1.00 0.00 C ATOM 902 CG ASN A 60 -2.072 -5.609 -1.542 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.790 -6.778 -1.746 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.894 -4.994 -0.377 1.00 0.00 N ATOM 0 H ASN A 60 -2.470 -7.071 -3.650 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.468 -4.353 -4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.489 -3.670 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.752 -4.853 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.500 -5.504 0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.152 -4.013 -0.274 1.00 0.00 H new ATOM 911 N ASN A 61 0.130 -5.401 -4.919 1.00 0.00 N ATOM 912 CA ASN A 61 1.582 -5.347 -4.951 1.00 0.00 C ATOM 913 C ASN A 61 2.028 -3.927 -5.302 1.00 0.00 C ATOM 914 O ASN A 61 1.185 -3.015 -5.157 1.00 0.00 O ATOM 915 CB ASN A 61 2.145 -6.296 -6.011 1.00 0.00 C ATOM 916 CG ASN A 61 3.674 -6.310 -5.977 1.00 0.00 C ATOM 917 OD1 ASN A 61 4.345 -6.148 -6.983 1.00 0.00 O ATOM 918 ND2 ASN A 61 4.186 -6.513 -4.766 1.00 0.00 N ATOM 919 OXT ASN A 61 3.201 -3.785 -5.708 1.00 0.00 O ATOM 0 H ASN A 61 -0.299 -5.833 -5.737 1.00 0.00 H new ATOM 0 HA ASN A 61 1.952 -5.643 -3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.765 -7.303 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.802 -5.988 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.198 -6.540 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.567 -6.641 -3.966 1.00 0.00 H new TER 926 ASN A 61