USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 26 GLN : amide:sc= -4.94! C(o=-6.4!,f=-9.7!) USER MOD Set 1.2: A 35 GLN : amide:sc= -1.06 K(o=-6.4,f=-7.7) USER MOD Set 1.3: A 39 GLN : amide:sc= -0.418 X(o=-6.4,f=-6) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.311 K(o=-0.31,f=-1.8) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.711 X(o=-0.71,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -0.591 (180deg=-1.25) USER MOD Single : A 19 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.049) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.12 F(o=-2.1!,f=-1.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= 0.0363 USER MOD Single : A 27 GLN : amide:sc= -0.825 K(o=-0.83,f=-2.6) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.00693 K(o=0.0069,f=-4.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.33) USER MOD Single : A 60 SER OG : rot 180:sc= 0.011 USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= 0.972 (180deg=-1.08) USER MOD Single : A 64 MET CE :methyl -165:sc= -0.449 (180deg=-1.06) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.724 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 140:sc= -3.14! USER MOD Single : A 80 MET CE :methyl -121:sc= -0.154 (180deg=-1.46) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.038 10.998 10.998 1.00 0.00 N ATOM 60 CA GLY A 7 4.956 10.089 10.670 1.00 0.00 C ATOM 61 C GLY A 7 3.595 10.752 10.757 1.00 0.00 C ATOM 62 O GLY A 7 3.497 11.977 10.841 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.104 9.701 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.985 9.235 11.347 1.00 0.00 H new ATOM 66 N LEU A 8 2.542 9.943 10.735 1.00 0.00 N ATOM 67 CA LEU A 8 1.179 10.458 10.810 1.00 0.00 C ATOM 68 C LEU A 8 0.254 9.454 11.491 1.00 0.00 C ATOM 69 O LEU A 8 0.459 8.243 11.399 1.00 0.00 O ATOM 70 CB LEU A 8 0.657 10.781 9.409 1.00 0.00 C ATOM 71 CG LEU A 8 0.778 9.663 8.373 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.347 9.757 7.353 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.133 9.720 7.683 1.00 0.00 C ATOM 0 H LEU A 8 2.606 8.927 10.666 1.00 0.00 H new ATOM 0 HA LEU A 8 1.194 11.371 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.393 11.062 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.192 11.654 9.036 1.00 0.00 H new ATOM 0 HG LEU A 8 0.695 8.706 8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.245 8.954 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.307 9.666 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.296 10.719 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.202 8.917 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.246 10.681 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.924 9.603 8.424 1.00 0.00 H new ATOM 85 N THR A 9 -0.766 9.965 12.173 1.00 0.00 N ATOM 86 CA THR A 9 -1.723 9.114 12.868 1.00 0.00 C ATOM 87 C THR A 9 -2.992 8.927 12.044 1.00 0.00 C ATOM 88 O THR A 9 -3.883 9.777 12.056 1.00 0.00 O ATOM 89 CB THR A 9 -2.099 9.698 14.243 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.916 9.931 15.016 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.026 8.755 14.996 1.00 0.00 C ATOM 0 H THR A 9 -0.950 10.965 12.259 1.00 0.00 H new ATOM 0 HA THR A 9 -1.240 8.147 13.012 1.00 0.00 H new ATOM 0 HB THR A 9 -2.619 10.642 14.083 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.163 10.304 15.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.278 9.188 15.964 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.938 8.603 14.418 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.527 7.797 15.146 1.00 0.00 H new ATOM 99 N VAL A 10 -3.069 7.809 11.330 1.00 0.00 N ATOM 100 CA VAL A 10 -4.231 7.509 10.501 1.00 0.00 C ATOM 101 C VAL A 10 -4.873 6.189 10.911 1.00 0.00 C ATOM 102 O VAL A 10 -4.181 5.209 11.190 1.00 0.00 O ATOM 103 CB VAL A 10 -3.854 7.443 9.009 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.588 6.622 8.814 1.00 0.00 C ATOM 105 CG2 VAL A 10 -5.003 6.867 8.195 1.00 0.00 C ATOM 0 H VAL A 10 -2.340 7.095 11.309 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.945 8.319 10.652 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.660 8.456 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.337 6.586 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.768 7.081 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.751 5.609 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.720 6.827 7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.230 5.861 8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.883 7.499 8.310 1.00 0.00 H new ATOM 115 N THR A 11 -6.202 6.168 10.946 1.00 0.00 N ATOM 116 CA THR A 11 -6.938 4.968 11.323 1.00 0.00 C ATOM 117 C THR A 11 -7.244 4.106 10.104 1.00 0.00 C ATOM 118 O THR A 11 -7.527 4.621 9.022 1.00 0.00 O ATOM 119 CB THR A 11 -8.259 5.320 12.034 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.995 5.737 13.378 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.202 4.126 12.044 1.00 0.00 C ATOM 0 H THR A 11 -6.791 6.969 10.718 1.00 0.00 H new ATOM 0 HA THR A 11 -6.302 4.409 12.010 1.00 0.00 H new ATOM 0 HB THR A 11 -8.735 6.135 11.488 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.839 5.960 13.823 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.128 4.398 12.551 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.423 3.829 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.731 3.295 12.569 1.00 0.00 H new ATOM 129 N VAL A 12 -7.187 2.790 10.286 1.00 0.00 N ATOM 130 CA VAL A 12 -7.460 1.856 9.201 1.00 0.00 C ATOM 131 C VAL A 12 -8.695 1.012 9.500 1.00 0.00 C ATOM 132 O VAL A 12 -8.782 0.368 10.545 1.00 0.00 O ATOM 133 CB VAL A 12 -6.262 0.921 8.950 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.689 -0.286 8.128 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.135 1.674 8.259 1.00 0.00 C ATOM 0 H VAL A 12 -6.954 2.347 11.175 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.639 2.453 8.307 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.894 0.564 9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.829 -0.935 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.461 -0.837 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.083 0.048 7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.297 0.998 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.488 2.061 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.811 2.503 8.889 1.00 0.00 H new ATOM 145 N THR A 13 -9.649 1.021 8.574 1.00 0.00 N ATOM 146 CA THR A 13 -10.879 0.257 8.737 1.00 0.00 C ATOM 147 C THR A 13 -10.717 -1.166 8.217 1.00 0.00 C ATOM 148 O THR A 13 -10.641 -1.392 7.009 1.00 0.00 O ATOM 149 CB THR A 13 -12.058 0.927 8.006 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.062 2.335 8.270 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.382 0.320 8.444 1.00 0.00 C ATOM 0 H THR A 13 -9.593 1.549 7.703 1.00 0.00 H new ATOM 0 HA THR A 13 -11.092 0.228 9.806 1.00 0.00 H new ATOM 0 HB THR A 13 -11.936 0.759 6.936 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.813 2.754 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.199 0.809 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.387 -0.746 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.509 0.461 9.517 1.00 0.00 H new ATOM 159 N HIS A 14 -10.664 -2.125 9.136 1.00 0.00 N ATOM 160 CA HIS A 14 -10.511 -3.529 8.770 1.00 0.00 C ATOM 161 C HIS A 14 -11.426 -4.413 9.611 1.00 0.00 C ATOM 162 O HIS A 14 -11.735 -4.089 10.758 1.00 0.00 O ATOM 163 CB HIS A 14 -9.057 -3.968 8.944 1.00 0.00 C ATOM 164 CG HIS A 14 -8.779 -5.341 8.413 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.666 -6.451 9.223 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.592 -5.779 7.147 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.420 -7.514 8.477 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.370 -7.133 7.213 1.00 0.00 N ATOM 0 H HIS A 14 -10.725 -1.956 10.140 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.793 -3.638 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.407 -3.253 8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.801 -3.938 10.003 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.758 -6.452 10.239 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.613 -5.176 6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.283 -8.522 8.839 1.00 0.00 H new ATOM 177 N SER A 15 -11.858 -5.529 9.033 1.00 0.00 N ATOM 178 CA SER A 15 -12.741 -6.458 9.729 1.00 0.00 C ATOM 179 C SER A 15 -13.903 -5.716 10.383 1.00 0.00 C ATOM 180 O SER A 15 -14.182 -5.897 11.567 1.00 0.00 O ATOM 181 CB SER A 15 -11.962 -7.242 10.786 1.00 0.00 C ATOM 182 OG SER A 15 -11.353 -8.391 10.224 1.00 0.00 O ATOM 0 H SER A 15 -11.611 -5.812 8.085 1.00 0.00 H new ATOM 0 HA SER A 15 -13.145 -7.155 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.199 -6.602 11.229 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.634 -7.540 11.591 1.00 0.00 H new ATOM 0 HG SER A 15 -10.860 -8.873 10.920 1.00 0.00 H new ATOM 188 N ASN A 16 -14.577 -4.878 9.601 1.00 0.00 N ATOM 189 CA ASN A 16 -15.709 -4.107 10.103 1.00 0.00 C ATOM 190 C ASN A 16 -15.366 -3.442 11.432 1.00 0.00 C ATOM 191 O ASN A 16 -16.216 -3.320 12.313 1.00 0.00 O ATOM 192 CB ASN A 16 -16.933 -5.010 10.272 1.00 0.00 C ATOM 193 CG ASN A 16 -18.204 -4.220 10.514 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.618 -4.024 11.657 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.830 -3.762 9.436 1.00 0.00 N ATOM 0 H ASN A 16 -14.359 -4.716 8.618 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.938 -3.328 9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.054 -5.624 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.767 -5.691 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.690 -3.224 9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.450 -3.949 8.508 1.00 0.00 H new ATOM 202 N GLU A 17 -14.115 -3.012 11.568 1.00 0.00 N ATOM 203 CA GLU A 17 -13.661 -2.359 12.790 1.00 0.00 C ATOM 204 C GLU A 17 -12.639 -1.270 12.477 1.00 0.00 C ATOM 205 O GLU A 17 -12.173 -1.146 11.345 1.00 0.00 O ATOM 206 CB GLU A 17 -13.052 -3.385 13.747 1.00 0.00 C ATOM 207 CG GLU A 17 -14.076 -4.319 14.371 1.00 0.00 C ATOM 208 CD GLU A 17 -13.651 -4.821 15.737 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.474 -5.211 15.886 1.00 0.00 O ATOM 210 OE2 GLU A 17 -14.496 -4.826 16.657 1.00 0.00 O ATOM 0 H GLU A 17 -13.399 -3.104 10.848 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.525 -1.896 13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.313 -3.978 13.208 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.522 -2.859 14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.030 -3.799 14.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.237 -5.170 13.709 1.00 0.00 H new ATOM 217 N LYS A 18 -12.296 -0.481 13.490 1.00 0.00 N ATOM 218 CA LYS A 18 -11.329 0.599 13.326 1.00 0.00 C ATOM 219 C LYS A 18 -10.059 0.317 14.122 1.00 0.00 C ATOM 220 O LYS A 18 -10.119 -0.113 15.274 1.00 0.00 O ATOM 221 CB LYS A 18 -11.939 1.930 13.772 1.00 0.00 C ATOM 222 CG LYS A 18 -13.033 2.437 12.848 1.00 0.00 C ATOM 223 CD LYS A 18 -12.469 3.321 11.749 1.00 0.00 C ATOM 224 CE LYS A 18 -13.573 3.886 10.867 1.00 0.00 C ATOM 225 NZ LYS A 18 -13.105 5.059 10.078 1.00 0.00 N ATOM 0 H LYS A 18 -12.673 -0.569 14.434 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.068 0.662 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.347 1.815 14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.150 2.680 13.833 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.556 1.590 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.768 2.997 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.902 4.139 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.773 2.746 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.929 3.111 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.419 4.180 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.895 5.720 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.339 5.540 10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.753 4.738 9.154 1.00 0.00 H new ATOM 239 N HIS A 19 -8.910 0.564 13.501 1.00 0.00 N ATOM 240 CA HIS A 19 -7.625 0.339 14.153 1.00 0.00 C ATOM 241 C HIS A 19 -6.668 1.496 13.882 1.00 0.00 C ATOM 242 O HIS A 19 -6.164 1.650 12.770 1.00 0.00 O ATOM 243 CB HIS A 19 -7.007 -0.973 13.670 1.00 0.00 C ATOM 244 CG HIS A 19 -7.876 -2.169 13.910 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.180 -2.637 15.171 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.510 -2.991 13.042 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.961 -3.698 15.068 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.176 -3.933 13.786 1.00 0.00 N ATOM 0 H HIS A 19 -8.843 0.920 12.547 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.797 0.277 15.228 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.797 -0.895 12.603 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.051 -1.122 14.173 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.495 -2.919 11.964 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.356 -4.275 15.891 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.745 -4.692 13.410 1.00 0.00 H new ATOM 257 N ASP A 20 -6.423 2.308 14.905 1.00 0.00 N ATOM 258 CA ASP A 20 -5.527 3.451 14.778 1.00 0.00 C ATOM 259 C ASP A 20 -4.085 2.991 14.585 1.00 0.00 C ATOM 260 O ASP A 20 -3.576 2.170 15.349 1.00 0.00 O ATOM 261 CB ASP A 20 -5.629 4.347 16.013 1.00 0.00 C ATOM 262 CG ASP A 20 -7.064 4.689 16.362 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.845 3.756 16.644 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.406 5.890 16.355 1.00 0.00 O ATOM 0 H ASP A 20 -6.833 2.195 15.832 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.828 4.022 13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.161 3.847 16.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.071 5.267 15.838 1.00 0.00 H new ATOM 269 N LEU A 21 -3.431 3.525 13.559 1.00 0.00 N ATOM 270 CA LEU A 21 -2.048 3.170 13.265 1.00 0.00 C ATOM 271 C LEU A 21 -1.197 4.419 13.058 1.00 0.00 C ATOM 272 O LEU A 21 -1.679 5.436 12.560 1.00 0.00 O ATOM 273 CB LEU A 21 -1.982 2.283 12.021 1.00 0.00 C ATOM 274 CG LEU A 21 -3.048 1.191 11.917 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.933 0.457 10.590 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.928 0.217 13.080 1.00 0.00 C ATOM 0 H LEU A 21 -3.837 4.206 12.917 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.651 2.620 14.118 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.057 2.921 11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.001 1.809 11.989 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.030 1.662 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.699 -0.316 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.069 1.163 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.948 -0.003 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.694 -0.553 12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.942 -0.248 13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.062 0.754 14.019 1.00 0.00 H new ATOM 288 N HIS A 22 0.073 4.334 13.443 1.00 0.00 N ATOM 289 CA HIS A 22 0.993 5.456 13.297 1.00 0.00 C ATOM 290 C HIS A 22 2.004 5.190 12.186 1.00 0.00 C ATOM 291 O HIS A 22 2.963 4.440 12.373 1.00 0.00 O ATOM 292 CB HIS A 22 1.722 5.720 14.615 1.00 0.00 C ATOM 293 CG HIS A 22 2.892 6.645 14.477 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.187 7.564 13.528 1.00 0.00 N flip ATOM 295 CD2 HIS A 22 3.927 6.690 15.387 1.00 0.00 C flip ATOM 296 CE1 HIS A 22 4.383 8.142 13.878 1.00 0.00 C flip ATOM 297 NE2 HIS A 22 4.808 7.597 15.004 1.00 0.00 N flip ATOM 0 H HIS A 22 0.488 3.500 13.858 1.00 0.00 H new ATOM 0 HA HIS A 22 0.411 6.338 13.030 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.018 6.142 15.332 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.066 4.771 15.027 1.00 0.00 H new ATOM 0 HD2 HIS A 22 4.005 6.079 16.274 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.893 8.916 13.323 1.00 0.00 H new ATOM 0 HE2 HIS A 22 5.670 7.836 15.494 1.00 0.00 H new ATOM 306 N VAL A 23 1.784 5.808 11.031 1.00 0.00 N ATOM 307 CA VAL A 23 2.676 5.637 9.890 1.00 0.00 C ATOM 308 C VAL A 23 4.018 6.317 10.136 1.00 0.00 C ATOM 309 O VAL A 23 4.106 7.294 10.881 1.00 0.00 O ATOM 310 CB VAL A 23 2.054 6.206 8.601 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.857 5.773 7.384 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.601 5.771 8.474 1.00 0.00 C ATOM 0 H VAL A 23 0.996 6.432 10.860 1.00 0.00 H new ATOM 0 HA VAL A 23 2.831 4.565 9.767 1.00 0.00 H new ATOM 0 HB VAL A 23 2.080 7.294 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.402 6.185 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.880 6.139 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.865 4.685 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.177 6.182 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.548 4.683 8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.036 6.136 9.331 1.00 0.00 H new ATOM 322 N THR A 24 5.065 5.794 9.504 1.00 0.00 N ATOM 323 CA THR A 24 6.404 6.349 9.655 1.00 0.00 C ATOM 324 C THR A 24 7.257 6.067 8.423 1.00 0.00 C ATOM 325 O THR A 24 7.084 5.047 7.757 1.00 0.00 O ATOM 326 CB THR A 24 7.112 5.779 10.898 1.00 0.00 C ATOM 327 OG1 THR A 24 7.106 4.347 10.851 1.00 0.00 O ATOM 328 CG2 THR A 24 6.432 6.252 12.173 1.00 0.00 C ATOM 0 H THR A 24 5.011 4.987 8.883 1.00 0.00 H new ATOM 0 HA THR A 24 6.288 7.426 9.775 1.00 0.00 H new ATOM 0 HB THR A 24 8.141 6.138 10.900 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.559 3.992 11.644 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.950 5.836 13.037 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.464 7.341 12.220 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.394 5.919 12.177 1.00 0.00 H new ATOM 336 N SER A 25 8.179 6.978 8.127 1.00 0.00 N ATOM 337 CA SER A 25 9.058 6.828 6.973 1.00 0.00 C ATOM 338 C SER A 25 10.158 5.810 7.257 1.00 0.00 C ATOM 339 O SER A 25 10.315 5.348 8.387 1.00 0.00 O ATOM 340 CB SER A 25 9.679 8.176 6.600 1.00 0.00 C ATOM 341 OG SER A 25 10.209 8.147 5.286 1.00 0.00 O ATOM 0 H SER A 25 8.337 7.827 8.670 1.00 0.00 H new ATOM 0 HA SER A 25 8.460 6.467 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.926 8.960 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.469 8.425 7.309 1.00 0.00 H new ATOM 0 HG SER A 25 10.013 8.995 4.835 1.00 0.00 H new ATOM 347 N GLN A 26 10.918 5.465 6.222 1.00 0.00 N ATOM 348 CA GLN A 26 12.003 4.501 6.359 1.00 0.00 C ATOM 349 C GLN A 26 13.308 5.199 6.727 1.00 0.00 C ATOM 350 O GLN A 26 14.382 4.803 6.276 1.00 0.00 O ATOM 351 CB GLN A 26 12.181 3.713 5.060 1.00 0.00 C ATOM 352 CG GLN A 26 10.926 2.979 4.616 1.00 0.00 C ATOM 353 CD GLN A 26 10.038 3.826 3.727 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.268 5.024 3.560 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.015 3.207 3.149 1.00 0.00 N ATOM 0 H GLN A 26 10.802 5.839 5.280 1.00 0.00 H new ATOM 0 HA GLN A 26 11.743 3.811 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.491 4.397 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.987 2.991 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.210 2.073 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.362 2.667 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.861 2.212 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.383 3.726 2.539 1.00 0.00 H new ATOM 364 N GLN A 27 13.206 6.239 7.548 1.00 0.00 N ATOM 365 CA GLN A 27 14.378 6.992 7.976 1.00 0.00 C ATOM 366 C GLN A 27 15.286 7.305 6.791 1.00 0.00 C ATOM 367 O GLN A 27 16.509 7.328 6.922 1.00 0.00 O ATOM 368 CB GLN A 27 15.155 6.209 9.036 1.00 0.00 C ATOM 369 CG GLN A 27 14.417 6.079 10.358 1.00 0.00 C ATOM 370 CD GLN A 27 13.481 4.887 10.389 1.00 0.00 C ATOM 371 OE1 GLN A 27 12.355 4.955 9.897 1.00 0.00 O ATOM 372 NE2 GLN A 27 13.944 3.786 10.969 1.00 0.00 N ATOM 0 H GLN A 27 12.323 6.579 7.930 1.00 0.00 H new ATOM 0 HA GLN A 27 14.036 7.933 8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.374 5.213 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.112 6.701 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 27 15.142 5.988 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.846 6.989 10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.884 3.774 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.359 2.952 11.020 1.00 0.00 H new ATOM 381 N GLY A 28 14.678 7.545 5.633 1.00 0.00 N ATOM 382 CA GLY A 28 15.447 7.853 4.441 1.00 0.00 C ATOM 383 C GLY A 28 14.772 8.892 3.568 1.00 0.00 C ATOM 384 O GLY A 28 15.436 9.743 2.978 1.00 0.00 O ATOM 0 H GLY A 28 13.667 7.532 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.434 8.213 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.598 6.941 3.864 1.00 0.00 H new ATOM 388 N SER A 29 13.447 8.821 3.483 1.00 0.00 N ATOM 389 CA SER A 29 12.682 9.760 2.671 1.00 0.00 C ATOM 390 C SER A 29 12.128 10.894 3.528 1.00 0.00 C ATOM 391 O SER A 29 11.574 10.662 4.602 1.00 0.00 O ATOM 392 CB SER A 29 11.536 9.036 1.961 1.00 0.00 C ATOM 393 OG SER A 29 11.211 9.673 0.738 1.00 0.00 O ATOM 0 H SER A 29 12.881 8.123 3.966 1.00 0.00 H new ATOM 0 HA SER A 29 13.352 10.186 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.818 8.000 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.659 9.014 2.608 1.00 0.00 H new ATOM 0 HG SER A 29 10.477 9.191 0.303 1.00 0.00 H new ATOM 399 N SER A 30 12.283 12.122 3.044 1.00 0.00 N ATOM 400 CA SER A 30 11.802 13.294 3.766 1.00 0.00 C ATOM 401 C SER A 30 10.389 13.066 4.294 1.00 0.00 C ATOM 402 O SER A 30 10.049 13.499 5.394 1.00 0.00 O ATOM 403 CB SER A 30 11.827 14.525 2.858 1.00 0.00 C ATOM 404 OG SER A 30 11.873 15.720 3.619 1.00 0.00 O ATOM 0 H SER A 30 12.738 12.331 2.155 1.00 0.00 H new ATOM 0 HA SER A 30 12.465 13.464 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.694 14.477 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.942 14.529 2.222 1.00 0.00 H new ATOM 0 HG SER A 30 11.890 16.492 3.015 1.00 0.00 H new ATOM 410 N GLU A 31 9.571 12.383 3.499 1.00 0.00 N ATOM 411 CA GLU A 31 8.194 12.097 3.885 1.00 0.00 C ATOM 412 C GLU A 31 7.845 10.636 3.617 1.00 0.00 C ATOM 413 O GLU A 31 8.337 10.018 2.673 1.00 0.00 O ATOM 414 CB GLU A 31 7.228 13.011 3.128 1.00 0.00 C ATOM 415 CG GLU A 31 7.469 13.042 1.628 1.00 0.00 C ATOM 416 CD GLU A 31 6.424 13.851 0.885 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.122 14.979 1.327 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.908 13.355 -0.138 1.00 0.00 O ATOM 0 H GLU A 31 9.838 12.018 2.585 1.00 0.00 H new ATOM 0 HA GLU A 31 8.098 12.285 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.206 12.682 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.314 14.023 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.455 13.462 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.474 12.022 1.244 1.00 0.00 H new ATOM 425 N PRO A 32 6.975 10.070 4.466 1.00 0.00 N ATOM 426 CA PRO A 32 6.541 8.676 4.342 1.00 0.00 C ATOM 427 C PRO A 32 5.648 8.453 3.126 1.00 0.00 C ATOM 428 O PRO A 32 4.993 9.378 2.646 1.00 0.00 O ATOM 429 CB PRO A 32 5.756 8.432 5.633 1.00 0.00 C ATOM 430 CG PRO A 32 5.281 9.782 6.048 1.00 0.00 C ATOM 431 CD PRO A 32 6.349 10.748 5.614 1.00 0.00 C ATOM 0 HA PRO A 32 7.383 7.998 4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.920 7.752 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.385 7.981 6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.326 10.020 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.128 9.828 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.928 11.712 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.068 10.936 6.411 1.00 0.00 H new ATOM 439 N VAL A 33 5.626 7.219 2.631 1.00 0.00 N ATOM 440 CA VAL A 33 4.813 6.875 1.471 1.00 0.00 C ATOM 441 C VAL A 33 3.909 5.683 1.769 1.00 0.00 C ATOM 442 O VAL A 33 3.974 5.095 2.848 1.00 0.00 O ATOM 443 CB VAL A 33 5.689 6.547 0.248 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.498 7.765 -0.171 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.602 5.368 0.548 1.00 0.00 C ATOM 0 H VAL A 33 6.162 6.441 3.016 1.00 0.00 H new ATOM 0 HA VAL A 33 4.199 7.747 1.245 1.00 0.00 H new ATOM 0 HB VAL A 33 5.037 6.271 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.111 7.514 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.822 8.580 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.142 8.075 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.214 5.150 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.248 5.614 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.999 4.495 0.796 1.00 0.00 H new ATOM 455 N VAL A 34 3.066 5.332 0.803 1.00 0.00 N ATOM 456 CA VAL A 34 2.149 4.209 0.960 1.00 0.00 C ATOM 457 C VAL A 34 2.882 2.964 1.446 1.00 0.00 C ATOM 458 O VAL A 34 2.397 2.249 2.323 1.00 0.00 O ATOM 459 CB VAL A 34 1.429 3.883 -0.362 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.795 2.502 -0.299 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.384 4.944 -0.675 1.00 0.00 C ATOM 0 H VAL A 34 2.999 5.809 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 34 1.410 4.506 1.704 1.00 0.00 H new ATOM 0 HB VAL A 34 2.165 3.882 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.291 2.290 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.569 1.754 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.070 2.471 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.115 4.698 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.351 4.979 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.869 5.916 -0.766 1.00 0.00 H new ATOM 471 N GLN A 35 4.054 2.712 0.872 1.00 0.00 N ATOM 472 CA GLN A 35 4.855 1.553 1.247 1.00 0.00 C ATOM 473 C GLN A 35 4.867 1.367 2.761 1.00 0.00 C ATOM 474 O GLN A 35 4.599 0.275 3.264 1.00 0.00 O ATOM 475 CB GLN A 35 6.286 1.706 0.729 1.00 0.00 C ATOM 476 CG GLN A 35 6.989 0.380 0.483 1.00 0.00 C ATOM 477 CD GLN A 35 7.049 -0.487 1.724 1.00 0.00 C ATOM 478 OE1 GLN A 35 7.545 -0.063 2.769 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.544 -1.711 1.617 1.00 0.00 N ATOM 0 H GLN A 35 4.470 3.295 0.146 1.00 0.00 H new ATOM 0 HA GLN A 35 4.405 0.670 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.268 2.276 -0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.864 2.286 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.470 -0.161 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.002 0.570 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.143 -2.022 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.558 -2.340 2.420 1.00 0.00 H new ATOM 488 N ASP A 36 5.179 2.438 3.481 1.00 0.00 N ATOM 489 CA ASP A 36 5.225 2.393 4.938 1.00 0.00 C ATOM 490 C ASP A 36 3.850 2.073 5.516 1.00 0.00 C ATOM 491 O ASP A 36 3.723 1.262 6.434 1.00 0.00 O ATOM 492 CB ASP A 36 5.729 3.725 5.495 1.00 0.00 C ATOM 493 CG ASP A 36 7.031 4.165 4.855 1.00 0.00 C ATOM 494 OD1 ASP A 36 6.987 4.703 3.729 1.00 0.00 O ATOM 495 OD2 ASP A 36 8.094 3.972 5.481 1.00 0.00 O ATOM 0 H ASP A 36 5.404 3.348 3.080 1.00 0.00 H new ATOM 0 HA ASP A 36 5.915 1.602 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.971 4.492 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.869 3.635 6.572 1.00 0.00 H new ATOM 500 N LEU A 37 2.822 2.716 4.973 1.00 0.00 N ATOM 501 CA LEU A 37 1.455 2.502 5.434 1.00 0.00 C ATOM 502 C LEU A 37 1.089 1.022 5.384 1.00 0.00 C ATOM 503 O LEU A 37 0.608 0.457 6.366 1.00 0.00 O ATOM 504 CB LEU A 37 0.475 3.310 4.582 1.00 0.00 C ATOM 505 CG LEU A 37 -0.976 2.827 4.587 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.501 2.728 6.011 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.850 3.756 3.757 1.00 0.00 C ATOM 0 H LEU A 37 2.909 3.390 4.213 1.00 0.00 H new ATOM 0 HA LEU A 37 1.390 2.839 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.494 4.344 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.834 3.309 3.553 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.010 1.834 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.535 2.383 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.892 2.022 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.453 3.708 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.879 3.397 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.811 4.762 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.487 3.775 2.729 1.00 0.00 H new ATOM 519 N ALA A 38 1.323 0.399 4.234 1.00 0.00 N ATOM 520 CA ALA A 38 1.022 -1.017 4.057 1.00 0.00 C ATOM 521 C ALA A 38 1.735 -1.865 5.104 1.00 0.00 C ATOM 522 O ALA A 38 1.157 -2.802 5.654 1.00 0.00 O ATOM 523 CB ALA A 38 1.411 -1.468 2.656 1.00 0.00 C ATOM 0 H ALA A 38 1.720 0.852 3.411 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.052 -1.154 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.181 -2.527 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.852 -0.891 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.479 -1.310 2.506 1.00 0.00 H new ATOM 529 N GLN A 39 2.992 -1.530 5.374 1.00 0.00 N ATOM 530 CA GLN A 39 3.784 -2.262 6.356 1.00 0.00 C ATOM 531 C GLN A 39 3.180 -2.131 7.750 1.00 0.00 C ATOM 532 O GLN A 39 2.924 -3.130 8.423 1.00 0.00 O ATOM 533 CB GLN A 39 5.226 -1.753 6.362 1.00 0.00 C ATOM 534 CG GLN A 39 6.133 -2.482 5.384 1.00 0.00 C ATOM 535 CD GLN A 39 7.580 -2.505 5.836 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.483 -2.138 5.083 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.809 -2.937 7.070 1.00 0.00 N ATOM 0 H GLN A 39 3.484 -0.757 4.927 1.00 0.00 H new ATOM 0 HA GLN A 39 3.780 -3.315 6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.228 -0.690 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.634 -1.854 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.779 -3.505 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.069 -2.002 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.031 -3.232 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.763 -2.974 7.428 1.00 0.00 H new ATOM 546 N VAL A 40 2.954 -0.893 8.178 1.00 0.00 N ATOM 547 CA VAL A 40 2.379 -0.631 9.492 1.00 0.00 C ATOM 548 C VAL A 40 1.197 -1.553 9.768 1.00 0.00 C ATOM 549 O VAL A 40 0.996 -2.002 10.896 1.00 0.00 O ATOM 550 CB VAL A 40 1.916 0.832 9.620 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.030 1.006 10.844 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.115 1.766 9.683 1.00 0.00 C ATOM 0 H VAL A 40 3.160 -0.055 7.634 1.00 0.00 H new ATOM 0 HA VAL A 40 3.163 -0.821 10.225 1.00 0.00 H new ATOM 0 HB VAL A 40 1.330 1.088 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.712 2.046 10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.153 0.364 10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.588 0.732 11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.770 2.796 9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.729 1.512 10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.707 1.660 8.774 1.00 0.00 H new ATOM 562 N VAL A 41 0.416 -1.832 8.729 1.00 0.00 N ATOM 563 CA VAL A 41 -0.747 -2.702 8.859 1.00 0.00 C ATOM 564 C VAL A 41 -0.327 -4.147 9.108 1.00 0.00 C ATOM 565 O VAL A 41 -0.686 -4.741 10.124 1.00 0.00 O ATOM 566 CB VAL A 41 -1.633 -2.646 7.600 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.747 -3.679 7.685 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.204 -1.249 7.413 1.00 0.00 C ATOM 0 H VAL A 41 0.568 -1.468 7.788 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.319 -2.341 9.713 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.017 -2.881 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.363 -3.625 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.313 -4.676 7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.364 -3.478 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.827 -1.227 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.806 -0.983 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.388 -0.534 7.304 1.00 0.00 H new ATOM 578 N GLU A 42 0.435 -4.705 8.172 1.00 0.00 N ATOM 579 CA GLU A 42 0.903 -6.081 8.291 1.00 0.00 C ATOM 580 C GLU A 42 1.747 -6.262 9.549 1.00 0.00 C ATOM 581 O GLU A 42 1.892 -7.374 10.057 1.00 0.00 O ATOM 582 CB GLU A 42 1.718 -6.474 7.057 1.00 0.00 C ATOM 583 CG GLU A 42 2.359 -7.847 7.163 1.00 0.00 C ATOM 584 CD GLU A 42 3.370 -8.106 6.062 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.209 -7.217 5.807 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.321 -9.196 5.455 1.00 0.00 O ATOM 0 H GLU A 42 0.741 -4.226 7.325 1.00 0.00 H new ATOM 0 HA GLU A 42 0.030 -6.729 8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.069 -6.452 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.498 -5.730 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.850 -7.941 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.582 -8.610 7.125 1.00 0.00 H new ATOM 593 N GLU A 43 2.301 -5.161 10.047 1.00 0.00 N ATOM 594 CA GLU A 43 3.132 -5.199 11.245 1.00 0.00 C ATOM 595 C GLU A 43 2.284 -5.010 12.500 1.00 0.00 C ATOM 596 O GLU A 43 2.574 -5.585 13.550 1.00 0.00 O ATOM 597 CB GLU A 43 4.211 -4.117 11.178 1.00 0.00 C ATOM 598 CG GLU A 43 5.237 -4.348 10.081 1.00 0.00 C ATOM 599 CD GLU A 43 6.228 -5.441 10.431 1.00 0.00 C ATOM 600 OE1 GLU A 43 7.128 -5.183 11.258 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.105 -6.553 9.877 1.00 0.00 O ATOM 0 H GLU A 43 2.190 -4.232 9.640 1.00 0.00 H new ATOM 0 HA GLU A 43 3.611 -6.177 11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.734 -3.150 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.724 -4.067 12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.722 -4.611 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.777 -3.420 9.892 1.00 0.00 H new ATOM 608 N VAL A 44 1.237 -4.201 12.384 1.00 0.00 N ATOM 609 CA VAL A 44 0.347 -3.936 13.508 1.00 0.00 C ATOM 610 C VAL A 44 -0.856 -4.874 13.490 1.00 0.00 C ATOM 611 O VAL A 44 -1.040 -5.681 14.401 1.00 0.00 O ATOM 612 CB VAL A 44 -0.152 -2.479 13.498 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.218 -2.272 14.564 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.009 -1.517 13.700 1.00 0.00 C ATOM 0 H VAL A 44 0.984 -3.717 11.523 1.00 0.00 H new ATOM 0 HA VAL A 44 0.925 -4.108 14.416 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.600 -2.273 12.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.558 -1.237 14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.061 -2.935 14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.799 -2.495 15.545 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.638 -0.492 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.488 -1.721 14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.734 -1.648 12.897 1.00 0.00 H new ATOM 624 N ILE A 45 -1.670 -4.761 12.446 1.00 0.00 N ATOM 625 CA ILE A 45 -2.854 -5.600 12.308 1.00 0.00 C ATOM 626 C ILE A 45 -2.476 -7.075 12.222 1.00 0.00 C ATOM 627 O ILE A 45 -2.904 -7.885 13.043 1.00 0.00 O ATOM 628 CB ILE A 45 -3.672 -5.219 11.060 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.791 -3.697 10.947 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.051 -5.860 11.114 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.869 -3.245 9.987 1.00 0.00 C ATOM 0 H ILE A 45 -1.532 -4.097 11.684 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.463 -5.434 13.197 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.154 -5.592 10.176 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.997 -3.283 11.934 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.833 -3.289 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.617 -5.581 10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.947 -6.944 11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.578 -5.514 12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.896 -2.156 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.653 -3.630 8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.835 -3.623 10.321 1.00 0.00 H new ATOM 643 N GLY A 46 -1.669 -7.417 11.222 1.00 0.00 N ATOM 644 CA GLY A 46 -1.244 -8.793 11.048 1.00 0.00 C ATOM 645 C GLY A 46 -1.632 -9.353 9.694 1.00 0.00 C ATOM 646 O GLY A 46 -1.484 -10.549 9.443 1.00 0.00 O ATOM 0 H GLY A 46 -1.302 -6.765 10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.162 -8.854 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.685 -9.408 11.832 1.00 0.00 H new ATOM 650 N VAL A 47 -2.130 -8.486 8.818 1.00 0.00 N ATOM 651 CA VAL A 47 -2.541 -8.900 7.482 1.00 0.00 C ATOM 652 C VAL A 47 -1.473 -8.559 6.448 1.00 0.00 C ATOM 653 O VAL A 47 -0.944 -7.448 6.409 1.00 0.00 O ATOM 654 CB VAL A 47 -3.868 -8.235 7.071 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.190 -8.540 5.616 1.00 0.00 C ATOM 656 CG2 VAL A 47 -4.997 -8.692 7.982 1.00 0.00 C ATOM 0 H VAL A 47 -2.258 -7.492 9.010 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.680 -9.981 7.515 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.761 -7.155 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.131 -8.062 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.392 -8.159 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.278 -9.618 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.927 -8.212 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.106 -9.774 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.768 -8.417 9.012 1.00 0.00 H new ATOM 666 N PRO A 48 -1.147 -9.537 5.590 1.00 0.00 N ATOM 667 CA PRO A 48 -0.140 -9.364 4.539 1.00 0.00 C ATOM 668 C PRO A 48 -0.607 -8.419 3.437 1.00 0.00 C ATOM 669 O PRO A 48 -1.802 -8.319 3.160 1.00 0.00 O ATOM 670 CB PRO A 48 0.043 -10.780 3.987 1.00 0.00 C ATOM 671 CG PRO A 48 -1.242 -11.472 4.286 1.00 0.00 C ATOM 672 CD PRO A 48 -1.737 -10.886 5.579 1.00 0.00 C ATOM 0 HA PRO A 48 0.778 -8.919 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.244 -10.764 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.884 -11.285 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.965 -11.316 3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.094 -12.548 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.826 -10.849 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.412 -11.474 6.437 1.00 0.00 H new ATOM 680 N GLN A 49 0.342 -7.730 2.813 1.00 0.00 N ATOM 681 CA GLN A 49 0.025 -6.793 1.742 1.00 0.00 C ATOM 682 C GLN A 49 -0.664 -7.504 0.582 1.00 0.00 C ATOM 683 O GLN A 49 -1.179 -6.864 -0.334 1.00 0.00 O ATOM 684 CB GLN A 49 1.297 -6.101 1.248 1.00 0.00 C ATOM 685 CG GLN A 49 2.138 -5.503 2.365 1.00 0.00 C ATOM 686 CD GLN A 49 3.381 -4.805 1.850 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.589 -4.694 0.641 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.216 -4.330 2.767 1.00 0.00 N ATOM 0 H GLN A 49 1.336 -7.803 3.030 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.657 -6.042 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.901 -6.821 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.023 -5.311 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.534 -4.792 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.430 -6.293 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.004 -4.444 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.069 -3.851 2.480 1.00 0.00 H new ATOM 697 N SER A 50 -0.668 -8.833 0.628 1.00 0.00 N ATOM 698 CA SER A 50 -1.290 -9.632 -0.421 1.00 0.00 C ATOM 699 C SER A 50 -2.751 -9.923 -0.088 1.00 0.00 C ATOM 700 O SER A 50 -3.502 -10.425 -0.925 1.00 0.00 O ATOM 701 CB SER A 50 -0.528 -10.944 -0.612 1.00 0.00 C ATOM 702 OG SER A 50 0.563 -10.776 -1.500 1.00 0.00 O ATOM 0 H SER A 50 -0.248 -9.378 1.380 1.00 0.00 H new ATOM 0 HA SER A 50 -1.253 -9.061 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.165 -11.301 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.203 -11.707 -1.000 1.00 0.00 H new ATOM 0 HG SER A 50 1.035 -11.629 -1.604 1.00 0.00 H new ATOM 708 N PHE A 51 -3.146 -9.604 1.140 1.00 0.00 N ATOM 709 CA PHE A 51 -4.516 -9.832 1.585 1.00 0.00 C ATOM 710 C PHE A 51 -5.204 -8.513 1.922 1.00 0.00 C ATOM 711 O PHE A 51 -6.416 -8.373 1.756 1.00 0.00 O ATOM 712 CB PHE A 51 -4.531 -10.755 2.805 1.00 0.00 C ATOM 713 CG PHE A 51 -4.285 -12.198 2.469 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.116 -12.585 1.833 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.223 -13.167 2.787 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.886 -13.912 1.523 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.998 -14.495 2.479 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.829 -14.868 1.845 1.00 0.00 C ATOM 0 H PHE A 51 -2.537 -9.187 1.844 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.062 -10.309 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.772 -10.421 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.495 -10.666 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.376 -11.841 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.140 -12.881 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.970 -14.201 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.736 -15.241 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.653 -15.905 1.602 1.00 0.00 H new ATOM 728 N GLN A 52 -4.423 -7.549 2.397 1.00 0.00 N ATOM 729 CA GLN A 52 -4.957 -6.241 2.759 1.00 0.00 C ATOM 730 C GLN A 52 -5.054 -5.335 1.536 1.00 0.00 C ATOM 731 O GLN A 52 -4.173 -5.339 0.676 1.00 0.00 O ATOM 732 CB GLN A 52 -4.079 -5.585 3.827 1.00 0.00 C ATOM 733 CG GLN A 52 -2.657 -5.315 3.362 1.00 0.00 C ATOM 734 CD GLN A 52 -2.045 -4.100 4.033 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.631 -3.017 4.035 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.861 -4.275 4.606 1.00 0.00 N ATOM 0 H GLN A 52 -3.418 -7.649 2.540 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.959 -6.385 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.537 -4.645 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.049 -6.228 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.039 -6.189 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.653 -5.169 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.412 -5.191 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.400 -3.494 5.073 1.00 0.00 H new ATOM 745 N LYS A 53 -6.130 -4.559 1.465 1.00 0.00 N ATOM 746 CA LYS A 53 -6.343 -3.647 0.348 1.00 0.00 C ATOM 747 C LYS A 53 -6.640 -2.236 0.847 1.00 0.00 C ATOM 748 O LYS A 53 -7.628 -2.009 1.547 1.00 0.00 O ATOM 749 CB LYS A 53 -7.495 -4.141 -0.529 1.00 0.00 C ATOM 750 CG LYS A 53 -7.957 -3.123 -1.558 1.00 0.00 C ATOM 751 CD LYS A 53 -8.962 -3.725 -2.526 1.00 0.00 C ATOM 752 CE LYS A 53 -10.250 -4.118 -1.819 1.00 0.00 C ATOM 753 NZ LYS A 53 -11.275 -4.624 -2.774 1.00 0.00 N ATOM 0 H LYS A 53 -6.868 -4.544 2.168 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.429 -3.620 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.184 -5.050 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.337 -4.408 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.406 -2.269 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.096 -2.748 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.184 -3.007 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.527 -4.602 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.036 -4.886 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.647 -3.256 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.138 -4.881 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.498 -3.883 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.906 -5.462 -3.268 1.00 0.00 H new ATOM 767 N LEU A 54 -5.780 -1.292 0.482 1.00 0.00 N ATOM 768 CA LEU A 54 -5.950 0.098 0.892 1.00 0.00 C ATOM 769 C LEU A 54 -6.920 0.824 -0.035 1.00 0.00 C ATOM 770 O LEU A 54 -6.849 0.684 -1.256 1.00 0.00 O ATOM 771 CB LEU A 54 -4.600 0.818 0.900 1.00 0.00 C ATOM 772 CG LEU A 54 -3.833 0.789 2.223 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.695 1.332 3.352 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.366 -0.624 2.538 1.00 0.00 C ATOM 0 H LEU A 54 -4.958 -1.463 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.364 0.105 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.970 0.376 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.764 1.859 0.621 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.955 1.427 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.133 1.303 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.979 2.361 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.592 0.721 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.822 -0.625 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.230 -1.284 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.711 -0.977 1.742 1.00 0.00 H new ATOM 786 N ILE A 55 -7.824 1.600 0.553 1.00 0.00 N ATOM 787 CA ILE A 55 -8.806 2.350 -0.220 1.00 0.00 C ATOM 788 C ILE A 55 -9.092 3.704 0.420 1.00 0.00 C ATOM 789 O ILE A 55 -9.558 3.779 1.557 1.00 0.00 O ATOM 790 CB ILE A 55 -10.127 1.572 -0.360 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.848 0.112 -0.724 1.00 0.00 C ATOM 792 CG2 ILE A 55 -11.018 2.223 -1.406 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.023 -0.808 -0.477 1.00 0.00 C ATOM 0 H ILE A 55 -7.897 1.726 1.563 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.377 2.502 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.648 1.596 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.568 0.056 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.993 -0.241 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.948 1.661 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.240 3.248 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.506 2.228 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.753 -1.826 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.290 -0.781 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.874 -0.480 -1.075 1.00 0.00 H new ATOM 805 N PHE A 56 -8.811 4.773 -0.318 1.00 0.00 N ATOM 806 CA PHE A 56 -9.039 6.126 0.177 1.00 0.00 C ATOM 807 C PHE A 56 -9.781 6.966 -0.858 1.00 0.00 C ATOM 808 O PHE A 56 -9.493 6.898 -2.053 1.00 0.00 O ATOM 809 CB PHE A 56 -7.708 6.792 0.532 1.00 0.00 C ATOM 810 CG PHE A 56 -7.861 8.019 1.385 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.550 7.962 2.586 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.316 9.229 0.987 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.693 9.089 3.372 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.455 10.359 1.769 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.144 10.289 2.964 1.00 0.00 C ATOM 0 H PHE A 56 -8.425 4.729 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.655 6.059 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.078 6.072 1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.189 7.061 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.980 7.026 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.776 9.289 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.234 9.032 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.026 11.296 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.253 11.171 3.578 1.00 0.00 H new ATOM 825 N LYS A 57 -10.740 7.758 -0.391 1.00 0.00 N ATOM 826 CA LYS A 57 -11.525 8.613 -1.274 1.00 0.00 C ATOM 827 C LYS A 57 -12.085 7.815 -2.447 1.00 0.00 C ATOM 828 O LYS A 57 -12.244 8.341 -3.548 1.00 0.00 O ATOM 829 CB LYS A 57 -10.668 9.769 -1.792 1.00 0.00 C ATOM 830 CG LYS A 57 -10.670 10.984 -0.880 1.00 0.00 C ATOM 831 CD LYS A 57 -9.509 11.915 -1.189 1.00 0.00 C ATOM 832 CE LYS A 57 -9.324 12.956 -0.096 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.584 14.151 -0.588 1.00 0.00 N ATOM 0 H LYS A 57 -10.993 7.826 0.595 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.360 9.017 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.643 9.422 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.028 10.064 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.610 11.524 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.611 10.660 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.594 11.333 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.685 12.414 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.299 13.263 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.783 12.513 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.478 14.837 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.644 13.862 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.113 14.589 -1.369 1.00 0.00 H new ATOM 847 N GLY A 58 -12.383 6.542 -2.203 1.00 0.00 N ATOM 848 CA GLY A 58 -12.923 5.693 -3.249 1.00 0.00 C ATOM 849 C GLY A 58 -11.866 5.253 -4.242 1.00 0.00 C ATOM 850 O GLY A 58 -12.179 4.904 -5.381 1.00 0.00 O ATOM 0 H GLY A 58 -12.260 6.084 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.382 4.813 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.712 6.229 -3.777 1.00 0.00 H new ATOM 854 N LYS A 59 -10.609 5.270 -3.812 1.00 0.00 N ATOM 855 CA LYS A 59 -9.500 4.870 -4.671 1.00 0.00 C ATOM 856 C LYS A 59 -8.668 3.775 -4.010 1.00 0.00 C ATOM 857 O LYS A 59 -8.186 3.940 -2.889 1.00 0.00 O ATOM 858 CB LYS A 59 -8.614 6.076 -4.990 1.00 0.00 C ATOM 859 CG LYS A 59 -7.155 5.718 -5.208 1.00 0.00 C ATOM 860 CD LYS A 59 -6.396 6.853 -5.875 1.00 0.00 C ATOM 861 CE LYS A 59 -5.253 6.331 -6.732 1.00 0.00 C ATOM 862 NZ LYS A 59 -4.133 5.805 -5.904 1.00 0.00 N ATOM 0 H LYS A 59 -10.332 5.557 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.915 4.477 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.995 6.570 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.685 6.794 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.690 5.482 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.088 4.822 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.079 7.435 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.003 7.526 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.622 5.542 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.885 7.132 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.246 6.271 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.324 5.997 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.046 4.779 -6.049 1.00 0.00 H new ATOM 876 N SER A 60 -8.502 2.659 -4.712 1.00 0.00 N ATOM 877 CA SER A 60 -7.730 1.537 -4.192 1.00 0.00 C ATOM 878 C SER A 60 -6.233 1.823 -4.273 1.00 0.00 C ATOM 879 O SER A 60 -5.643 1.806 -5.354 1.00 0.00 O ATOM 880 CB SER A 60 -8.059 0.261 -4.969 1.00 0.00 C ATOM 881 OG SER A 60 -9.395 0.281 -5.441 1.00 0.00 O ATOM 0 H SER A 60 -8.892 2.508 -5.642 1.00 0.00 H new ATOM 0 HA SER A 60 -7.999 1.397 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.374 0.157 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.910 -0.608 -4.328 1.00 0.00 H new ATOM 0 HG SER A 60 -9.580 -0.545 -5.936 1.00 0.00 H new ATOM 887 N LEU A 61 -5.625 2.087 -3.122 1.00 0.00 N ATOM 888 CA LEU A 61 -4.197 2.377 -3.060 1.00 0.00 C ATOM 889 C LEU A 61 -3.374 1.115 -3.292 1.00 0.00 C ATOM 890 O LEU A 61 -3.431 0.170 -2.505 1.00 0.00 O ATOM 891 CB LEU A 61 -3.839 2.992 -1.706 1.00 0.00 C ATOM 892 CG LEU A 61 -4.883 3.930 -1.098 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.415 4.443 0.255 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.170 5.090 -2.040 1.00 0.00 C ATOM 0 H LEU A 61 -6.099 2.106 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.962 3.091 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.652 2.183 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.905 3.543 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.806 3.370 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.170 5.109 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.260 3.601 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.478 4.987 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.915 5.747 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.252 5.650 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.549 4.705 -2.987 1.00 0.00 H new ATOM 906 N LYS A 62 -2.606 1.106 -4.376 1.00 0.00 N ATOM 907 CA LYS A 62 -1.767 -0.039 -4.711 1.00 0.00 C ATOM 908 C LYS A 62 -0.305 0.377 -4.841 1.00 0.00 C ATOM 909 O LYS A 62 0.600 -0.403 -4.548 1.00 0.00 O ATOM 910 CB LYS A 62 -2.243 -0.682 -6.016 1.00 0.00 C ATOM 911 CG LYS A 62 -2.397 0.305 -7.160 1.00 0.00 C ATOM 912 CD LYS A 62 -3.477 -0.134 -8.134 1.00 0.00 C ATOM 913 CE LYS A 62 -4.835 0.437 -7.755 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.881 1.916 -7.923 1.00 0.00 N ATOM 0 H LYS A 62 -2.547 1.879 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.849 -0.766 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.535 -1.457 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.200 -1.174 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.643 1.289 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.448 0.403 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.213 0.189 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.531 -1.222 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.607 -0.023 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.060 0.182 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.175 2.358 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.938 2.265 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.563 2.160 -8.670 1.00 0.00 H new ATOM 928 N GLU A 63 -0.083 1.612 -5.281 1.00 0.00 N ATOM 929 CA GLU A 63 1.270 2.130 -5.449 1.00 0.00 C ATOM 930 C GLU A 63 1.913 2.419 -4.096 1.00 0.00 C ATOM 931 O GLU A 63 1.398 3.213 -3.308 1.00 0.00 O ATOM 932 CB GLU A 63 1.250 3.403 -6.299 1.00 0.00 C ATOM 933 CG GLU A 63 0.947 3.150 -7.766 1.00 0.00 C ATOM 934 CD GLU A 63 0.905 4.428 -8.581 1.00 0.00 C ATOM 935 OE1 GLU A 63 1.984 5.000 -8.842 1.00 0.00 O ATOM 936 OE2 GLU A 63 -0.206 4.855 -8.959 1.00 0.00 O ATOM 0 H GLU A 63 -0.821 2.271 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 63 1.863 1.370 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.504 4.088 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.217 3.900 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.704 2.484 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.011 2.637 -7.852 1.00 0.00 H new ATOM 943 N MET A 64 3.042 1.769 -3.833 1.00 0.00 N ATOM 944 CA MET A 64 3.756 1.957 -2.575 1.00 0.00 C ATOM 945 C MET A 64 4.758 3.101 -2.685 1.00 0.00 C ATOM 946 O MET A 64 4.933 3.876 -1.745 1.00 0.00 O ATOM 947 CB MET A 64 4.478 0.668 -2.177 1.00 0.00 C ATOM 948 CG MET A 64 3.566 -0.547 -2.120 1.00 0.00 C ATOM 949 SD MET A 64 2.627 -0.639 -0.583 1.00 0.00 S ATOM 950 CE MET A 64 0.950 -0.627 -1.210 1.00 0.00 C ATOM 0 H MET A 64 3.482 1.108 -4.473 1.00 0.00 H new ATOM 0 HA MET A 64 3.026 2.209 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.281 0.476 -2.889 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.944 0.809 -1.202 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.875 -0.518 -2.962 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.165 -1.451 -2.230 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.259 -0.412 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.855 0.139 -1.979 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.715 -1.601 -1.638 1.00 0.00 H new ATOM 960 N GLU A 65 5.414 3.200 -3.837 1.00 0.00 N ATOM 961 CA GLU A 65 6.399 4.250 -4.067 1.00 0.00 C ATOM 962 C GLU A 65 5.731 5.621 -4.117 1.00 0.00 C ATOM 963 O GLU A 65 6.402 6.648 -4.230 1.00 0.00 O ATOM 964 CB GLU A 65 7.157 3.992 -5.371 1.00 0.00 C ATOM 965 CG GLU A 65 8.109 2.810 -5.298 1.00 0.00 C ATOM 966 CD GLU A 65 8.648 2.410 -6.658 1.00 0.00 C ATOM 967 OE1 GLU A 65 7.906 2.543 -7.653 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.812 1.963 -6.726 1.00 0.00 O ATOM 0 H GLU A 65 5.281 2.566 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 65 7.105 4.239 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.438 3.819 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.721 4.886 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.942 3.059 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.593 1.960 -4.851 1.00 0.00 H new ATOM 975 N THR A 66 4.404 5.631 -4.033 1.00 0.00 N ATOM 976 CA THR A 66 3.645 6.874 -4.070 1.00 0.00 C ATOM 977 C THR A 66 3.546 7.499 -2.683 1.00 0.00 C ATOM 978 O THR A 66 3.223 6.836 -1.698 1.00 0.00 O ATOM 979 CB THR A 66 2.224 6.648 -4.621 1.00 0.00 C ATOM 980 OG1 THR A 66 2.292 6.183 -5.974 1.00 0.00 O ATOM 981 CG2 THR A 66 1.410 7.932 -4.562 1.00 0.00 C ATOM 0 H THR A 66 3.833 4.791 -3.939 1.00 0.00 H new ATOM 0 HA THR A 66 4.181 7.552 -4.734 1.00 0.00 H new ATOM 0 HB THR A 66 1.733 5.897 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.395 6.192 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.411 7.748 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.336 8.269 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.900 8.701 -5.160 1.00 0.00 H new ATOM 989 N PRO A 67 3.829 8.808 -2.602 1.00 0.00 N ATOM 990 CA PRO A 67 3.777 9.552 -1.340 1.00 0.00 C ATOM 991 C PRO A 67 2.352 9.729 -0.830 1.00 0.00 C ATOM 992 O PRO A 67 1.462 10.145 -1.574 1.00 0.00 O ATOM 993 CB PRO A 67 4.388 10.908 -1.703 1.00 0.00 C ATOM 994 CG PRO A 67 4.149 11.052 -3.167 1.00 0.00 C ATOM 995 CD PRO A 67 4.221 9.662 -3.736 1.00 0.00 C ATOM 0 HA PRO A 67 4.303 9.033 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.917 11.717 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.453 10.937 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.176 11.503 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.898 11.700 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.546 9.539 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.224 9.424 -4.090 1.00 0.00 H new ATOM 1003 N LEU A 68 2.140 9.412 0.443 1.00 0.00 N ATOM 1004 CA LEU A 68 0.821 9.537 1.054 1.00 0.00 C ATOM 1005 C LEU A 68 0.292 10.961 0.920 1.00 0.00 C ATOM 1006 O LEU A 68 -0.918 11.187 0.930 1.00 0.00 O ATOM 1007 CB LEU A 68 0.881 9.140 2.530 1.00 0.00 C ATOM 1008 CG LEU A 68 1.362 7.718 2.823 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.936 7.628 4.229 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.225 6.723 2.644 1.00 0.00 C ATOM 0 H LEU A 68 2.865 9.066 1.072 1.00 0.00 H new ATOM 0 HA LEU A 68 0.140 8.865 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.539 9.839 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.114 9.261 2.959 1.00 0.00 H new ATOM 0 HG LEU A 68 2.151 7.468 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.273 6.609 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.779 8.313 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.168 7.898 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.585 5.717 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.586 6.970 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.140 6.768 1.618 1.00 0.00 H new ATOM 1022 N SER A 69 1.206 11.917 0.792 1.00 0.00 N ATOM 1023 CA SER A 69 0.831 13.320 0.657 1.00 0.00 C ATOM 1024 C SER A 69 0.167 13.578 -0.692 1.00 0.00 C ATOM 1025 O SER A 69 -0.811 14.320 -0.783 1.00 0.00 O ATOM 1026 CB SER A 69 2.062 14.216 0.812 1.00 0.00 C ATOM 1027 OG SER A 69 1.717 15.584 0.678 1.00 0.00 O ATOM 0 H SER A 69 2.211 11.746 0.779 1.00 0.00 H new ATOM 0 HA SER A 69 0.116 13.557 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.518 14.047 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.806 13.950 0.061 1.00 0.00 H new ATOM 0 HG SER A 69 2.520 16.136 0.783 1.00 0.00 H new ATOM 1033 N ALA A 70 0.706 12.959 -1.737 1.00 0.00 N ATOM 1034 CA ALA A 70 0.165 13.119 -3.081 1.00 0.00 C ATOM 1035 C ALA A 70 -1.294 12.679 -3.142 1.00 0.00 C ATOM 1036 O ALA A 70 -2.126 13.339 -3.766 1.00 0.00 O ATOM 1037 CB ALA A 70 0.998 12.332 -4.082 1.00 0.00 C ATOM 0 H ALA A 70 1.516 12.342 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 70 0.209 14.177 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.583 12.460 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.025 12.696 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.983 11.275 -3.816 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.597 11.562 -2.492 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.957 11.033 -2.472 1.00 0.00 C ATOM 1045 C LEU A 71 -3.884 11.943 -1.673 1.00 0.00 C ATOM 1046 O LEU A 71 -5.105 11.865 -1.797 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.969 9.624 -1.877 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.093 8.589 -2.584 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.786 7.425 -1.655 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.771 8.096 -3.855 1.00 0.00 C ATOM 0 H LEU A 71 -0.920 11.004 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.318 10.990 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.652 9.688 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.997 9.261 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.152 9.065 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.162 6.699 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.259 7.792 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.717 6.949 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.134 7.360 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.727 7.637 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.938 8.937 -4.528 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.293 12.808 -0.853 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.081 13.722 -0.046 1.00 0.00 C ATOM 1064 C GLY A 72 -4.216 13.258 1.391 1.00 0.00 C ATOM 1065 O GLY A 72 -4.787 13.961 2.225 1.00 0.00 O ATOM 0 H GLY A 72 -2.284 12.892 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.618 14.709 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.073 13.827 -0.485 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.691 12.072 1.680 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.757 11.517 3.026 1.00 0.00 C ATOM 1071 C ILE A 73 -2.877 12.305 3.990 1.00 0.00 C ATOM 1072 O ILE A 73 -1.787 12.749 3.628 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.324 10.039 3.046 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.363 9.171 2.331 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.125 9.564 4.478 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.806 7.862 1.818 1.00 0.00 C ATOM 0 H ILE A 73 -3.216 11.478 1.001 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.796 11.588 3.346 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.375 9.947 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.185 8.963 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.780 9.732 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.819 8.518 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.353 10.166 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.060 9.667 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.597 7.299 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.004 8.061 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.415 7.281 2.653 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.356 12.474 5.218 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.612 13.208 6.234 1.00 0.00 C ATOM 1090 C GLN A 74 -2.971 12.717 7.633 1.00 0.00 C ATOM 1091 O GLN A 74 -3.986 12.046 7.824 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.894 14.707 6.119 1.00 0.00 C ATOM 1093 CG GLN A 74 -2.076 15.398 5.040 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.260 16.903 5.042 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -1.617 17.618 5.811 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -3.142 17.393 4.178 1.00 0.00 N ATOM 0 H GLN A 74 -4.256 12.112 5.533 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.549 13.031 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.954 14.854 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.689 15.182 7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.021 15.165 5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.360 15.002 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.653 16.764 3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.308 18.398 4.134 1.00 0.00 H new ATOM 1105 N ASP A 75 -2.134 13.056 8.606 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.363 12.650 9.988 1.00 0.00 C ATOM 1107 C ASP A 75 -3.732 13.120 10.472 1.00 0.00 C ATOM 1108 O ASP A 75 -4.077 14.294 10.344 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.267 13.211 10.895 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.742 13.411 12.321 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.308 12.458 12.897 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.549 14.521 12.861 1.00 0.00 O ATOM 0 H ASP A 75 -1.290 13.611 8.464 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.336 11.561 10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.414 12.533 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.919 14.163 10.494 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.507 12.194 11.028 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.829 12.532 11.521 1.00 0.00 C ATOM 1119 C GLY A 76 -6.929 12.118 10.564 1.00 0.00 C ATOM 1120 O GLY A 76 -8.100 12.435 10.778 1.00 0.00 O ATOM 0 H GLY A 76 -4.243 11.216 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.989 12.048 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.886 13.607 11.691 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.553 11.410 9.504 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.517 10.954 8.509 1.00 0.00 C ATOM 1126 C CYS A 77 -7.943 9.516 8.783 1.00 0.00 C ATOM 1127 O CYS A 77 -7.472 8.889 9.732 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.920 11.063 7.105 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.979 9.609 6.588 1.00 0.00 S ATOM 0 H CYS A 77 -5.588 11.140 9.312 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.398 11.592 8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.726 11.233 6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.269 11.937 7.065 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.227 9.354 5.338 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.838 9.000 7.947 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.330 7.636 8.102 1.00 0.00 C ATOM 1137 C ARG A 78 -9.345 6.908 6.761 1.00 0.00 C ATOM 1138 O ARG A 78 -10.029 7.324 5.825 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.736 7.644 8.706 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.746 7.594 10.225 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.003 8.232 10.795 1.00 0.00 C ATOM 1142 NE ARG A 78 -11.879 8.505 12.224 1.00 0.00 N ATOM 1143 CZ ARG A 78 -12.865 8.995 12.967 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.042 9.262 12.420 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.674 9.217 14.262 1.00 0.00 N ATOM 0 H ARG A 78 -9.237 9.505 7.156 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.656 7.107 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.259 8.542 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.293 6.791 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.680 6.558 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.867 8.109 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.210 9.162 10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.854 7.572 10.625 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.986 8.309 12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.193 9.091 11.426 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.797 9.638 12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.770 9.011 14.687 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.431 9.593 14.832 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.587 5.820 6.675 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.513 5.034 5.449 1.00 0.00 C ATOM 1161 C VAL A 79 -9.203 3.685 5.619 1.00 0.00 C ATOM 1162 O VAL A 79 -9.208 3.112 6.708 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.052 4.800 5.020 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.998 4.070 3.687 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.302 6.121 4.944 1.00 0.00 C ATOM 0 H VAL A 79 -8.015 5.462 7.440 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.024 5.606 4.675 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.567 4.175 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.958 3.913 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.498 3.106 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.499 4.667 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.272 5.937 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.785 6.772 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.311 6.601 5.922 1.00 0.00 H new ATOM 1175 N MET A 80 -9.785 3.184 4.534 1.00 0.00 N ATOM 1176 CA MET A 80 -10.478 1.901 4.563 1.00 0.00 C ATOM 1177 C MET A 80 -9.550 0.773 4.123 1.00 0.00 C ATOM 1178 O MET A 80 -8.759 0.933 3.193 1.00 0.00 O ATOM 1179 CB MET A 80 -11.712 1.943 3.661 1.00 0.00 C ATOM 1180 CG MET A 80 -12.297 0.572 3.366 1.00 0.00 C ATOM 1181 SD MET A 80 -14.077 0.622 3.081 1.00 0.00 S ATOM 1182 CE MET A 80 -14.478 -1.123 3.130 1.00 0.00 C ATOM 0 H MET A 80 -9.791 3.646 3.625 1.00 0.00 H new ATOM 0 HA MET A 80 -10.794 1.709 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.476 2.561 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.448 2.426 2.720 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.804 0.152 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.085 -0.096 4.201 1.00 0.00 H new ATOM 0 HE1 MET A 80 -14.931 -1.419 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.568 -1.701 3.293 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.179 -1.313 3.943 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.652 -0.368 4.796 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.822 -1.523 4.475 1.00 0.00 C ATOM 1194 C LEU A 81 -9.665 -2.791 4.384 1.00 0.00 C ATOM 1195 O LEU A 81 -10.420 -3.114 5.302 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.728 -1.699 5.529 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.753 -2.854 5.298 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.843 -2.556 4.116 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.932 -3.118 6.552 1.00 0.00 C ATOM 0 H LEU A 81 -10.302 -0.518 5.568 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.358 -1.347 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.156 -0.773 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.205 -1.841 6.499 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.329 -3.751 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.156 -3.389 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.446 -2.417 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.274 -1.648 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.244 -3.943 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.366 -2.223 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.598 -3.377 7.375 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.530 -3.507 3.273 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.277 -4.741 3.064 1.00 0.00 C ATOM 1213 C ILE A 82 -9.345 -5.948 3.025 1.00 0.00 C ATOM 1214 O ILE A 82 -8.414 -6.000 2.222 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.091 -4.693 1.757 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.217 -3.663 1.870 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.654 -6.068 1.433 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -13.100 -3.596 0.644 1.00 0.00 C ATOM 0 H ILE A 82 -8.910 -3.254 2.504 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.962 -4.841 3.906 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.429 -4.393 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.832 -3.902 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.782 -2.680 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.227 -6.018 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.835 -6.778 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.304 -6.395 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.876 -2.845 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.498 -3.326 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.564 -4.568 0.476 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.604 -6.917 3.897 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.781 -8.111 3.945 1.00 0.00 C ATOM 1232 C GLY A 83 -9.340 -9.164 4.882 1.00 0.00 C ATOM 1233 O GLY A 83 -10.365 -8.949 5.529 1.00 0.00 O ATOM 0 H GLY A 83 -10.369 -6.897 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.695 -8.530 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.774 -7.842 4.265 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.665 -10.306 4.956 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.100 -11.397 5.820 1.00 0.00 C ATOM 1239 C LYS A 84 -7.933 -11.939 6.640 1.00 0.00 C ATOM 1240 O LYS A 84 -6.957 -12.449 6.089 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.717 -12.522 4.986 1.00 0.00 C ATOM 1242 CG LYS A 84 -11.173 -12.284 4.627 1.00 0.00 C ATOM 1243 CD LYS A 84 -11.548 -12.976 3.328 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.510 -14.490 3.472 1.00 0.00 C ATOM 1245 NZ LYS A 84 -12.238 -15.171 2.365 1.00 0.00 N ATOM 0 H LYS A 84 -7.814 -10.500 4.428 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.853 -11.007 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.140 -12.641 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.636 -13.459 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.811 -12.649 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.356 -11.213 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.547 -12.663 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.862 -12.667 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.474 -14.827 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.952 -14.775 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.189 -16.201 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.233 -14.869 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.801 -14.919 1.456 1.00 0.00 H new