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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.14! C(o=-4.1!,f=-8!) USER MOD Set 3.1: A 5 ASN : amide:sc= -2.26! C(o=-1!,f=-6.4!) USER MOD Set 3.2: A 13 THR OG1 : rot 149:sc= 1.21 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -7.96! C(o=-14!,f=-10!) USER MOD Set 4.2: A 6 GLN : amide:sc= -2.89 K(o=-14,f=-16!) USER MOD Set 4.3: A 61 ASN : amide:sc= -3.6! K(o=-14!,f=-9.7) USER MOD Single : A 1 LEU N :NH3+ 139:sc= 0.0153 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.86! C(o=-1.9!,f=-2.3!) 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= 0 X(o=0,f=-0.44) 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=0.000685 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= -0.399 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -103:sc= -3.54! (180deg=-5.79!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=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 52 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.6! USER MOD Single : A 60 ASN : amide:sc= -3.94! C(o=-3.9!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.157 -15.221 2.113 1.00 0.00 N ATOM 2 CA LEU A 1 -5.799 -14.211 1.132 1.00 0.00 C ATOM 3 C LEU A 1 -4.637 -13.373 1.669 1.00 0.00 C ATOM 4 O LEU A 1 -4.654 -12.949 2.823 1.00 0.00 O ATOM 5 CB LEU A 1 -7.026 -13.383 0.743 1.00 0.00 C ATOM 6 CG LEU A 1 -6.760 -12.169 -0.149 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.556 -12.593 -1.605 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.873 -11.129 -0.006 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.192 -15.303 2.165 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.751 -16.136 1.833 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.784 -14.948 3.045 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.455 -14.681 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.734 -14.036 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.512 -13.039 1.656 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.835 -11.698 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.369 -11.711 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.703 -13.269 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.451 -13.101 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.659 -10.276 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.825 -11.573 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.928 -10.795 1.030 1.00 0.00 H new ATOM 22 N GLU A 2 -3.654 -13.161 0.806 1.00 0.00 N ATOM 23 CA GLU A 2 -2.486 -12.382 1.180 1.00 0.00 C ATOM 24 C GLU A 2 -2.498 -11.030 0.463 1.00 0.00 C ATOM 25 O GLU A 2 -2.944 -10.933 -0.679 1.00 0.00 O ATOM 26 CB GLU A 2 -1.196 -13.149 0.881 1.00 0.00 C ATOM 27 CG GLU A 2 -1.352 -14.634 1.215 1.00 0.00 C ATOM 28 CD GLU A 2 -1.433 -14.850 2.728 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.541 -14.649 3.271 1.00 0.00 O ATOM 30 OE2 GLU A 2 -0.386 -15.211 3.306 1.00 0.00 O ATOM 0 H GLU A 2 -3.643 -13.515 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.522 -12.202 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.936 -13.034 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.375 -12.727 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.252 -15.025 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.509 -15.192 0.809 1.00 0.00 H new ATOM 37 N CYS A 3 -2.002 -10.020 1.163 1.00 0.00 N ATOM 38 CA CYS A 3 -1.950 -8.679 0.608 1.00 0.00 C ATOM 39 C CYS A 3 -0.589 -8.070 0.950 1.00 0.00 C ATOM 40 O CYS A 3 -0.108 -8.206 2.074 1.00 0.00 O ATOM 41 CB CYS A 3 -3.106 -7.812 1.113 1.00 0.00 C ATOM 42 SG CYS A 3 -4.741 -8.634 1.107 1.00 0.00 S ATOM 0 H CYS A 3 -1.633 -10.104 2.110 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.064 -8.727 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.882 -7.488 2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.164 -6.914 0.498 1.00 0.00 H new ATOM 47 N HIS A 4 -0.006 -7.411 -0.041 1.00 0.00 N ATOM 48 CA HIS A 4 1.291 -6.781 0.140 1.00 0.00 C ATOM 49 C HIS A 4 1.191 -5.704 1.223 1.00 0.00 C ATOM 50 O HIS A 4 0.137 -5.097 1.405 1.00 0.00 O ATOM 51 CB HIS A 4 1.822 -6.238 -1.188 1.00 0.00 C ATOM 52 CG HIS A 4 2.543 -7.267 -2.027 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.907 -7.480 -1.943 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.074 -8.138 -2.966 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.234 -8.438 -2.797 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.097 -8.844 -3.431 1.00 0.00 N ATOM 0 H HIS A 4 -0.408 -7.300 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 4 2.015 -7.522 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.989 -5.834 -1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.500 -5.409 -0.985 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.552 -6.984 -1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.045 -8.236 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.227 -8.829 -2.962 1.00 0.00 H new ATOM 65 N ASN A 5 2.303 -5.499 1.913 1.00 0.00 N ATOM 66 CA ASN A 5 2.354 -4.506 2.973 1.00 0.00 C ATOM 67 C ASN A 5 3.644 -3.693 2.842 1.00 0.00 C ATOM 68 O ASN A 5 4.054 -3.017 3.784 1.00 0.00 O ATOM 69 CB ASN A 5 2.352 -5.171 4.351 1.00 0.00 C ATOM 70 CG ASN A 5 3.728 -5.754 4.680 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.727 -5.058 4.743 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.722 -7.068 4.887 1.00 0.00 N ATOM 0 H ASN A 5 3.176 -6.004 1.759 1.00 0.00 H new ATOM 0 HA ASN A 5 1.476 -3.867 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.071 -4.441 5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.602 -5.962 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.590 -7.552 5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.849 -7.591 4.818 1.00 0.00 H new ATOM 79 N GLN A 6 4.247 -3.785 1.666 1.00 0.00 N ATOM 80 CA GLN A 6 5.482 -3.067 1.400 1.00 0.00 C ATOM 81 C GLN A 6 5.245 -1.557 1.478 1.00 0.00 C ATOM 82 O GLN A 6 4.199 -1.066 1.056 1.00 0.00 O ATOM 83 CB GLN A 6 6.063 -3.460 0.040 1.00 0.00 C ATOM 84 CG GLN A 6 5.574 -2.516 -1.059 1.00 0.00 C ATOM 85 CD GLN A 6 5.500 -3.236 -2.408 1.00 0.00 C ATOM 86 OE1 GLN A 6 4.468 -3.293 -3.055 1.00 0.00 O ATOM 87 NE2 GLN A 6 6.651 -3.780 -2.794 1.00 0.00 N ATOM 0 H GLN A 6 3.903 -4.346 0.886 1.00 0.00 H new ATOM 0 HA GLN A 6 6.210 -3.342 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.152 -3.437 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.775 -4.483 -0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.591 -2.125 -0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.246 -1.662 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.479 -3.695 -2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.706 -4.282 -3.680 1.00 0.00 H new ATOM 96 N GLN A 7 6.233 -0.863 2.023 1.00 0.00 N ATOM 97 CA GLN A 7 6.145 0.581 2.162 1.00 0.00 C ATOM 98 C GLN A 7 7.081 1.268 1.166 1.00 0.00 C ATOM 99 O GLN A 7 8.244 0.888 1.037 1.00 0.00 O ATOM 100 CB GLN A 7 6.457 1.013 3.596 1.00 0.00 C ATOM 101 CG GLN A 7 7.425 0.035 4.265 1.00 0.00 C ATOM 102 CD GLN A 7 6.689 -1.211 4.762 1.00 0.00 C ATOM 103 OE1 GLN A 7 5.620 -1.141 5.345 1.00 0.00 O ATOM 104 NE2 GLN A 7 7.320 -2.352 4.498 1.00 0.00 N ATOM 0 H GLN A 7 7.098 -1.273 2.374 1.00 0.00 H new ATOM 0 HA GLN A 7 5.123 0.887 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.890 2.013 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.533 1.068 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.202 -0.255 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.923 0.525 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.213 -2.339 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.911 -3.240 4.788 1.00 0.00 H new ATOM 113 N SER A 8 6.539 2.269 0.487 1.00 0.00 N ATOM 114 CA SER A 8 7.311 3.013 -0.494 1.00 0.00 C ATOM 115 C SER A 8 8.051 2.046 -1.420 1.00 0.00 C ATOM 116 O SER A 8 7.475 1.065 -1.888 1.00 0.00 O ATOM 117 CB SER A 8 8.303 3.958 0.188 1.00 0.00 C ATOM 118 OG SER A 8 7.706 4.667 1.271 1.00 0.00 O ATOM 0 H SER A 8 5.574 2.582 0.597 1.00 0.00 H new ATOM 0 HA SER A 8 6.622 3.617 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.155 3.386 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.688 4.669 -0.543 1.00 0.00 H new ATOM 0 HG SER A 8 8.371 5.258 1.681 1.00 0.00 H new ATOM 124 N SER A 9 9.317 2.356 -1.658 1.00 0.00 N ATOM 125 CA SER A 9 10.142 1.527 -2.520 1.00 0.00 C ATOM 126 C SER A 9 10.806 0.418 -1.701 1.00 0.00 C ATOM 127 O SER A 9 11.673 -0.296 -2.203 1.00 0.00 O ATOM 128 CB SER A 9 11.202 2.363 -3.239 1.00 0.00 C ATOM 129 OG SER A 9 10.670 3.589 -3.734 1.00 0.00 O ATOM 0 H SER A 9 9.792 3.170 -1.269 1.00 0.00 H new ATOM 0 HA SER A 9 9.500 1.076 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.023 2.574 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.617 1.788 -4.066 1.00 0.00 H new ATOM 0 HG SER A 9 11.378 4.095 -4.185 1.00 0.00 H new ATOM 135 N GLN A 10 10.374 0.309 -0.453 1.00 0.00 N ATOM 136 CA GLN A 10 10.916 -0.700 0.441 1.00 0.00 C ATOM 137 C GLN A 10 10.695 -2.098 -0.141 1.00 0.00 C ATOM 138 O GLN A 10 9.974 -2.258 -1.124 1.00 0.00 O ATOM 139 CB GLN A 10 10.301 -0.584 1.837 1.00 0.00 C ATOM 140 CG GLN A 10 10.412 0.847 2.367 1.00 0.00 C ATOM 141 CD GLN A 10 11.708 1.041 3.156 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.804 0.978 2.624 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.523 1.280 4.451 1.00 0.00 N ATOM 0 H GLN A 10 9.655 0.903 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 10 11.989 -0.533 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.253 -0.883 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.806 -1.268 2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.380 1.550 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.557 1.069 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.578 1.320 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.326 1.424 5.063 1.00 0.00 H new ATOM 152 N PRO A 11 11.329 -3.074 0.492 1.00 0.00 N ATOM 153 CA PRO A 11 11.262 -4.486 0.111 1.00 0.00 C ATOM 154 C PRO A 11 9.810 -4.968 0.152 1.00 0.00 C ATOM 155 O PRO A 11 9.124 -4.793 1.158 1.00 0.00 O ATOM 156 CB PRO A 11 12.075 -5.194 1.196 1.00 0.00 C ATOM 157 CG PRO A 11 13.008 -4.129 1.696 1.00 0.00 C ATOM 158 CD PRO A 11 12.186 -2.872 1.663 1.00 0.00 C ATOM 0 HA PRO A 11 11.637 -4.674 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.435 -5.572 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.621 -6.048 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.359 -4.349 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.891 -4.044 1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.602 -2.747 2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.809 -1.984 1.559 1.00 0.00 H new ATOM 166 N PRO A 12 9.385 -5.563 -0.953 1.00 0.00 N ATOM 167 CA PRO A 12 8.035 -6.099 -1.135 1.00 0.00 C ATOM 168 C PRO A 12 7.749 -7.160 -0.069 1.00 0.00 C ATOM 169 O PRO A 12 8.506 -8.118 0.075 1.00 0.00 O ATOM 170 CB PRO A 12 8.087 -6.752 -2.517 1.00 0.00 C ATOM 171 CG PRO A 12 9.190 -6.015 -3.220 1.00 0.00 C ATOM 172 CD PRO A 12 10.211 -5.765 -2.146 1.00 0.00 C ATOM 0 HA PRO A 12 7.259 -5.338 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.300 -7.819 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.138 -6.650 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.607 -6.606 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.832 -5.081 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.890 -6.609 -2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.824 -4.891 -2.366 1.00 0.00 H new ATOM 180 N THR A 13 6.655 -6.953 0.649 1.00 0.00 N ATOM 181 CA THR A 13 6.261 -7.879 1.697 1.00 0.00 C ATOM 182 C THR A 13 4.785 -8.252 1.552 1.00 0.00 C ATOM 183 O THR A 13 4.082 -7.702 0.705 1.00 0.00 O ATOM 184 CB THR A 13 6.596 -7.239 3.045 1.00 0.00 C ATOM 185 OG1 THR A 13 6.285 -5.860 2.862 1.00 0.00 O ATOM 186 CG2 THR A 13 8.098 -7.246 3.340 1.00 0.00 C ATOM 0 H THR A 13 6.029 -6.157 0.526 1.00 0.00 H new ATOM 0 HA THR A 13 6.810 -8.818 1.622 1.00 0.00 H new ATOM 0 HB THR A 13 6.068 -7.768 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.987 -5.476 3.713 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.281 -6.780 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.461 -8.274 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.624 -6.689 2.564 1.00 0.00 H new ATOM 194 N THR A 14 4.358 -9.185 2.390 1.00 0.00 N ATOM 195 CA THR A 14 2.977 -9.638 2.366 1.00 0.00 C ATOM 196 C THR A 14 2.487 -9.932 3.785 1.00 0.00 C ATOM 197 O THR A 14 3.289 -10.192 4.681 1.00 0.00 O ATOM 198 CB THR A 14 2.893 -10.847 1.431 1.00 0.00 C ATOM 199 OG1 THR A 14 4.098 -11.565 1.683 1.00 0.00 O ATOM 200 CG2 THR A 14 2.994 -10.454 -0.044 1.00 0.00 C ATOM 0 H THR A 14 4.944 -9.640 3.090 1.00 0.00 H new ATOM 0 HA THR A 14 2.313 -8.864 1.981 1.00 0.00 H new ATOM 0 HB THR A 14 1.955 -11.374 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.125 -12.366 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.929 -11.348 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.178 -9.777 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.947 -9.957 -0.224 1.00 0.00 H new ATOM 208 N LYS A 15 1.173 -9.880 3.946 1.00 0.00 N ATOM 209 CA LYS A 15 0.567 -10.138 5.241 1.00 0.00 C ATOM 210 C LYS A 15 -0.776 -10.843 5.039 1.00 0.00 C ATOM 211 O LYS A 15 -1.452 -10.623 4.036 1.00 0.00 O ATOM 212 CB LYS A 15 0.466 -8.844 6.052 1.00 0.00 C ATOM 213 CG LYS A 15 -0.590 -7.907 5.461 1.00 0.00 C ATOM 214 CD LYS A 15 -1.044 -6.873 6.493 1.00 0.00 C ATOM 215 CE LYS A 15 -0.036 -5.728 6.602 1.00 0.00 C ATOM 216 NZ LYS A 15 -0.466 -4.754 7.630 1.00 0.00 N ATOM 0 H LYS A 15 0.511 -9.663 3.201 1.00 0.00 H new ATOM 0 HA LYS A 15 1.194 -10.808 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.212 -9.078 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.434 -8.343 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.182 -7.399 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.448 -8.488 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.020 -6.477 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.162 -7.352 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.947 -6.124 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.062 -5.229 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.230 -3.983 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.394 -4.363 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.536 -5.230 8.552 1.00 0.00 H new ATOM 230 N THR A 16 -1.121 -11.677 6.009 1.00 0.00 N ATOM 231 CA THR A 16 -2.371 -12.416 5.951 1.00 0.00 C ATOM 232 C THR A 16 -3.545 -11.508 6.322 1.00 0.00 C ATOM 233 O THR A 16 -3.480 -10.775 7.307 1.00 0.00 O ATOM 234 CB THR A 16 -2.239 -13.641 6.858 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.921 -14.120 6.605 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.145 -14.794 6.422 1.00 0.00 C ATOM 0 H THR A 16 -0.557 -11.857 6.839 1.00 0.00 H new ATOM 0 HA THR A 16 -2.578 -12.764 4.939 1.00 0.00 H new ATOM 0 HB THR A 16 -2.478 -13.360 7.884 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.750 -14.914 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.012 -15.638 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.185 -14.469 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.884 -15.098 5.408 1.00 0.00 H new ATOM 244 N CYS A 17 -4.592 -11.588 5.513 1.00 0.00 N ATOM 245 CA CYS A 17 -5.779 -10.783 5.745 1.00 0.00 C ATOM 246 C CYS A 17 -6.699 -11.546 6.700 1.00 0.00 C ATOM 247 O CYS A 17 -7.107 -12.669 6.409 1.00 0.00 O ATOM 248 CB CYS A 17 -6.485 -10.427 4.435 1.00 0.00 C ATOM 249 SG CYS A 17 -5.367 -10.015 3.047 1.00 0.00 S ATOM 0 H CYS A 17 -4.643 -12.198 4.697 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.494 -9.833 6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.115 -11.266 4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.146 -9.579 4.614 1.00 0.00 H new ATOM 254 N SER A 18 -6.998 -10.906 7.821 1.00 0.00 N ATOM 255 CA SER A 18 -7.861 -11.510 8.821 1.00 0.00 C ATOM 256 C SER A 18 -9.259 -10.893 8.746 1.00 0.00 C ATOM 257 O SER A 18 -9.429 -9.699 8.989 1.00 0.00 O ATOM 258 CB SER A 18 -7.280 -11.340 10.226 1.00 0.00 C ATOM 259 OG SER A 18 -8.055 -12.019 11.210 1.00 0.00 O ATOM 0 H SER A 18 -6.657 -9.974 8.059 1.00 0.00 H new ATOM 0 HA SER A 18 -7.930 -12.578 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.258 -11.719 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.231 -10.279 10.472 1.00 0.00 H new ATOM 0 HG SER A 18 -7.650 -11.888 12.093 1.00 0.00 H new ATOM 265 N GLY A 19 -10.226 -11.735 8.410 1.00 0.00 N ATOM 266 CA GLY A 19 -11.604 -11.287 8.301 1.00 0.00 C ATOM 267 C GLY A 19 -11.829 -10.520 6.996 1.00 0.00 C ATOM 268 O GLY A 19 -12.966 -10.214 6.641 1.00 0.00 O ATOM 0 H GLY A 19 -10.082 -12.725 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.274 -12.146 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.851 -10.649 9.149 1.00 0.00 H new ATOM 272 N GLU A 20 -10.728 -10.231 6.319 1.00 0.00 N ATOM 273 CA GLU A 20 -10.791 -9.505 5.062 1.00 0.00 C ATOM 274 C GLU A 20 -10.585 -10.462 3.886 1.00 0.00 C ATOM 275 O GLU A 20 -10.006 -11.535 4.048 1.00 0.00 O ATOM 276 CB GLU A 20 -9.765 -8.370 5.032 1.00 0.00 C ATOM 277 CG GLU A 20 -9.674 -7.677 6.393 1.00 0.00 C ATOM 278 CD GLU A 20 -8.621 -6.567 6.374 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.443 -6.907 6.134 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.019 -5.404 6.599 1.00 0.00 O ATOM 0 H GLU A 20 -9.787 -10.486 6.617 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.781 -9.058 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.788 -8.766 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.043 -7.644 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.645 -7.258 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.423 -8.408 7.161 1.00 0.00 H new ATOM 287 N THR A 21 -11.070 -10.038 2.728 1.00 0.00 N ATOM 288 CA THR A 21 -10.946 -10.844 1.525 1.00 0.00 C ATOM 289 C THR A 21 -10.536 -9.970 0.338 1.00 0.00 C ATOM 290 O THR A 21 -10.651 -10.388 -0.813 1.00 0.00 O ATOM 291 CB THR A 21 -12.270 -11.579 1.310 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.263 -10.604 1.617 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.502 -12.683 2.344 1.00 0.00 C ATOM 0 H THR A 21 -11.549 -9.147 2.597 1.00 0.00 H new ATOM 0 HA THR A 21 -10.157 -11.589 1.627 1.00 0.00 H new ATOM 0 HB THR A 21 -12.287 -12.009 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.154 -10.997 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.455 -13.173 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.698 -13.416 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.518 -12.248 3.343 1.00 0.00 H new ATOM 301 N ASN A 22 -10.067 -8.774 0.659 1.00 0.00 N ATOM 302 CA ASN A 22 -9.639 -7.838 -0.367 1.00 0.00 C ATOM 303 C ASN A 22 -8.300 -7.219 0.039 1.00 0.00 C ATOM 304 O ASN A 22 -7.973 -7.160 1.224 1.00 0.00 O ATOM 305 CB ASN A 22 -10.652 -6.703 -0.534 1.00 0.00 C ATOM 306 CG ASN A 22 -12.022 -7.248 -0.945 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.365 -7.320 -2.114 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.783 -7.625 0.078 1.00 0.00 N ATOM 0 H ASN A 22 -9.974 -8.431 1.615 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.551 -8.385 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.742 -6.150 0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.295 -6.000 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.716 -8.002 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.434 -7.538 1.033 1.00 0.00 H new ATOM 315 N CYS A 23 -7.561 -6.774 -0.966 1.00 0.00 N ATOM 316 CA CYS A 23 -6.265 -6.162 -0.729 1.00 0.00 C ATOM 317 C CYS A 23 -6.321 -4.712 -1.214 1.00 0.00 C ATOM 318 O CYS A 23 -6.891 -4.428 -2.266 1.00 0.00 O ATOM 319 CB CYS A 23 -5.137 -6.946 -1.404 1.00 0.00 C ATOM 320 SG CYS A 23 -5.068 -8.722 -0.967 1.00 0.00 S ATOM 0 H CYS A 23 -7.835 -6.825 -1.947 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.043 -6.178 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.247 -6.856 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.185 -6.484 -1.141 1.00 0.00 H new ATOM 325 N TYR A 24 -5.724 -3.834 -0.422 1.00 0.00 N ATOM 326 CA TYR A 24 -5.699 -2.420 -0.758 1.00 0.00 C ATOM 327 C TYR A 24 -4.264 -1.928 -0.953 1.00 0.00 C ATOM 328 O TYR A 24 -3.337 -2.443 -0.331 1.00 0.00 O ATOM 329 CB TYR A 24 -6.317 -1.692 0.438 1.00 0.00 C ATOM 330 CG TYR A 24 -5.357 -1.502 1.614 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.514 -0.410 1.647 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.335 -2.422 2.643 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.610 -0.231 2.753 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.431 -2.242 3.750 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.613 -1.156 3.750 1.00 0.00 C ATOM 336 OH TYR A 24 -2.760 -0.986 4.796 1.00 0.00 O ATOM 0 H TYR A 24 -5.254 -4.074 0.451 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.241 -2.236 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.673 -0.715 0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.188 -2.251 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.532 0.311 0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.995 -3.276 2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.944 0.619 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.404 -2.954 4.562 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.153 -1.375 5.605 1.00 0.00 H new ATOM 346 N LYS A 25 -4.126 -0.935 -1.820 1.00 0.00 N ATOM 347 CA LYS A 25 -2.819 -0.368 -2.106 1.00 0.00 C ATOM 348 C LYS A 25 -2.920 1.159 -2.106 1.00 0.00 C ATOM 349 O LYS A 25 -3.641 1.737 -2.918 1.00 0.00 O ATOM 350 CB LYS A 25 -2.255 -0.947 -3.405 1.00 0.00 C ATOM 351 CG LYS A 25 -1.019 -0.169 -3.861 1.00 0.00 C ATOM 352 CD LYS A 25 -0.711 -0.445 -5.334 1.00 0.00 C ATOM 353 CE LYS A 25 -1.741 0.226 -6.245 1.00 0.00 C ATOM 354 NZ LYS A 25 -1.866 -0.515 -7.520 1.00 0.00 N ATOM 0 H LYS A 25 -4.898 -0.509 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.107 -0.642 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.995 -1.995 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.017 -0.914 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.182 0.899 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.162 -0.448 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.287 -0.078 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.708 -1.520 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.708 0.265 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.444 1.256 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.569 -0.046 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.946 -0.530 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.171 -1.490 -7.326 1.00 0.00 H new ATOM 368 N LYS A 26 -2.187 1.769 -1.186 1.00 0.00 N ATOM 369 CA LYS A 26 -2.185 3.217 -1.070 1.00 0.00 C ATOM 370 C LYS A 26 -0.837 3.761 -1.546 1.00 0.00 C ATOM 371 O LYS A 26 0.204 3.153 -1.299 1.00 0.00 O ATOM 372 CB LYS A 26 -2.552 3.641 0.353 1.00 0.00 C ATOM 373 CG LYS A 26 -2.947 5.119 0.401 1.00 0.00 C ATOM 374 CD LYS A 26 -3.192 5.575 1.841 1.00 0.00 C ATOM 375 CE LYS A 26 -3.745 4.430 2.692 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.655 3.522 3.111 1.00 0.00 N ATOM 0 H LYS A 26 -1.590 1.286 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.949 3.652 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.377 3.029 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.706 3.465 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.159 5.724 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.847 5.278 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.260 5.938 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.893 6.409 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.249 4.833 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.491 3.874 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.677 2.661 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.739 3.999 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.781 3.266 4.111 1.00 0.00 H new ATOM 390 N TRP A 27 -0.898 4.900 -2.220 1.00 0.00 N ATOM 391 CA TRP A 27 0.305 5.532 -2.733 1.00 0.00 C ATOM 392 C TRP A 27 -0.010 7.006 -2.996 1.00 0.00 C ATOM 393 O TRP A 27 -1.124 7.345 -3.394 1.00 0.00 O ATOM 394 CB TRP A 27 0.823 4.801 -3.973 1.00 0.00 C ATOM 395 CG TRP A 27 -0.034 5.012 -5.223 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.148 5.902 -6.208 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.223 4.277 -5.583 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.833 5.795 -7.173 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.693 4.776 -6.781 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.880 3.227 -4.919 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.839 4.286 -7.419 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -3.024 2.748 -5.570 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.510 3.239 -6.776 1.00 0.00 C ATOM 0 H TRP A 27 -1.763 5.402 -2.423 1.00 0.00 H new ATOM 0 HA TRP A 27 1.112 5.473 -2.003 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.839 5.135 -4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.876 3.734 -3.757 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.960 6.613 -6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.912 6.360 -8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.530 2.822 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.187 4.694 -8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.567 1.940 -5.102 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.401 2.815 -7.215 1.00 0.00 H new ATOM 414 N TRP A 28 0.990 7.843 -2.763 1.00 0.00 N ATOM 415 CA TRP A 28 0.833 9.273 -2.969 1.00 0.00 C ATOM 416 C TRP A 28 2.228 9.890 -3.082 1.00 0.00 C ATOM 417 O TRP A 28 3.229 9.221 -2.832 1.00 0.00 O ATOM 418 CB TRP A 28 -0.009 9.898 -1.856 1.00 0.00 C ATOM 419 CG TRP A 28 0.644 9.840 -0.474 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.349 10.796 0.147 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.624 8.723 0.440 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.783 10.379 1.389 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.328 9.078 1.573 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.031 7.455 0.314 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.505 8.221 2.665 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.217 6.610 1.415 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.923 6.952 2.562 1.00 0.00 C ATOM 0 H TRP A 28 1.912 7.558 -2.433 1.00 0.00 H new ATOM 0 HA TRP A 28 0.288 9.472 -3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.210 10.939 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.972 9.389 -1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.552 11.770 -0.272 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.336 10.925 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.524 7.156 -0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.061 8.523 3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.219 5.623 1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.022 6.242 3.370 1.00 0.00 H new ATOM 438 N SER A 29 2.250 11.160 -3.460 1.00 0.00 N ATOM 439 CA SER A 29 3.506 11.875 -3.609 1.00 0.00 C ATOM 440 C SER A 29 3.704 12.835 -2.434 1.00 0.00 C ATOM 441 O SER A 29 2.734 13.299 -1.837 1.00 0.00 O ATOM 442 CB SER A 29 3.550 12.640 -4.933 1.00 0.00 C ATOM 443 OG SER A 29 4.886 12.866 -5.375 1.00 0.00 O ATOM 0 H SER A 29 1.418 11.712 -3.668 1.00 0.00 H new ATOM 0 HA SER A 29 4.316 11.146 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.006 12.080 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.040 13.596 -4.816 1.00 0.00 H new ATOM 0 HG SER A 29 4.871 13.355 -6.224 1.00 0.00 H new ATOM 449 N ASP A 30 4.967 13.104 -2.138 1.00 0.00 N ATOM 450 CA ASP A 30 5.305 14.001 -1.045 1.00 0.00 C ATOM 451 C ASP A 30 6.575 14.776 -1.401 1.00 0.00 C ATOM 452 O ASP A 30 7.272 14.429 -2.354 1.00 0.00 O ATOM 453 CB ASP A 30 5.572 13.222 0.244 1.00 0.00 C ATOM 454 CG ASP A 30 4.407 12.358 0.731 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.880 11.592 -0.105 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.069 12.483 1.928 1.00 0.00 O ATOM 0 H ASP A 30 5.769 12.717 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 30 4.463 14.676 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.440 12.581 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.833 13.930 1.031 1.00 0.00 H new ATOM 461 N HIS A 31 6.838 15.811 -0.617 1.00 0.00 N ATOM 462 CA HIS A 31 8.013 16.637 -0.837 1.00 0.00 C ATOM 463 C HIS A 31 9.275 15.824 -0.544 1.00 0.00 C ATOM 464 O HIS A 31 10.384 16.263 -0.846 1.00 0.00 O ATOM 465 CB HIS A 31 7.932 17.925 -0.015 1.00 0.00 C ATOM 466 CG HIS A 31 6.666 18.717 -0.235 1.00 0.00 C ATOM 467 ND1 HIS A 31 6.429 19.448 -1.386 1.00 0.00 N ATOM 468 CD2 HIS A 31 5.569 18.883 0.559 1.00 0.00 C ATOM 469 CE1 HIS A 31 5.242 20.025 -1.279 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.710 19.674 -0.072 1.00 0.00 N ATOM 0 H HIS A 31 6.257 16.097 0.172 1.00 0.00 H new ATOM 0 HA HIS A 31 8.056 16.944 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.012 17.674 1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.788 18.554 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.424 18.445 1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.777 20.661 -2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.802 19.971 0.286 1.00 0.00 H new ATOM 479 N ARG A 32 9.064 14.654 0.041 1.00 0.00 N ATOM 480 CA ARG A 32 10.171 13.776 0.378 1.00 0.00 C ATOM 481 C ARG A 32 10.275 12.638 -0.640 1.00 0.00 C ATOM 482 O ARG A 32 11.361 12.110 -0.877 1.00 0.00 O ATOM 483 CB ARG A 32 9.998 13.184 1.778 1.00 0.00 C ATOM 484 CG ARG A 32 10.230 14.246 2.855 1.00 0.00 C ATOM 485 CD ARG A 32 8.943 15.022 3.144 1.00 0.00 C ATOM 486 NE ARG A 32 9.261 16.284 3.849 1.00 0.00 N ATOM 487 CZ ARG A 32 8.423 17.326 3.941 1.00 0.00 C ATOM 488 NH1 ARG A 32 7.211 17.262 3.373 1.00 0.00 N ATOM 489 NH2 ARG A 32 8.797 18.431 4.600 1.00 0.00 N ATOM 0 H ARG A 32 8.143 14.294 0.290 1.00 0.00 H new ATOM 0 HA ARG A 32 11.084 14.371 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.995 12.770 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.698 12.360 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.586 13.771 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.009 14.935 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.422 15.238 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.271 14.415 3.752 1.00 0.00 H new ATOM 0 HE ARG A 32 10.176 16.366 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.927 16.421 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.573 18.055 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.720 18.479 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.159 19.224 4.670 1.00 0.00 H new ATOM 503 N GLY A 33 9.132 12.294 -1.214 1.00 0.00 N ATOM 504 CA GLY A 33 9.081 11.229 -2.201 1.00 0.00 C ATOM 505 C GLY A 33 7.687 10.601 -2.258 1.00 0.00 C ATOM 506 O GLY A 33 6.763 11.069 -1.594 1.00 0.00 O ATOM 0 H GLY A 33 8.234 12.734 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.346 11.624 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.818 10.465 -1.955 1.00 0.00 H new ATOM 510 N THR A 34 7.578 9.550 -3.058 1.00 0.00 N ATOM 511 CA THR A 34 6.312 8.854 -3.211 1.00 0.00 C ATOM 512 C THR A 34 6.135 7.819 -2.097 1.00 0.00 C ATOM 513 O THR A 34 6.908 6.867 -2.001 1.00 0.00 O ATOM 514 CB THR A 34 6.272 8.247 -4.615 1.00 0.00 C ATOM 515 OG1 THR A 34 5.958 9.351 -5.460 1.00 0.00 O ATOM 516 CG2 THR A 34 5.097 7.286 -4.804 1.00 0.00 C ATOM 0 H THR A 34 8.346 9.164 -3.607 1.00 0.00 H new ATOM 0 HA THR A 34 5.470 9.539 -3.113 1.00 0.00 H new ATOM 0 HB THR A 34 7.206 7.720 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.914 9.048 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.115 6.884 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.177 6.469 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.161 7.820 -4.643 1.00 0.00 H new ATOM 524 N ILE A 35 5.113 8.042 -1.284 1.00 0.00 N ATOM 525 CA ILE A 35 4.825 7.141 -0.181 1.00 0.00 C ATOM 526 C ILE A 35 3.818 6.084 -0.641 1.00 0.00 C ATOM 527 O ILE A 35 2.836 6.406 -1.308 1.00 0.00 O ATOM 528 CB ILE A 35 4.371 7.929 1.050 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.436 8.940 1.477 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.984 6.987 2.192 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.120 9.520 2.857 1.00 0.00 C ATOM 0 H ILE A 35 4.474 8.833 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 35 5.727 6.611 0.124 1.00 0.00 H new ATOM 0 HB ILE A 35 3.479 8.495 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.413 8.458 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.493 9.745 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.665 7.572 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.167 6.341 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.844 6.375 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.893 10.236 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.153 10.023 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.088 8.715 3.591 1.00 0.00 H new ATOM 543 N ILE A 36 4.097 4.844 -0.266 1.00 0.00 N ATOM 544 CA ILE A 36 3.228 3.739 -0.631 1.00 0.00 C ATOM 545 C ILE A 36 2.902 2.917 0.618 1.00 0.00 C ATOM 546 O ILE A 36 3.804 2.441 1.305 1.00 0.00 O ATOM 547 CB ILE A 36 3.852 2.918 -1.761 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.492 3.828 -2.812 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.826 1.964 -2.377 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.125 3.007 -3.936 1.00 0.00 C ATOM 0 H ILE A 36 4.913 4.581 0.287 1.00 0.00 H new ATOM 0 HA ILE A 36 2.282 4.112 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 36 4.648 2.305 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.738 4.497 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.251 4.454 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.295 1.392 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.458 1.281 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.992 2.538 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.572 3.678 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.895 2.356 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.359 2.400 -4.419 1.00 0.00 H new ATOM 562 N GLU A 37 1.610 2.776 0.874 1.00 0.00 N ATOM 563 CA GLU A 37 1.154 2.021 2.028 1.00 0.00 C ATOM 564 C GLU A 37 0.131 0.966 1.602 1.00 0.00 C ATOM 565 O GLU A 37 -0.960 1.303 1.143 1.00 0.00 O ATOM 566 CB GLU A 37 0.571 2.949 3.096 1.00 0.00 C ATOM 567 CG GLU A 37 1.654 3.407 4.075 1.00 0.00 C ATOM 568 CD GLU A 37 1.893 2.355 5.159 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.902 1.696 5.539 1.00 0.00 O ATOM 570 OE2 GLU A 37 3.063 2.234 5.584 1.00 0.00 O ATOM 0 H GLU A 37 0.864 3.172 0.302 1.00 0.00 H new ATOM 0 HA GLU A 37 2.012 1.511 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.116 3.817 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.220 2.432 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.582 3.595 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.357 4.349 4.536 1.00 0.00 H new ATOM 577 N ARG A 38 0.520 -0.290 1.768 1.00 0.00 N ATOM 578 CA ARG A 38 -0.350 -1.396 1.406 1.00 0.00 C ATOM 579 C ARG A 38 -0.684 -2.235 2.641 1.00 0.00 C ATOM 580 O ARG A 38 0.016 -2.166 3.650 1.00 0.00 O ATOM 581 CB ARG A 38 0.307 -2.291 0.352 1.00 0.00 C ATOM 582 CG ARG A 38 1.016 -1.453 -0.714 1.00 0.00 C ATOM 583 CD ARG A 38 2.063 -2.284 -1.458 1.00 0.00 C ATOM 584 NE ARG A 38 2.842 -1.418 -2.371 1.00 0.00 N ATOM 585 CZ ARG A 38 2.542 -1.228 -3.663 1.00 0.00 C ATOM 586 NH1 ARG A 38 1.479 -1.841 -4.202 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.305 -0.424 -4.416 1.00 0.00 N ATOM 0 H ARG A 38 1.425 -0.566 2.148 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.266 -0.976 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.024 -2.958 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.449 -2.920 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.284 -1.065 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.495 -0.593 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.730 -2.767 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.574 -3.077 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 38 3.658 -0.936 -1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.898 -2.453 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.251 -1.696 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.114 0.043 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.077 -0.279 -5.400 1.00 0.00 H new ATOM 601 N GLY A 39 -1.753 -3.008 2.520 1.00 0.00 N ATOM 602 CA GLY A 39 -2.188 -3.860 3.614 1.00 0.00 C ATOM 603 C GLY A 39 -3.400 -4.700 3.207 1.00 0.00 C ATOM 604 O GLY A 39 -3.870 -4.609 2.074 1.00 0.00 O ATOM 0 H GLY A 39 -2.331 -3.062 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.371 -4.516 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.440 -3.247 4.479 1.00 0.00 H new ATOM 608 N CYS A 40 -3.872 -5.498 4.154 1.00 0.00 N ATOM 609 CA CYS A 40 -5.021 -6.353 3.908 1.00 0.00 C ATOM 610 C CYS A 40 -6.290 -5.530 4.137 1.00 0.00 C ATOM 611 O CYS A 40 -6.292 -4.595 4.935 1.00 0.00 O ATOM 612 CB CYS A 40 -4.988 -7.609 4.781 1.00 0.00 C ATOM 613 SG CYS A 40 -3.911 -8.950 4.157 1.00 0.00 S ATOM 0 H CYS A 40 -3.480 -5.570 5.093 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.001 -6.707 2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.655 -7.331 5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.003 -7.993 4.878 1.00 0.00 H new ATOM 618 N GLY A 41 -7.340 -5.909 3.423 1.00 0.00 N ATOM 619 CA GLY A 41 -8.613 -5.219 3.539 1.00 0.00 C ATOM 620 C GLY A 41 -8.758 -4.151 2.453 1.00 0.00 C ATOM 621 O GLY A 41 -7.993 -4.131 1.490 1.00 0.00 O ATOM 0 H GLY A 41 -7.335 -6.686 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.429 -5.937 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.691 -4.756 4.523 1.00 0.00 H new ATOM 625 N CYS A 42 -9.745 -3.288 2.644 1.00 0.00 N ATOM 626 CA CYS A 42 -10.001 -2.220 1.693 1.00 0.00 C ATOM 627 C CYS A 42 -10.458 -0.984 2.470 1.00 0.00 C ATOM 628 O CYS A 42 -11.637 -0.634 2.450 1.00 0.00 O ATOM 629 CB CYS A 42 -11.023 -2.638 0.634 1.00 0.00 C ATOM 630 SG CYS A 42 -11.529 -1.305 -0.513 1.00 0.00 S ATOM 0 H CYS A 42 -10.377 -3.307 3.444 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.086 -1.988 1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.607 -3.460 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.911 -3.021 1.137 1.00 0.00 H new ATOM 635 N PRO A 43 -9.500 -0.355 3.136 1.00 0.00 N ATOM 636 CA PRO A 43 -9.712 0.847 3.944 1.00 0.00 C ATOM 637 C PRO A 43 -10.026 2.052 3.055 1.00 0.00 C ATOM 638 O PRO A 43 -10.086 1.926 1.833 1.00 0.00 O ATOM 639 CB PRO A 43 -8.373 1.034 4.660 1.00 0.00 C ATOM 640 CG PRO A 43 -7.380 0.404 3.727 1.00 0.00 C ATOM 641 CD PRO A 43 -8.099 -0.783 3.150 1.00 0.00 C ATOM 0 HA PRO A 43 -10.553 0.755 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.152 2.088 4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.369 0.549 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.074 1.100 2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.476 0.101 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.741 -1.022 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.957 -1.675 3.760 1.00 0.00 H new ATOM 649 N LYS A 44 -10.220 3.191 3.703 1.00 0.00 N ATOM 650 CA LYS A 44 -10.526 4.417 2.985 1.00 0.00 C ATOM 651 C LYS A 44 -9.374 5.408 3.160 1.00 0.00 C ATOM 652 O LYS A 44 -8.798 5.511 4.242 1.00 0.00 O ATOM 653 CB LYS A 44 -11.884 4.969 3.424 1.00 0.00 C ATOM 654 CG LYS A 44 -12.421 5.978 2.407 1.00 0.00 C ATOM 655 CD LYS A 44 -13.591 6.774 2.988 1.00 0.00 C ATOM 656 CE LYS A 44 -13.753 8.115 2.269 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.350 7.916 0.930 1.00 0.00 N ATOM 0 H LYS A 44 -10.171 3.291 4.717 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.617 4.220 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.594 4.150 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.788 5.446 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.624 6.660 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.744 5.455 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.510 6.195 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.426 6.945 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.385 8.778 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.783 8.602 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.453 8.836 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.732 7.301 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.285 7.471 1.029 1.00 0.00 H new ATOM 671 N VAL A 45 -9.071 6.111 2.079 1.00 0.00 N ATOM 672 CA VAL A 45 -7.997 7.089 2.099 1.00 0.00 C ATOM 673 C VAL A 45 -8.585 8.489 1.908 1.00 0.00 C ATOM 674 O VAL A 45 -9.722 8.633 1.463 1.00 0.00 O ATOM 675 CB VAL A 45 -6.945 6.734 1.047 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.439 5.303 1.239 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.493 6.936 -0.367 1.00 0.00 C ATOM 0 H VAL A 45 -9.551 6.023 1.183 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.489 7.078 3.063 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.099 7.409 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.692 5.076 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.991 5.205 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.273 4.607 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.725 6.676 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.364 6.297 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.782 7.979 -0.500 1.00 0.00 H new ATOM 687 N LYS A 46 -7.782 9.485 2.253 1.00 0.00 N ATOM 688 CA LYS A 46 -8.209 10.868 2.125 1.00 0.00 C ATOM 689 C LYS A 46 -7.923 11.356 0.703 1.00 0.00 C ATOM 690 O LYS A 46 -7.246 10.675 -0.066 1.00 0.00 O ATOM 691 CB LYS A 46 -7.564 11.731 3.212 1.00 0.00 C ATOM 692 CG LYS A 46 -7.500 10.979 4.543 1.00 0.00 C ATOM 693 CD LYS A 46 -6.927 11.868 5.648 1.00 0.00 C ATOM 694 CE LYS A 46 -5.766 12.715 5.124 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.029 13.336 6.247 1.00 0.00 N ATOM 0 H LYS A 46 -6.839 9.362 2.621 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.285 10.950 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.559 12.019 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.135 12.651 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.498 10.643 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.883 10.088 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.709 12.519 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.585 11.249 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.090 12.093 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.145 13.490 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.244 13.907 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.673 13.946 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.651 12.592 6.868 1.00 0.00 H new ATOM 709 N PRO A 47 -8.454 12.530 0.396 1.00 0.00 N ATOM 710 CA PRO A 47 -8.311 13.188 -0.904 1.00 0.00 C ATOM 711 C PRO A 47 -6.829 13.417 -1.210 1.00 0.00 C ATOM 712 O PRO A 47 -6.080 13.878 -0.351 1.00 0.00 O ATOM 713 CB PRO A 47 -9.016 14.532 -0.710 1.00 0.00 C ATOM 714 CG PRO A 47 -9.991 14.268 0.400 1.00 0.00 C ATOM 715 CD PRO A 47 -9.260 13.332 1.320 1.00 0.00 C ATOM 0 HA PRO A 47 -8.725 12.604 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.310 15.319 -0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.523 14.853 -1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.272 15.189 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.910 13.819 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.639 13.871 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.947 12.714 1.898 1.00 0.00 H new ATOM 723 N GLY A 48 -6.452 13.083 -2.436 1.00 0.00 N ATOM 724 CA GLY A 48 -5.073 13.247 -2.864 1.00 0.00 C ATOM 725 C GLY A 48 -4.334 11.907 -2.858 1.00 0.00 C ATOM 726 O GLY A 48 -3.483 11.660 -3.711 1.00 0.00 O ATOM 0 H GLY A 48 -7.077 12.700 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.048 13.676 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.565 13.950 -2.204 1.00 0.00 H new ATOM 730 N VAL A 49 -4.687 11.078 -1.887 1.00 0.00 N ATOM 731 CA VAL A 49 -4.068 9.769 -1.759 1.00 0.00 C ATOM 732 C VAL A 49 -4.750 8.791 -2.717 1.00 0.00 C ATOM 733 O VAL A 49 -5.952 8.888 -2.957 1.00 0.00 O ATOM 734 CB VAL A 49 -4.115 9.309 -0.300 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.069 8.225 -0.034 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.934 10.491 0.654 1.00 0.00 C ATOM 0 H VAL A 49 -5.393 11.287 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.015 9.815 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.099 8.878 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.123 7.915 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.263 7.367 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.075 8.619 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.971 10.136 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.970 10.964 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.732 11.216 0.491 1.00 0.00 H new ATOM 746 N ASN A 50 -3.953 7.870 -3.238 1.00 0.00 N ATOM 747 CA ASN A 50 -4.465 6.875 -4.165 1.00 0.00 C ATOM 748 C ASN A 50 -4.711 5.564 -3.414 1.00 0.00 C ATOM 749 O ASN A 50 -3.956 5.212 -2.509 1.00 0.00 O ATOM 750 CB ASN A 50 -3.461 6.597 -5.285 1.00 0.00 C ATOM 751 CG ASN A 50 -3.485 7.712 -6.332 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.337 7.763 -7.204 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.504 8.601 -6.199 1.00 0.00 N ATOM 0 H ASN A 50 -2.956 7.792 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.389 7.260 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.459 6.508 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.694 5.643 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.433 9.383 -6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.823 8.500 -5.447 1.00 0.00 H new ATOM 760 N LEU A 51 -5.769 4.878 -3.818 1.00 0.00 N ATOM 761 CA LEU A 51 -6.124 3.614 -3.195 1.00 0.00 C ATOM 762 C LEU A 51 -6.690 2.668 -4.257 1.00 0.00 C ATOM 763 O LEU A 51 -7.447 3.091 -5.129 1.00 0.00 O ATOM 764 CB LEU A 51 -7.066 3.845 -2.013 1.00 0.00 C ATOM 765 CG LEU A 51 -7.673 2.590 -1.382 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.578 1.631 -0.909 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.641 2.955 -0.256 1.00 0.00 C ATOM 0 H LEU A 51 -6.393 5.173 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.239 3.133 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.521 4.388 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.879 4.491 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.251 2.069 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.036 0.747 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.963 1.333 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.954 2.129 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.058 2.045 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.108 3.511 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.448 3.570 -0.655 1.00 0.00 H new ATOM 779 N ASN A 52 -6.301 1.406 -4.147 1.00 0.00 N ATOM 780 CA ASN A 52 -6.760 0.397 -5.086 1.00 0.00 C ATOM 781 C ASN A 52 -7.091 -0.888 -4.326 1.00 0.00 C ATOM 782 O ASN A 52 -6.229 -1.458 -3.658 1.00 0.00 O ATOM 783 CB ASN A 52 -5.677 0.072 -6.117 1.00 0.00 C ATOM 784 CG ASN A 52 -6.113 -1.081 -7.024 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.728 -2.225 -6.847 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.936 -0.717 -8.004 1.00 0.00 N ATOM 0 H ASN A 52 -5.673 1.059 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.640 0.787 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.467 0.955 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.751 -0.192 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.283 -1.413 -8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.220 0.258 -8.096 1.00 0.00 H new ATOM 793 N CYS A 53 -8.341 -1.307 -4.452 1.00 0.00 N ATOM 794 CA CYS A 53 -8.797 -2.515 -3.785 1.00 0.00 C ATOM 795 C CYS A 53 -9.039 -3.589 -4.847 1.00 0.00 C ATOM 796 O CYS A 53 -9.458 -3.281 -5.962 1.00 0.00 O ATOM 797 CB CYS A 53 -10.045 -2.258 -2.939 1.00 0.00 C ATOM 798 SG CYS A 53 -9.865 -0.936 -1.686 1.00 0.00 S ATOM 0 H CYS A 53 -9.053 -0.831 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.032 -2.859 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.870 -2.000 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.321 -3.183 -2.433 1.00 0.00 H new ATOM 803 N CYS A 54 -8.763 -4.827 -4.465 1.00 0.00 N ATOM 804 CA CYS A 54 -8.946 -5.948 -5.371 1.00 0.00 C ATOM 805 C CYS A 54 -9.194 -7.206 -4.536 1.00 0.00 C ATOM 806 O CYS A 54 -8.918 -7.224 -3.337 1.00 0.00 O ATOM 807 CB CYS A 54 -7.751 -6.115 -6.312 1.00 0.00 C ATOM 808 SG CYS A 54 -6.122 -5.776 -5.552 1.00 0.00 S ATOM 0 H CYS A 54 -8.414 -5.079 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.808 -5.763 -6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.751 -7.134 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.883 -5.450 -7.166 1.00 0.00 H new ATOM 813 N ARG A 55 -9.713 -8.227 -5.202 1.00 0.00 N ATOM 814 CA ARG A 55 -10.002 -9.485 -4.536 1.00 0.00 C ATOM 815 C ARG A 55 -9.065 -10.583 -5.045 1.00 0.00 C ATOM 816 O ARG A 55 -9.508 -11.689 -5.349 1.00 0.00 O ATOM 817 CB ARG A 55 -11.452 -9.913 -4.771 1.00 0.00 C ATOM 818 CG ARG A 55 -12.427 -8.891 -4.183 1.00 0.00 C ATOM 819 CD ARG A 55 -13.726 -8.844 -4.990 1.00 0.00 C ATOM 820 NE ARG A 55 -13.461 -8.309 -6.344 1.00 0.00 N ATOM 821 CZ ARG A 55 -14.260 -8.511 -7.401 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.378 -9.237 -7.267 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.940 -7.987 -8.592 1.00 0.00 N ATOM 0 H ARG A 55 -9.941 -8.208 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.848 -9.337 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.634 -10.022 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.625 -10.889 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.648 -9.148 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.964 -7.904 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.155 -9.843 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.459 -8.219 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.618 -7.752 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.621 -9.636 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.986 -9.391 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.089 -7.435 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.548 -8.141 -9.397 1.00 0.00 H new ATOM 837 N THR A 56 -7.788 -10.238 -5.121 1.00 0.00 N ATOM 838 CA THR A 56 -6.785 -11.180 -5.588 1.00 0.00 C ATOM 839 C THR A 56 -5.576 -11.180 -4.651 1.00 0.00 C ATOM 840 O THR A 56 -5.200 -10.137 -4.117 1.00 0.00 O ATOM 841 CB THR A 56 -6.434 -10.819 -7.033 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.531 -9.398 -7.069 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.496 -11.290 -8.029 1.00 0.00 C ATOM 0 H THR A 56 -7.425 -9.319 -4.867 1.00 0.00 H new ATOM 0 HA THR A 56 -7.166 -12.201 -5.576 1.00 0.00 H new ATOM 0 HB THR A 56 -5.472 -11.259 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.317 -9.078 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.198 -11.009 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.596 -12.374 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.452 -10.824 -7.790 1.00 0.00 H new ATOM 851 N ASP A 57 -5.001 -12.361 -4.480 1.00 0.00 N ATOM 852 CA ASP A 57 -3.842 -12.510 -3.616 1.00 0.00 C ATOM 853 C ASP A 57 -2.694 -11.656 -4.158 1.00 0.00 C ATOM 854 O ASP A 57 -2.485 -11.586 -5.368 1.00 0.00 O ATOM 855 CB ASP A 57 -3.370 -13.965 -3.574 1.00 0.00 C ATOM 856 CG ASP A 57 -4.418 -14.971 -3.094 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.588 -15.067 -1.859 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.024 -15.622 -3.972 1.00 0.00 O ATOM 0 H ASP A 57 -5.316 -13.223 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.127 -12.194 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.042 -14.254 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.500 -14.030 -2.921 1.00 0.00 H new ATOM 863 N ARG A 58 -1.980 -11.028 -3.235 1.00 0.00 N ATOM 864 CA ARG A 58 -0.859 -10.181 -3.605 1.00 0.00 C ATOM 865 C ARG A 58 -1.210 -9.342 -4.836 1.00 0.00 C ATOM 866 O ARG A 58 -0.367 -9.126 -5.705 1.00 0.00 O ATOM 867 CB ARG A 58 0.387 -11.017 -3.905 1.00 0.00 C ATOM 868 CG ARG A 58 0.516 -12.181 -2.921 1.00 0.00 C ATOM 869 CD ARG A 58 1.952 -12.708 -2.881 1.00 0.00 C ATOM 870 NE ARG A 58 2.137 -13.582 -1.701 1.00 0.00 N ATOM 871 CZ ARG A 58 1.775 -14.872 -1.658 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.207 -15.445 -2.727 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.982 -15.589 -0.544 1.00 0.00 N ATOM 0 H ARG A 58 -2.156 -11.089 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.648 -9.524 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.335 -11.401 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.275 -10.387 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.217 -11.855 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.162 -12.984 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.170 -13.263 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.653 -11.874 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 58 2.567 -13.178 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.050 -14.900 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.932 -16.427 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.415 -15.153 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.707 -16.571 -0.511 1.00 0.00 H new ATOM 887 N CYS A 59 -2.456 -8.892 -4.869 1.00 0.00 N ATOM 888 CA CYS A 59 -2.929 -8.082 -5.979 1.00 0.00 C ATOM 889 C CYS A 59 -2.592 -6.619 -5.683 1.00 0.00 C ATOM 890 O CYS A 59 -2.524 -5.798 -6.596 1.00 0.00 O ATOM 891 CB CYS A 59 -4.425 -8.284 -6.229 1.00 0.00 C ATOM 892 SG CYS A 59 -5.520 -7.568 -4.950 1.00 0.00 S ATOM 0 H CYS A 59 -3.152 -9.073 -4.145 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.429 -8.390 -6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.680 -7.845 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.626 -9.353 -6.302 1.00 0.00 H new ATOM 897 N ASN A 60 -2.390 -6.338 -4.404 1.00 0.00 N ATOM 898 CA ASN A 60 -2.062 -4.989 -3.977 1.00 0.00 C ATOM 899 C ASN A 60 -0.542 -4.847 -3.873 1.00 0.00 C ATOM 900 O ASN A 60 -0.031 -4.292 -2.902 1.00 0.00 O ATOM 901 CB ASN A 60 -2.660 -4.686 -2.602 1.00 0.00 C ATOM 902 CG ASN A 60 -2.103 -5.637 -1.540 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.818 -6.795 -1.796 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.966 -5.085 -0.338 1.00 0.00 N ATOM 0 H ASN A 60 -2.447 -7.022 -3.650 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.472 -4.294 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.439 -3.655 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.745 -4.779 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.603 -5.638 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.224 -4.109 -0.193 1.00 0.00 H new ATOM 911 N ASN A 61 0.139 -5.358 -4.889 1.00 0.00 N ATOM 912 CA ASN A 61 1.590 -5.296 -4.924 1.00 0.00 C ATOM 913 C ASN A 61 2.023 -4.027 -5.661 1.00 0.00 C ATOM 914 O ASN A 61 3.124 -3.530 -5.338 1.00 0.00 O ATOM 915 CB ASN A 61 2.175 -6.498 -5.668 1.00 0.00 C ATOM 916 CG ASN A 61 3.704 -6.433 -5.697 1.00 0.00 C ATOM 917 OD1 ASN A 61 4.338 -6.589 -6.727 1.00 0.00 O ATOM 918 ND2 ASN A 61 4.258 -6.196 -4.511 1.00 0.00 N ATOM 919 OXT ASN A 61 1.244 -3.582 -6.532 1.00 0.00 O ATOM 0 H ASN A 61 -0.288 -5.817 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 61 1.953 -5.297 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.856 -7.421 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.789 -6.523 -6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.273 -6.135 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.668 -6.075 -3.688 1.00 0.00 H new TER 926 ASN A 61