USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 525 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= 0.0418 USER MOD Set 1.2: A 37 THR OG1 : rot -57:sc= 0.0426 USER MOD Set 2.1: A 8 ASN : amide:sc= 0.0202 X(o=-0.61,f=-0.65) USER MOD Set 2.2: A 10 SER OG : rot 78:sc= 0.0212 USER MOD Set 2.3: A 13 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0807 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= 1.24 (180deg=0.156) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= -3.64! (180deg=-4.79!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.76! K(o=-4.8!,f=-3.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.00955 K(o=0.0096,f=-5.5!) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= -0.0052 (180deg=-1.49!) USER MOD Single : A 57 ASN : amide:sc= -0.75 X(o=-0.75,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.655 K(o=-0.66,f=0.00026) USER MOD Single : A 62 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.034) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 3:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.305 -22.661 16.083 1.00 0.00 N ATOM 2 CA GLY A 1 -5.693 -21.297 16.389 1.00 0.00 C ATOM 3 C GLY A 1 -5.956 -21.086 17.867 1.00 0.00 C ATOM 4 O GLY A 1 -5.871 -22.025 18.659 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.366 -22.663 15.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.271 -23.218 16.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.999 -23.082 15.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.906 -20.617 16.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.589 -21.042 15.824 1.00 0.00 H new ATOM 8 N SER A 2 -6.273 -19.851 18.240 1.00 0.00 N ATOM 9 CA SER A 2 -6.544 -19.519 19.634 1.00 0.00 C ATOM 10 C SER A 2 -7.051 -18.086 19.763 1.00 0.00 C ATOM 11 O SER A 2 -6.334 -17.132 19.458 1.00 0.00 O ATOM 12 CB SER A 2 -5.281 -19.702 20.478 1.00 0.00 C ATOM 13 OG SER A 2 -5.581 -19.654 21.862 1.00 0.00 O ATOM 0 H SER A 2 -6.349 -19.063 17.597 1.00 0.00 H new ATOM 0 HA SER A 2 -7.318 -20.194 19.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.814 -20.657 20.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.559 -18.923 20.232 1.00 0.00 H new ATOM 0 HG SER A 2 -4.758 -19.775 22.380 1.00 0.00 H new ATOM 19 N SER A 3 -8.292 -17.942 20.216 1.00 0.00 N ATOM 20 CA SER A 3 -8.898 -16.627 20.382 1.00 0.00 C ATOM 21 C SER A 3 -10.089 -16.693 21.334 1.00 0.00 C ATOM 22 O SER A 3 -10.551 -17.775 21.693 1.00 0.00 O ATOM 23 CB SER A 3 -9.344 -16.072 19.027 1.00 0.00 C ATOM 24 OG SER A 3 -9.449 -14.660 19.064 1.00 0.00 O ATOM 0 H SER A 3 -8.898 -18.721 20.475 1.00 0.00 H new ATOM 0 HA SER A 3 -8.149 -15.961 20.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.631 -16.367 18.257 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.306 -16.504 18.752 1.00 0.00 H new ATOM 0 HG SER A 3 -9.734 -14.330 18.186 1.00 0.00 H new ATOM 30 N GLY A 4 -10.581 -15.526 21.738 1.00 0.00 N ATOM 31 CA GLY A 4 -11.713 -15.472 22.645 1.00 0.00 C ATOM 32 C GLY A 4 -12.692 -14.372 22.285 1.00 0.00 C ATOM 33 O GLY A 4 -13.254 -13.720 23.165 1.00 0.00 O ATOM 0 H GLY A 4 -10.216 -14.617 21.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.230 -16.432 22.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.353 -15.315 23.662 1.00 0.00 H new ATOM 37 N SER A 5 -12.896 -14.164 20.988 1.00 0.00 N ATOM 38 CA SER A 5 -13.810 -13.131 20.514 1.00 0.00 C ATOM 39 C SER A 5 -14.429 -13.526 19.177 1.00 0.00 C ATOM 40 O SER A 5 -13.778 -14.150 18.339 1.00 0.00 O ATOM 41 CB SER A 5 -13.076 -11.796 20.375 1.00 0.00 C ATOM 42 OG SER A 5 -12.579 -11.354 21.627 1.00 0.00 O ATOM 0 H SER A 5 -12.441 -14.697 20.247 1.00 0.00 H new ATOM 0 HA SER A 5 -14.610 -13.023 21.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.252 -11.902 19.670 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.752 -11.047 19.964 1.00 0.00 H new ATOM 0 HG SER A 5 -12.113 -10.500 21.511 1.00 0.00 H new ATOM 48 N SER A 6 -15.691 -13.157 18.984 1.00 0.00 N ATOM 49 CA SER A 6 -16.401 -13.475 17.751 1.00 0.00 C ATOM 50 C SER A 6 -16.129 -12.422 16.681 1.00 0.00 C ATOM 51 O SER A 6 -15.612 -11.344 16.971 1.00 0.00 O ATOM 52 CB SER A 6 -17.905 -13.574 18.014 1.00 0.00 C ATOM 53 OG SER A 6 -18.226 -14.777 18.691 1.00 0.00 O ATOM 0 H SER A 6 -16.243 -12.637 19.666 1.00 0.00 H new ATOM 0 HA SER A 6 -16.039 -14.438 17.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.230 -12.720 18.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.446 -13.529 17.069 1.00 0.00 H new ATOM 0 HG SER A 6 -19.192 -14.816 18.849 1.00 0.00 H new ATOM 59 N GLY A 7 -16.480 -12.745 15.439 1.00 0.00 N ATOM 60 CA GLY A 7 -16.266 -11.818 14.343 1.00 0.00 C ATOM 61 C GLY A 7 -15.944 -12.524 13.041 1.00 0.00 C ATOM 62 O GLY A 7 -16.492 -13.586 12.751 1.00 0.00 O ATOM 0 H GLY A 7 -16.908 -13.632 15.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.158 -11.206 14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.450 -11.142 14.597 1.00 0.00 H new ATOM 66 N ASN A 8 -15.052 -11.931 12.254 1.00 0.00 N ATOM 67 CA ASN A 8 -14.659 -12.510 10.974 1.00 0.00 C ATOM 68 C ASN A 8 -13.595 -13.586 11.167 1.00 0.00 C ATOM 69 O ASN A 8 -12.539 -13.333 11.748 1.00 0.00 O ATOM 70 CB ASN A 8 -14.134 -11.419 10.038 1.00 0.00 C ATOM 71 CG ASN A 8 -13.999 -11.902 8.607 1.00 0.00 C ATOM 72 OD1 ASN A 8 -12.891 -12.030 8.085 1.00 0.00 O ATOM 73 ND2 ASN A 8 -15.130 -12.171 7.964 1.00 0.00 N ATOM 0 H ASN A 8 -14.588 -11.051 12.480 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.539 -12.972 10.526 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.808 -10.563 10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.164 -11.073 10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.102 -12.498 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.026 -12.051 8.436 1.00 0.00 H new ATOM 80 N LEU A 9 -13.880 -14.787 10.676 1.00 0.00 N ATOM 81 CA LEU A 9 -12.948 -15.903 10.794 1.00 0.00 C ATOM 82 C LEU A 9 -12.468 -16.358 9.419 1.00 0.00 C ATOM 83 O LEU A 9 -13.164 -17.096 8.721 1.00 0.00 O ATOM 84 CB LEU A 9 -13.609 -17.070 11.529 1.00 0.00 C ATOM 85 CG LEU A 9 -13.442 -17.087 13.049 1.00 0.00 C ATOM 86 CD1 LEU A 9 -11.968 -17.062 13.424 1.00 0.00 C ATOM 87 CD2 LEU A 9 -14.175 -15.911 13.679 1.00 0.00 C ATOM 0 H LEU A 9 -14.749 -15.013 10.192 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.084 -15.565 11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.675 -17.060 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.206 -18.000 11.129 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.878 -18.009 13.433 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.868 -17.075 14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.471 -17.936 13.004 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.507 -16.157 13.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.045 -15.939 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.769 -14.978 13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.236 -15.973 13.439 1.00 0.00 H new ATOM 99 N SER A 10 -11.274 -15.916 9.038 1.00 0.00 N ATOM 100 CA SER A 10 -10.701 -16.277 7.747 1.00 0.00 C ATOM 101 C SER A 10 -9.667 -17.387 7.903 1.00 0.00 C ATOM 102 O SER A 10 -8.625 -17.195 8.528 1.00 0.00 O ATOM 103 CB SER A 10 -10.059 -15.054 7.090 1.00 0.00 C ATOM 104 OG SER A 10 -11.043 -14.181 6.565 1.00 0.00 O ATOM 0 H SER A 10 -10.684 -15.307 9.605 1.00 0.00 H new ATOM 0 HA SER A 10 -11.506 -16.642 7.109 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.450 -14.522 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.390 -15.375 6.291 1.00 0.00 H new ATOM 0 HG SER A 10 -11.441 -13.661 7.294 1.00 0.00 H new ATOM 110 N GLU A 11 -9.963 -18.549 7.328 1.00 0.00 N ATOM 111 CA GLU A 11 -9.060 -19.691 7.404 1.00 0.00 C ATOM 112 C GLU A 11 -8.727 -20.215 6.010 1.00 0.00 C ATOM 113 O GLU A 11 -7.652 -20.772 5.784 1.00 0.00 O ATOM 114 CB GLU A 11 -9.682 -20.807 8.245 1.00 0.00 C ATOM 115 CG GLU A 11 -8.725 -21.950 8.543 1.00 0.00 C ATOM 116 CD GLU A 11 -8.721 -23.005 7.455 1.00 0.00 C ATOM 117 OE1 GLU A 11 -9.809 -23.514 7.116 1.00 0.00 O ATOM 118 OE2 GLU A 11 -7.627 -23.322 6.941 1.00 0.00 O ATOM 0 H GLU A 11 -10.821 -18.724 6.805 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.137 -19.360 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.037 -20.387 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.554 -21.201 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.717 -21.553 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.001 -22.412 9.491 1.00 0.00 H new ATOM 125 N LEU A 12 -9.656 -20.032 5.079 1.00 0.00 N ATOM 126 CA LEU A 12 -9.463 -20.486 3.706 1.00 0.00 C ATOM 127 C LEU A 12 -9.228 -19.305 2.770 1.00 0.00 C ATOM 128 O LEU A 12 -9.513 -19.380 1.574 1.00 0.00 O ATOM 129 CB LEU A 12 -10.678 -21.289 3.238 1.00 0.00 C ATOM 130 CG LEU A 12 -11.105 -22.447 4.139 1.00 0.00 C ATOM 131 CD1 LEU A 12 -12.588 -22.739 3.968 1.00 0.00 C ATOM 132 CD2 LEU A 12 -10.278 -23.689 3.840 1.00 0.00 C ATOM 0 H LEU A 12 -10.551 -19.572 5.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.581 -21.126 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.521 -20.606 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.465 -21.687 2.246 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.930 -22.158 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.873 -23.567 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.166 -21.854 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.789 -23.006 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.596 -24.503 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.421 -23.980 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.224 -23.475 4.015 1.00 0.00 H new ATOM 144 N THR A 13 -8.704 -18.215 3.321 1.00 0.00 N ATOM 145 CA THR A 13 -8.428 -17.018 2.535 1.00 0.00 C ATOM 146 C THR A 13 -7.087 -16.405 2.920 1.00 0.00 C ATOM 147 O THR A 13 -6.626 -16.523 4.055 1.00 0.00 O ATOM 148 CB THR A 13 -9.534 -15.961 2.716 1.00 0.00 C ATOM 149 OG1 THR A 13 -9.883 -15.849 4.100 1.00 0.00 O ATOM 150 CG2 THR A 13 -10.768 -16.325 1.905 1.00 0.00 C ATOM 0 H THR A 13 -8.462 -18.136 4.309 1.00 0.00 H new ATOM 0 HA THR A 13 -8.397 -17.326 1.490 1.00 0.00 H new ATOM 0 HB THR A 13 -9.153 -15.004 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.585 -15.174 4.207 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.535 -15.564 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.506 -16.381 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.149 -17.291 2.236 1.00 0.00 H new ATOM 158 N PRO A 14 -6.444 -15.733 1.953 1.00 0.00 N ATOM 159 CA PRO A 14 -5.146 -15.086 2.168 1.00 0.00 C ATOM 160 C PRO A 14 -5.249 -13.869 3.081 1.00 0.00 C ATOM 161 O PRO A 14 -6.319 -13.567 3.611 1.00 0.00 O ATOM 162 CB PRO A 14 -4.724 -14.662 0.759 1.00 0.00 C ATOM 163 CG PRO A 14 -6.002 -14.520 0.007 1.00 0.00 C ATOM 164 CD PRO A 14 -6.935 -15.552 0.577 1.00 0.00 C ATOM 0 HA PRO A 14 -4.436 -15.751 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.169 -13.724 0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.075 -15.407 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.413 -13.517 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.847 -14.681 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.970 -15.210 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.898 -16.483 0.011 1.00 0.00 H new ATOM 172 N TYR A 15 -4.131 -13.174 3.261 1.00 0.00 N ATOM 173 CA TYR A 15 -4.095 -11.991 4.112 1.00 0.00 C ATOM 174 C TYR A 15 -4.440 -10.736 3.316 1.00 0.00 C ATOM 175 O TYR A 15 -3.556 -9.971 2.929 1.00 0.00 O ATOM 176 CB TYR A 15 -2.714 -11.839 4.752 1.00 0.00 C ATOM 177 CG TYR A 15 -1.584 -12.335 3.879 1.00 0.00 C ATOM 178 CD1 TYR A 15 -1.171 -13.660 3.929 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.929 -11.477 3.004 1.00 0.00 C ATOM 180 CE1 TYR A 15 -0.139 -14.118 3.133 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.104 -11.926 2.203 1.00 0.00 C ATOM 182 CZ TYR A 15 0.495 -13.247 2.271 1.00 0.00 C ATOM 183 OH TYR A 15 1.524 -13.697 1.476 1.00 0.00 O ATOM 0 H TYR A 15 -3.238 -13.410 2.829 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.840 -12.117 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.546 -10.788 4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.698 -12.384 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.665 -14.345 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.232 -10.442 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.170 -15.152 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.602 -11.246 1.528 1.00 0.00 H new ATOM 0 HH TYR A 15 1.861 -12.958 0.927 1.00 0.00 H new ATOM 193 N ILE A 16 -5.731 -10.532 3.076 1.00 0.00 N ATOM 194 CA ILE A 16 -6.194 -9.370 2.327 1.00 0.00 C ATOM 195 C ILE A 16 -6.171 -8.114 3.192 1.00 0.00 C ATOM 196 O ILE A 16 -5.676 -7.067 2.773 1.00 0.00 O ATOM 197 CB ILE A 16 -7.620 -9.581 1.785 1.00 0.00 C ATOM 198 CG1 ILE A 16 -7.695 -10.877 0.976 1.00 0.00 C ATOM 199 CG2 ILE A 16 -8.044 -8.393 0.934 1.00 0.00 C ATOM 200 CD1 ILE A 16 -8.093 -12.081 1.800 1.00 0.00 C ATOM 0 H ILE A 16 -6.475 -11.156 3.389 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.511 -9.243 1.487 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.306 -9.662 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.412 -10.749 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.725 -11.066 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.054 -8.557 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.025 -7.487 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.358 -8.283 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.126 -12.964 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.363 -12.235 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.077 -11.913 2.238 1.00 0.00 H new ATOM 212 N LEU A 17 -6.708 -8.227 4.402 1.00 0.00 N ATOM 213 CA LEU A 17 -6.748 -7.101 5.329 1.00 0.00 C ATOM 214 C LEU A 17 -5.379 -6.438 5.441 1.00 0.00 C ATOM 215 O LEU A 17 -4.390 -6.938 4.903 1.00 0.00 O ATOM 216 CB LEU A 17 -7.217 -7.567 6.709 1.00 0.00 C ATOM 217 CG LEU A 17 -8.620 -8.170 6.773 1.00 0.00 C ATOM 218 CD1 LEU A 17 -8.815 -8.930 8.076 1.00 0.00 C ATOM 219 CD2 LEU A 17 -9.675 -7.084 6.623 1.00 0.00 C ATOM 0 H LEU A 17 -7.121 -9.086 4.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.455 -6.368 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.508 -8.307 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.177 -6.717 7.390 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.731 -8.872 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.819 -9.352 8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.081 -9.734 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.684 -8.249 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.668 -7.532 6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.566 -6.357 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.549 -6.584 5.663 1.00 0.00 H new ATOM 231 N CYS A 18 -5.328 -5.312 6.144 1.00 0.00 N ATOM 232 CA CYS A 18 -4.080 -4.582 6.329 1.00 0.00 C ATOM 233 C CYS A 18 -3.440 -4.928 7.671 1.00 0.00 C ATOM 234 O CYS A 18 -4.068 -5.552 8.526 1.00 0.00 O ATOM 235 CB CYS A 18 -4.330 -3.074 6.245 1.00 0.00 C ATOM 236 SG CYS A 18 -2.820 -2.082 6.016 1.00 0.00 S ATOM 0 H CYS A 18 -6.137 -4.885 6.595 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.395 -4.876 5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.012 -2.875 5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.831 -2.748 7.156 1.00 0.00 H new ATOM 241 N SER A 19 -2.188 -4.519 7.846 1.00 0.00 N ATOM 242 CA SER A 19 -1.461 -4.789 9.081 1.00 0.00 C ATOM 243 C SER A 19 -1.395 -3.541 9.956 1.00 0.00 C ATOM 244 O SER A 19 -1.470 -3.624 11.182 1.00 0.00 O ATOM 245 CB SER A 19 -0.048 -5.283 8.769 1.00 0.00 C ATOM 246 OG SER A 19 0.670 -5.561 9.958 1.00 0.00 O ATOM 0 H SER A 19 -1.656 -3.999 7.148 1.00 0.00 H new ATOM 0 HA SER A 19 -1.997 -5.566 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.101 -6.182 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.484 -4.530 8.187 1.00 0.00 H new ATOM 0 HG SER A 19 1.570 -5.877 9.731 1.00 0.00 H new ATOM 252 N ILE A 20 -1.252 -2.385 9.317 1.00 0.00 N ATOM 253 CA ILE A 20 -1.176 -1.119 10.035 1.00 0.00 C ATOM 254 C ILE A 20 -2.566 -0.611 10.402 1.00 0.00 C ATOM 255 O ILE A 20 -2.898 -0.471 11.579 1.00 0.00 O ATOM 256 CB ILE A 20 -0.450 -0.043 9.206 1.00 0.00 C ATOM 257 CG1 ILE A 20 1.008 -0.444 8.975 1.00 0.00 C ATOM 258 CG2 ILE A 20 -0.531 1.307 9.903 1.00 0.00 C ATOM 259 CD1 ILE A 20 1.636 0.226 7.773 1.00 0.00 C ATOM 0 H ILE A 20 -1.186 -2.299 8.303 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.608 -1.307 10.946 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.941 0.041 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.589 -0.197 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.063 -1.525 8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.013 2.057 9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.576 1.594 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.062 1.239 10.884 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.669 -0.105 7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.079 -0.041 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.613 1.308 7.906 1.00 0.00 H new ATOM 271 N CYS A 21 -3.377 -0.337 9.385 1.00 0.00 N ATOM 272 CA CYS A 21 -4.733 0.155 9.599 1.00 0.00 C ATOM 273 C CYS A 21 -5.682 -0.993 9.930 1.00 0.00 C ATOM 274 O CYS A 21 -6.729 -0.790 10.544 1.00 0.00 O ATOM 275 CB CYS A 21 -5.229 0.900 8.358 1.00 0.00 C ATOM 276 SG CYS A 21 -5.570 -0.179 6.930 1.00 0.00 S ATOM 0 H CYS A 21 -3.118 -0.447 8.405 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.714 0.843 10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.138 1.445 8.613 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.483 1.641 8.070 1.00 0.00 H new ATOM 281 N LYS A 22 -5.308 -2.200 9.519 1.00 0.00 N ATOM 282 CA LYS A 22 -6.123 -3.382 9.772 1.00 0.00 C ATOM 283 C LYS A 22 -7.499 -3.242 9.129 1.00 0.00 C ATOM 284 O LYS A 22 -8.519 -3.532 9.753 1.00 0.00 O ATOM 285 CB LYS A 22 -6.273 -3.611 11.278 1.00 0.00 C ATOM 286 CG LYS A 22 -4.960 -3.908 11.981 1.00 0.00 C ATOM 287 CD LYS A 22 -4.490 -5.327 11.708 1.00 0.00 C ATOM 288 CE LYS A 22 -3.706 -5.891 12.883 1.00 0.00 C ATOM 289 NZ LYS A 22 -2.462 -5.113 13.143 1.00 0.00 N ATOM 0 H LYS A 22 -4.445 -2.385 9.009 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.620 -4.241 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.725 -2.727 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.960 -4.440 11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.200 -3.201 11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.080 -3.764 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.351 -5.964 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.867 -5.339 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.332 -5.884 13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.449 -6.931 12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.640 -5.748 13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.363 -4.367 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.514 -4.680 14.087 1.00 0.00 H new ATOM 303 N GLY A 23 -7.520 -2.795 7.877 1.00 0.00 N ATOM 304 CA GLY A 23 -8.776 -2.626 7.170 1.00 0.00 C ATOM 305 C GLY A 23 -8.655 -2.934 5.691 1.00 0.00 C ATOM 306 O GLY A 23 -7.551 -3.099 5.172 1.00 0.00 O ATOM 0 H GLY A 23 -6.689 -2.547 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.529 -3.277 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.126 -1.602 7.297 1.00 0.00 H new ATOM 310 N TYR A 24 -9.793 -3.013 5.010 1.00 0.00 N ATOM 311 CA TYR A 24 -9.811 -3.307 3.582 1.00 0.00 C ATOM 312 C TYR A 24 -8.737 -2.509 2.848 1.00 0.00 C ATOM 313 O TYR A 24 -8.606 -1.300 3.039 1.00 0.00 O ATOM 314 CB TYR A 24 -11.187 -2.994 2.992 1.00 0.00 C ATOM 315 CG TYR A 24 -12.194 -4.106 3.182 1.00 0.00 C ATOM 316 CD1 TYR A 24 -11.880 -5.418 2.851 1.00 0.00 C ATOM 317 CD2 TYR A 24 -13.459 -3.844 3.693 1.00 0.00 C ATOM 318 CE1 TYR A 24 -12.797 -6.437 3.022 1.00 0.00 C ATOM 319 CE2 TYR A 24 -14.382 -4.857 3.869 1.00 0.00 C ATOM 320 CZ TYR A 24 -14.047 -6.151 3.531 1.00 0.00 C ATOM 321 OH TYR A 24 -14.963 -7.163 3.704 1.00 0.00 O ATOM 0 H TYR A 24 -10.715 -2.877 5.424 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.601 -4.369 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.572 -2.084 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.079 -2.791 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.902 -5.645 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -13.725 -2.831 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.537 -7.452 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -15.361 -4.636 4.269 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.793 -6.794 4.072 1.00 0.00 H new ATOM 331 N LEU A 25 -7.971 -3.196 2.008 1.00 0.00 N ATOM 332 CA LEU A 25 -6.908 -2.553 1.243 1.00 0.00 C ATOM 333 C LEU A 25 -7.483 -1.555 0.243 1.00 0.00 C ATOM 334 O LEU A 25 -8.469 -1.842 -0.438 1.00 0.00 O ATOM 335 CB LEU A 25 -6.073 -3.604 0.509 1.00 0.00 C ATOM 336 CG LEU A 25 -5.206 -4.506 1.388 1.00 0.00 C ATOM 337 CD1 LEU A 25 -4.661 -5.674 0.581 1.00 0.00 C ATOM 338 CD2 LEU A 25 -4.069 -3.709 2.011 1.00 0.00 C ATOM 0 H LEU A 25 -8.066 -4.197 1.839 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.269 -2.012 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.747 -4.235 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.425 -3.092 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.827 -4.904 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.046 -6.305 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.490 -6.260 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.055 -5.296 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.462 -4.367 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.449 -3.282 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.480 -2.907 2.624 1.00 0.00 H new ATOM 350 N ILE A 26 -6.861 -0.384 0.158 1.00 0.00 N ATOM 351 CA ILE A 26 -7.310 0.654 -0.762 1.00 0.00 C ATOM 352 C ILE A 26 -6.500 0.631 -2.054 1.00 0.00 C ATOM 353 O ILE A 26 -7.030 0.336 -3.125 1.00 0.00 O ATOM 354 CB ILE A 26 -7.202 2.053 -0.126 1.00 0.00 C ATOM 355 CG1 ILE A 26 -8.089 2.142 1.117 1.00 0.00 C ATOM 356 CG2 ILE A 26 -7.588 3.124 -1.136 1.00 0.00 C ATOM 357 CD1 ILE A 26 -7.392 1.709 2.388 1.00 0.00 C ATOM 0 H ILE A 26 -6.045 -0.130 0.715 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.356 0.446 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.168 2.220 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.435 3.169 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.973 1.522 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.507 4.107 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.919 3.072 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.614 2.961 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.080 1.798 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.070 0.672 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.523 2.344 2.561 1.00 0.00 H new ATOM 369 N ASP A 27 -5.213 0.943 -1.945 1.00 0.00 N ATOM 370 CA ASP A 27 -4.329 0.956 -3.104 1.00 0.00 C ATOM 371 C ASP A 27 -3.628 -0.390 -3.268 1.00 0.00 C ATOM 372 O ASP A 27 -3.270 -0.783 -4.377 1.00 0.00 O ATOM 373 CB ASP A 27 -3.292 2.072 -2.969 1.00 0.00 C ATOM 374 CG ASP A 27 -3.766 3.379 -3.572 1.00 0.00 C ATOM 375 OD1 ASP A 27 -3.815 3.476 -4.816 1.00 0.00 O ATOM 376 OD2 ASP A 27 -4.090 4.305 -2.799 1.00 0.00 O ATOM 0 H ASP A 27 -4.759 1.190 -1.066 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.936 1.140 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.062 2.224 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.367 1.765 -3.456 1.00 0.00 H new ATOM 381 N ALA A 28 -3.435 -1.090 -2.155 1.00 0.00 N ATOM 382 CA ALA A 28 -2.778 -2.391 -2.175 1.00 0.00 C ATOM 383 C ALA A 28 -1.350 -2.277 -2.698 1.00 0.00 C ATOM 384 O ALA A 28 -0.955 -2.995 -3.617 1.00 0.00 O ATOM 385 CB ALA A 28 -3.576 -3.371 -3.022 1.00 0.00 C ATOM 0 H ALA A 28 -3.724 -0.778 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.733 -2.764 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.074 -4.339 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.576 -3.484 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.650 -2.994 -4.042 1.00 0.00 H new ATOM 391 N THR A 29 -0.579 -1.369 -2.107 1.00 0.00 N ATOM 392 CA THR A 29 0.804 -1.160 -2.514 1.00 0.00 C ATOM 393 C THR A 29 1.724 -2.205 -1.893 1.00 0.00 C ATOM 394 O THR A 29 2.161 -2.064 -0.750 1.00 0.00 O ATOM 395 CB THR A 29 1.300 0.243 -2.118 1.00 0.00 C ATOM 396 OG1 THR A 29 0.527 1.244 -2.790 1.00 0.00 O ATOM 397 CG2 THR A 29 2.771 0.415 -2.464 1.00 0.00 C ATOM 0 H THR A 29 -0.890 -0.767 -1.345 1.00 0.00 H new ATOM 0 HA THR A 29 0.831 -1.254 -3.600 1.00 0.00 H new ATOM 0 HB THR A 29 1.181 0.355 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.848 2.133 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.098 1.414 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.360 -0.329 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.910 0.284 -3.537 1.00 0.00 H new ATOM 405 N THR A 30 2.017 -3.256 -2.654 1.00 0.00 N ATOM 406 CA THR A 30 2.885 -4.326 -2.178 1.00 0.00 C ATOM 407 C THR A 30 4.343 -4.044 -2.521 1.00 0.00 C ATOM 408 O THR A 30 4.650 -3.544 -3.604 1.00 0.00 O ATOM 409 CB THR A 30 2.481 -5.685 -2.779 1.00 0.00 C ATOM 410 OG1 THR A 30 1.107 -5.962 -2.486 1.00 0.00 O ATOM 411 CG2 THR A 30 3.356 -6.801 -2.228 1.00 0.00 C ATOM 0 H THR A 30 1.666 -3.388 -3.602 1.00 0.00 H new ATOM 0 HA THR A 30 2.771 -4.368 -1.095 1.00 0.00 H new ATOM 0 HB THR A 30 2.619 -5.635 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.858 -6.827 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.052 -7.752 -2.667 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.398 -6.603 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.245 -6.849 -1.145 1.00 0.00 H new ATOM 419 N ILE A 31 5.237 -4.368 -1.594 1.00 0.00 N ATOM 420 CA ILE A 31 6.664 -4.152 -1.801 1.00 0.00 C ATOM 421 C ILE A 31 7.283 -5.292 -2.602 1.00 0.00 C ATOM 422 O ILE A 31 6.802 -6.425 -2.565 1.00 0.00 O ATOM 423 CB ILE A 31 7.412 -4.015 -0.461 1.00 0.00 C ATOM 424 CG1 ILE A 31 6.542 -3.282 0.561 1.00 0.00 C ATOM 425 CG2 ILE A 31 8.732 -3.285 -0.664 1.00 0.00 C ATOM 426 CD1 ILE A 31 7.158 -3.217 1.942 1.00 0.00 C ATOM 0 H ILE A 31 4.999 -4.781 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 31 6.764 -3.222 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 31 7.626 -5.012 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.355 -2.268 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.575 -3.780 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.249 -3.196 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.354 -3.845 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.540 -2.291 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.487 -2.683 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.319 -4.228 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.112 -2.693 1.890 1.00 0.00 H new ATOM 438 N THR A 32 8.354 -4.985 -3.327 1.00 0.00 N ATOM 439 CA THR A 32 9.040 -5.983 -4.137 1.00 0.00 C ATOM 440 C THR A 32 10.241 -6.562 -3.397 1.00 0.00 C ATOM 441 O THR A 32 10.809 -7.572 -3.812 1.00 0.00 O ATOM 442 CB THR A 32 9.516 -5.389 -5.477 1.00 0.00 C ATOM 443 OG1 THR A 32 8.388 -4.979 -6.258 1.00 0.00 O ATOM 444 CG2 THR A 32 10.338 -6.403 -6.257 1.00 0.00 C ATOM 0 H THR A 32 8.765 -4.052 -3.370 1.00 0.00 H new ATOM 0 HA THR A 32 8.320 -6.777 -4.335 1.00 0.00 H new ATOM 0 HB THR A 32 10.144 -4.524 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.698 -4.601 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.663 -5.961 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.211 -6.691 -5.671 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.730 -7.285 -6.461 1.00 0.00 H new ATOM 452 N GLU A 33 10.620 -5.917 -2.299 1.00 0.00 N ATOM 453 CA GLU A 33 11.754 -6.369 -1.501 1.00 0.00 C ATOM 454 C GLU A 33 11.344 -7.506 -0.569 1.00 0.00 C ATOM 455 O GLU A 33 11.726 -8.659 -0.771 1.00 0.00 O ATOM 456 CB GLU A 33 12.329 -5.208 -0.686 1.00 0.00 C ATOM 457 CG GLU A 33 13.745 -5.453 -0.192 1.00 0.00 C ATOM 458 CD GLU A 33 14.796 -4.930 -1.152 1.00 0.00 C ATOM 459 OE1 GLU A 33 14.567 -3.861 -1.755 1.00 0.00 O ATOM 460 OE2 GLU A 33 15.846 -5.589 -1.300 1.00 0.00 O ATOM 0 H GLU A 33 10.159 -5.080 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 33 12.520 -6.739 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.318 -4.306 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.682 -5.021 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.875 -4.975 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.894 -6.522 -0.043 1.00 0.00 H new ATOM 467 N CYS A 34 10.565 -7.172 0.455 1.00 0.00 N ATOM 468 CA CYS A 34 10.103 -8.162 1.420 1.00 0.00 C ATOM 469 C CYS A 34 8.837 -8.855 0.925 1.00 0.00 C ATOM 470 O CYS A 34 8.395 -9.850 1.500 1.00 0.00 O ATOM 471 CB CYS A 34 9.839 -7.500 2.774 1.00 0.00 C ATOM 472 SG CYS A 34 8.594 -6.172 2.723 1.00 0.00 S ATOM 0 H CYS A 34 10.241 -6.222 0.638 1.00 0.00 H new ATOM 0 HA CYS A 34 10.885 -8.912 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.513 -8.262 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.775 -7.091 3.155 1.00 0.00 H new ATOM 477 N LEU A 35 8.258 -8.322 -0.146 1.00 0.00 N ATOM 478 CA LEU A 35 7.042 -8.889 -0.720 1.00 0.00 C ATOM 479 C LEU A 35 5.887 -8.819 0.274 1.00 0.00 C ATOM 480 O LEU A 35 5.239 -9.826 0.560 1.00 0.00 O ATOM 481 CB LEU A 35 7.281 -10.340 -1.140 1.00 0.00 C ATOM 482 CG LEU A 35 8.010 -10.542 -2.469 1.00 0.00 C ATOM 483 CD1 LEU A 35 7.331 -9.750 -3.576 1.00 0.00 C ATOM 484 CD2 LEU A 35 9.472 -10.139 -2.342 1.00 0.00 C ATOM 0 H LEU A 35 8.611 -7.499 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 35 6.777 -8.302 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.854 -10.835 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.316 -10.844 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 35 7.967 -11.600 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.864 -9.906 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.300 -10.086 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.342 -8.690 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.975 -10.289 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.537 -9.088 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.953 -10.750 -1.578 1.00 0.00 H new ATOM 496 N HIS A 36 5.634 -7.623 0.796 1.00 0.00 N ATOM 497 CA HIS A 36 4.554 -7.422 1.757 1.00 0.00 C ATOM 498 C HIS A 36 3.507 -6.460 1.203 1.00 0.00 C ATOM 499 O HIS A 36 3.833 -5.524 0.472 1.00 0.00 O ATOM 500 CB HIS A 36 5.110 -6.884 3.076 1.00 0.00 C ATOM 501 CG HIS A 36 5.799 -7.925 3.903 1.00 0.00 C ATOM 502 ND1 HIS A 36 6.691 -7.618 4.909 1.00 0.00 N ATOM 503 CD2 HIS A 36 5.721 -9.276 3.871 1.00 0.00 C ATOM 504 CE1 HIS A 36 7.134 -8.735 5.458 1.00 0.00 C ATOM 505 NE2 HIS A 36 6.560 -9.756 4.847 1.00 0.00 N ATOM 0 H HIS A 36 6.161 -6.779 0.570 1.00 0.00 H new ATOM 0 HA HIS A 36 4.078 -8.386 1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.812 -6.077 2.863 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.294 -6.452 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.112 -9.867 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.845 -8.802 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.715 -10.740 5.065 1.00 0.00 H new ATOM 513 N THR A 37 2.247 -6.698 1.555 1.00 0.00 N ATOM 514 CA THR A 37 1.152 -5.854 1.092 1.00 0.00 C ATOM 515 C THR A 37 0.878 -4.721 2.074 1.00 0.00 C ATOM 516 O THR A 37 0.759 -4.946 3.278 1.00 0.00 O ATOM 517 CB THR A 37 -0.139 -6.670 0.892 1.00 0.00 C ATOM 518 OG1 THR A 37 0.105 -7.763 0.000 1.00 0.00 O ATOM 519 CG2 THR A 37 -1.252 -5.794 0.336 1.00 0.00 C ATOM 0 H THR A 37 1.960 -7.468 2.159 1.00 0.00 H new ATOM 0 HA THR A 37 1.459 -5.434 0.134 1.00 0.00 H new ATOM 0 HB THR A 37 -0.452 -7.056 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.446 -7.420 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.154 -6.392 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.456 -4.980 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.945 -5.382 -0.625 1.00 0.00 H new ATOM 527 N PHE A 38 0.778 -3.503 1.552 1.00 0.00 N ATOM 528 CA PHE A 38 0.517 -2.334 2.383 1.00 0.00 C ATOM 529 C PHE A 38 -0.185 -1.242 1.582 1.00 0.00 C ATOM 530 O PHE A 38 0.261 -0.869 0.496 1.00 0.00 O ATOM 531 CB PHE A 38 1.825 -1.795 2.966 1.00 0.00 C ATOM 532 CG PHE A 38 2.332 -2.588 4.136 1.00 0.00 C ATOM 533 CD1 PHE A 38 1.710 -2.500 5.371 1.00 0.00 C ATOM 534 CD2 PHE A 38 3.431 -3.421 4.001 1.00 0.00 C ATOM 535 CE1 PHE A 38 2.176 -3.228 6.450 1.00 0.00 C ATOM 536 CE2 PHE A 38 3.901 -4.152 5.076 1.00 0.00 C ATOM 537 CZ PHE A 38 3.272 -4.056 6.302 1.00 0.00 C ATOM 0 H PHE A 38 0.874 -3.300 0.557 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.139 -2.638 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.586 -1.788 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.676 -0.761 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.852 -1.856 5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.926 -3.500 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.684 -3.149 7.408 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.759 -4.797 4.957 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.636 -4.627 7.143 1.00 0.00 H new ATOM 547 N CYS A 39 -1.286 -0.733 2.124 1.00 0.00 N ATOM 548 CA CYS A 39 -2.052 0.315 1.461 1.00 0.00 C ATOM 549 C CYS A 39 -1.138 1.446 0.998 1.00 0.00 C ATOM 550 O CYS A 39 0.075 1.404 1.205 1.00 0.00 O ATOM 551 CB CYS A 39 -3.125 0.865 2.402 1.00 0.00 C ATOM 552 SG CYS A 39 -4.122 -0.420 3.224 1.00 0.00 S ATOM 0 H CYS A 39 -1.668 -1.030 3.022 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.535 -0.121 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.645 1.480 3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.789 1.519 1.836 1.00 0.00 H new ATOM 557 N LYS A 40 -1.729 2.457 0.371 1.00 0.00 N ATOM 558 CA LYS A 40 -0.970 3.602 -0.120 1.00 0.00 C ATOM 559 C LYS A 40 -0.672 4.582 1.009 1.00 0.00 C ATOM 560 O LYS A 40 0.487 4.813 1.354 1.00 0.00 O ATOM 561 CB LYS A 40 -1.742 4.311 -1.235 1.00 0.00 C ATOM 562 CG LYS A 40 -1.162 5.663 -1.612 1.00 0.00 C ATOM 563 CD LYS A 40 -0.001 5.521 -2.582 1.00 0.00 C ATOM 564 CE LYS A 40 0.492 6.876 -3.064 1.00 0.00 C ATOM 565 NZ LYS A 40 0.992 7.716 -1.941 1.00 0.00 N ATOM 0 H LYS A 40 -2.732 2.507 0.191 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.024 3.235 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.757 3.672 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.777 4.444 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.939 6.281 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.825 6.179 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.816 4.987 -2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.311 4.920 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.289 6.734 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.318 7.397 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.336 8.506 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.058 7.139 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.933 8.090 -2.179 1.00 0.00 H new ATOM 579 N SER A 41 -1.725 5.156 1.583 1.00 0.00 N ATOM 580 CA SER A 41 -1.576 6.113 2.672 1.00 0.00 C ATOM 581 C SER A 41 -0.873 5.473 3.866 1.00 0.00 C ATOM 582 O SER A 41 -0.331 6.166 4.727 1.00 0.00 O ATOM 583 CB SER A 41 -2.943 6.651 3.099 1.00 0.00 C ATOM 584 OG SER A 41 -2.818 7.576 4.165 1.00 0.00 O ATOM 0 H SER A 41 -2.691 4.974 1.311 1.00 0.00 H new ATOM 0 HA SER A 41 -0.964 6.941 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.429 7.133 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.583 5.824 3.405 1.00 0.00 H new ATOM 0 HG SER A 41 -3.706 7.906 4.418 1.00 0.00 H new ATOM 590 N CYS A 42 -0.887 4.145 3.910 1.00 0.00 N ATOM 591 CA CYS A 42 -0.253 3.409 4.996 1.00 0.00 C ATOM 592 C CYS A 42 1.258 3.342 4.798 1.00 0.00 C ATOM 593 O CYS A 42 2.026 3.800 5.645 1.00 0.00 O ATOM 594 CB CYS A 42 -0.830 1.995 5.087 1.00 0.00 C ATOM 595 SG CYS A 42 -2.471 1.910 5.873 1.00 0.00 S ATOM 0 H CYS A 42 -1.331 3.557 3.205 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.457 3.938 5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.898 1.577 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.138 1.367 5.648 1.00 0.00 H new ATOM 600 N ILE A 43 1.677 2.768 3.676 1.00 0.00 N ATOM 601 CA ILE A 43 3.096 2.642 3.366 1.00 0.00 C ATOM 602 C ILE A 43 3.716 4.003 3.067 1.00 0.00 C ATOM 603 O ILE A 43 4.847 4.283 3.464 1.00 0.00 O ATOM 604 CB ILE A 43 3.330 1.709 2.163 1.00 0.00 C ATOM 605 CG1 ILE A 43 4.809 1.334 2.061 1.00 0.00 C ATOM 606 CG2 ILE A 43 2.855 2.372 0.879 1.00 0.00 C ATOM 607 CD1 ILE A 43 5.283 0.433 3.180 1.00 0.00 C ATOM 0 H ILE A 43 1.054 2.383 2.966 1.00 0.00 H new ATOM 0 HA ILE A 43 3.574 2.212 4.246 1.00 0.00 H new ATOM 0 HB ILE A 43 2.753 0.796 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.985 0.837 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.407 2.245 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.027 1.701 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.790 2.592 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.407 3.299 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.341 0.208 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.140 0.935 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.710 -0.494 3.168 1.00 0.00 H new ATOM 619 N VAL A 44 2.967 4.847 2.365 1.00 0.00 N ATOM 620 CA VAL A 44 3.441 6.181 2.014 1.00 0.00 C ATOM 621 C VAL A 44 3.578 7.059 3.253 1.00 0.00 C ATOM 622 O VAL A 44 4.408 7.967 3.295 1.00 0.00 O ATOM 623 CB VAL A 44 2.494 6.869 1.013 1.00 0.00 C ATOM 624 CG1 VAL A 44 1.450 7.696 1.748 1.00 0.00 C ATOM 625 CG2 VAL A 44 3.283 7.732 0.041 1.00 0.00 C ATOM 0 H VAL A 44 2.029 4.631 2.028 1.00 0.00 H new ATOM 0 HA VAL A 44 4.419 6.057 1.550 1.00 0.00 H new ATOM 0 HB VAL A 44 1.976 6.099 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.790 8.175 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.865 7.047 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.946 8.459 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.598 8.211 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.829 8.496 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.988 7.109 -0.509 1.00 0.00 H new ATOM 635 N ARG A 45 2.758 6.781 4.262 1.00 0.00 N ATOM 636 CA ARG A 45 2.787 7.546 5.503 1.00 0.00 C ATOM 637 C ARG A 45 3.790 6.950 6.486 1.00 0.00 C ATOM 638 O ARG A 45 4.615 7.664 7.056 1.00 0.00 O ATOM 639 CB ARG A 45 1.395 7.582 6.137 1.00 0.00 C ATOM 640 CG ARG A 45 1.323 8.424 7.400 1.00 0.00 C ATOM 641 CD ARG A 45 0.218 7.944 8.327 1.00 0.00 C ATOM 642 NE ARG A 45 -0.070 8.911 9.383 1.00 0.00 N ATOM 643 CZ ARG A 45 -0.609 8.584 10.553 1.00 0.00 C ATOM 644 NH1 ARG A 45 -0.917 7.321 10.814 1.00 0.00 N ATOM 645 NH2 ARG A 45 -0.840 9.521 11.463 1.00 0.00 N ATOM 0 H ARG A 45 2.066 6.032 4.244 1.00 0.00 H new ATOM 0 HA ARG A 45 3.098 8.564 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.684 7.972 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.085 6.564 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.280 8.383 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.149 9.467 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.687 7.760 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.508 6.994 8.775 1.00 0.00 H new ATOM 0 HE ARG A 45 0.155 9.891 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.740 6.598 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.331 7.072 11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.604 10.493 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.254 9.269 12.361 1.00 0.00 H new ATOM 659 N HIS A 46 3.714 5.637 6.679 1.00 0.00 N ATOM 660 CA HIS A 46 4.615 4.945 7.593 1.00 0.00 C ATOM 661 C HIS A 46 6.064 5.350 7.338 1.00 0.00 C ATOM 662 O HIS A 46 6.901 5.300 8.239 1.00 0.00 O ATOM 663 CB HIS A 46 4.463 3.431 7.443 1.00 0.00 C ATOM 664 CG HIS A 46 5.400 2.646 8.309 1.00 0.00 C ATOM 665 ND1 HIS A 46 5.022 2.081 9.508 1.00 0.00 N ATOM 666 CD2 HIS A 46 6.707 2.333 8.143 1.00 0.00 C ATOM 667 CE1 HIS A 46 6.055 1.455 10.043 1.00 0.00 C ATOM 668 NE2 HIS A 46 7.090 1.593 9.234 1.00 0.00 N ATOM 0 H HIS A 46 3.038 5.031 6.214 1.00 0.00 H new ATOM 0 HA HIS A 46 4.350 5.231 8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.438 3.151 7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.630 3.159 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.332 2.613 7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.054 0.921 10.982 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.022 1.212 9.394 1.00 0.00 H new ATOM 676 N PHE A 47 6.353 5.751 6.104 1.00 0.00 N ATOM 677 CA PHE A 47 7.700 6.164 5.730 1.00 0.00 C ATOM 678 C PHE A 47 8.020 7.548 6.288 1.00 0.00 C ATOM 679 O PHE A 47 9.170 7.850 6.608 1.00 0.00 O ATOM 680 CB PHE A 47 7.852 6.167 4.208 1.00 0.00 C ATOM 681 CG PHE A 47 8.027 4.797 3.619 1.00 0.00 C ATOM 682 CD1 PHE A 47 8.856 3.868 4.228 1.00 0.00 C ATOM 683 CD2 PHE A 47 7.364 4.437 2.457 1.00 0.00 C ATOM 684 CE1 PHE A 47 9.020 2.606 3.690 1.00 0.00 C ATOM 685 CE2 PHE A 47 7.524 3.176 1.914 1.00 0.00 C ATOM 686 CZ PHE A 47 8.354 2.260 2.531 1.00 0.00 C ATOM 0 H PHE A 47 5.672 5.799 5.346 1.00 0.00 H new ATOM 0 HA PHE A 47 8.403 5.449 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.973 6.635 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.711 6.782 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.380 4.134 5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.715 5.150 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.668 1.891 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.001 2.907 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.482 1.275 2.107 1.00 0.00 H new ATOM 696 N TYR A 48 6.995 8.384 6.401 1.00 0.00 N ATOM 697 CA TYR A 48 7.166 9.738 6.917 1.00 0.00 C ATOM 698 C TYR A 48 7.660 9.712 8.360 1.00 0.00 C ATOM 699 O TYR A 48 8.458 10.555 8.770 1.00 0.00 O ATOM 700 CB TYR A 48 5.848 10.509 6.830 1.00 0.00 C ATOM 701 CG TYR A 48 5.713 11.338 5.573 1.00 0.00 C ATOM 702 CD1 TYR A 48 6.599 12.375 5.303 1.00 0.00 C ATOM 703 CD2 TYR A 48 4.700 11.087 4.656 1.00 0.00 C ATOM 704 CE1 TYR A 48 6.479 13.136 4.156 1.00 0.00 C ATOM 705 CE2 TYR A 48 4.574 11.842 3.506 1.00 0.00 C ATOM 706 CZ TYR A 48 5.466 12.865 3.261 1.00 0.00 C ATOM 707 OH TYR A 48 5.342 13.620 2.117 1.00 0.00 O ATOM 0 H TYR A 48 6.037 8.149 6.143 1.00 0.00 H new ATOM 0 HA TYR A 48 7.914 10.242 6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.020 9.802 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.762 11.163 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.394 12.589 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.999 10.288 4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.175 13.939 3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.782 11.632 2.803 1.00 0.00 H new ATOM 0 HH TYR A 48 4.578 13.298 1.594 1.00 0.00 H new ATOM 717 N TYR A 49 7.179 8.739 9.125 1.00 0.00 N ATOM 718 CA TYR A 49 7.569 8.603 10.524 1.00 0.00 C ATOM 719 C TYR A 49 8.694 7.585 10.679 1.00 0.00 C ATOM 720 O TYR A 49 9.664 7.819 11.400 1.00 0.00 O ATOM 721 CB TYR A 49 6.366 8.185 11.372 1.00 0.00 C ATOM 722 CG TYR A 49 5.191 9.129 11.263 1.00 0.00 C ATOM 723 CD1 TYR A 49 5.246 10.405 11.812 1.00 0.00 C ATOM 724 CD2 TYR A 49 4.025 8.747 10.611 1.00 0.00 C ATOM 725 CE1 TYR A 49 4.174 11.270 11.716 1.00 0.00 C ATOM 726 CE2 TYR A 49 2.949 9.607 10.508 1.00 0.00 C ATOM 727 CZ TYR A 49 3.028 10.867 11.063 1.00 0.00 C ATOM 728 OH TYR A 49 1.958 11.727 10.963 1.00 0.00 O ATOM 0 H TYR A 49 6.519 8.033 8.801 1.00 0.00 H new ATOM 0 HA TYR A 49 7.930 9.571 10.870 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.049 7.187 11.070 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.673 8.120 12.416 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.142 10.725 12.322 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.959 7.760 10.177 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.233 12.257 12.150 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.051 9.294 9.996 1.00 0.00 H new ATOM 0 HH TYR A 49 1.231 11.289 10.473 1.00 0.00 H new ATOM 738 N SER A 50 8.557 6.453 9.996 1.00 0.00 N ATOM 739 CA SER A 50 9.559 5.395 10.059 1.00 0.00 C ATOM 740 C SER A 50 9.977 4.958 8.659 1.00 0.00 C ATOM 741 O SER A 50 9.170 4.431 7.895 1.00 0.00 O ATOM 742 CB SER A 50 9.018 4.196 10.840 1.00 0.00 C ATOM 743 OG SER A 50 10.019 3.209 11.018 1.00 0.00 O ATOM 0 H SER A 50 7.762 6.245 9.392 1.00 0.00 H new ATOM 0 HA SER A 50 10.435 5.789 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.652 4.527 11.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.169 3.766 10.309 1.00 0.00 H new ATOM 0 HG SER A 50 9.648 2.454 11.521 1.00 0.00 H new ATOM 749 N ASN A 51 11.245 5.182 8.329 1.00 0.00 N ATOM 750 CA ASN A 51 11.771 4.812 7.020 1.00 0.00 C ATOM 751 C ASN A 51 12.037 3.311 6.945 1.00 0.00 C ATOM 752 O ASN A 51 13.057 2.877 6.411 1.00 0.00 O ATOM 753 CB ASN A 51 13.060 5.584 6.729 1.00 0.00 C ATOM 754 CG ASN A 51 14.137 5.323 7.764 1.00 0.00 C ATOM 755 OD1 ASN A 51 13.844 4.940 8.897 1.00 0.00 O ATOM 756 ND2 ASN A 51 15.390 5.532 7.379 1.00 0.00 N ATOM 0 H ASN A 51 11.927 5.618 8.950 1.00 0.00 H new ATOM 0 HA ASN A 51 11.023 5.069 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.432 5.305 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.842 6.651 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.157 5.375 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.586 5.849 6.430 1.00 0.00 H new ATOM 763 N ARG A 52 11.110 2.525 7.483 1.00 0.00 N ATOM 764 CA ARG A 52 11.244 1.073 7.477 1.00 0.00 C ATOM 765 C ARG A 52 9.886 0.403 7.292 1.00 0.00 C ATOM 766 O ARG A 52 8.855 1.073 7.225 1.00 0.00 O ATOM 767 CB ARG A 52 11.887 0.593 8.780 1.00 0.00 C ATOM 768 CG ARG A 52 13.346 0.996 8.923 1.00 0.00 C ATOM 769 CD ARG A 52 14.035 0.212 10.029 1.00 0.00 C ATOM 770 NE ARG A 52 15.317 0.803 10.402 1.00 0.00 N ATOM 771 CZ ARG A 52 16.311 0.115 10.953 1.00 0.00 C ATOM 772 NH1 ARG A 52 16.171 -1.181 11.193 1.00 0.00 N ATOM 773 NH2 ARG A 52 17.447 0.724 11.266 1.00 0.00 N ATOM 0 H ARG A 52 10.259 2.869 7.928 1.00 0.00 H new ATOM 0 HA ARG A 52 11.885 0.796 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.324 0.994 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.812 -0.493 8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.865 0.828 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.411 2.063 9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.386 0.173 10.904 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.191 -0.816 9.701 1.00 0.00 H new ATOM 0 HE ARG A 52 15.457 1.799 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.299 -1.652 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.936 -1.707 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.558 1.721 11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.210 0.195 11.689 1.00 0.00 H new ATOM 787 N CYS A 53 9.892 -0.924 7.209 1.00 0.00 N ATOM 788 CA CYS A 53 8.662 -1.685 7.030 1.00 0.00 C ATOM 789 C CYS A 53 8.120 -2.166 8.373 1.00 0.00 C ATOM 790 O CYS A 53 8.838 -2.745 9.189 1.00 0.00 O ATOM 791 CB CYS A 53 8.908 -2.882 6.109 1.00 0.00 C ATOM 792 SG CYS A 53 7.388 -3.723 5.561 1.00 0.00 S ATOM 0 H CYS A 53 10.736 -1.494 7.263 1.00 0.00 H new ATOM 0 HA CYS A 53 7.921 -1.029 6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.460 -2.545 5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.542 -3.601 6.627 1.00 0.00 H new ATOM 797 N PRO A 54 6.823 -1.923 8.609 1.00 0.00 N ATOM 798 CA PRO A 54 6.155 -2.324 9.851 1.00 0.00 C ATOM 799 C PRO A 54 5.992 -3.836 9.960 1.00 0.00 C ATOM 800 O PRO A 54 5.325 -4.335 10.866 1.00 0.00 O ATOM 801 CB PRO A 54 4.787 -1.644 9.753 1.00 0.00 C ATOM 802 CG PRO A 54 4.553 -1.472 8.291 1.00 0.00 C ATOM 803 CD PRO A 54 5.907 -1.239 7.680 1.00 0.00 C ATOM 0 HA PRO A 54 6.727 -2.036 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.008 -2.254 10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.784 -0.684 10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.079 -2.356 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.888 -0.630 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.971 -1.654 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.135 -0.176 7.601 1.00 0.00 H new ATOM 811 N LYS A 55 6.606 -4.561 9.031 1.00 0.00 N ATOM 812 CA LYS A 55 6.531 -6.017 9.023 1.00 0.00 C ATOM 813 C LYS A 55 7.909 -6.634 9.241 1.00 0.00 C ATOM 814 O LYS A 55 8.171 -7.240 10.281 1.00 0.00 O ATOM 815 CB LYS A 55 5.944 -6.511 7.698 1.00 0.00 C ATOM 816 CG LYS A 55 5.191 -7.824 7.819 1.00 0.00 C ATOM 817 CD LYS A 55 4.037 -7.898 6.833 1.00 0.00 C ATOM 818 CE LYS A 55 2.746 -7.376 7.446 1.00 0.00 C ATOM 819 NZ LYS A 55 1.632 -7.356 6.458 1.00 0.00 N ATOM 0 H LYS A 55 7.161 -4.164 8.273 1.00 0.00 H new ATOM 0 HA LYS A 55 5.880 -6.327 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.271 -5.751 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.751 -6.630 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.875 -8.654 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.811 -7.934 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.279 -7.317 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.897 -8.930 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.468 -8.001 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.908 -6.369 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.196 -6.412 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.003 -7.578 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.918 -8.064 6.725 1.00 0.00 H new ATOM 833 N CYS A 56 8.786 -6.475 8.256 1.00 0.00 N ATOM 834 CA CYS A 56 10.138 -7.015 8.341 1.00 0.00 C ATOM 835 C CYS A 56 11.089 -6.004 8.975 1.00 0.00 C ATOM 836 O CYS A 56 12.157 -6.365 9.466 1.00 0.00 O ATOM 837 CB CYS A 56 10.642 -7.403 6.949 1.00 0.00 C ATOM 838 SG CYS A 56 10.339 -6.142 5.670 1.00 0.00 S ATOM 0 H CYS A 56 8.585 -5.976 7.389 1.00 0.00 H new ATOM 0 HA CYS A 56 10.109 -7.904 8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.713 -7.599 7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.162 -8.334 6.647 1.00 0.00 H new ATOM 843 N ASN A 57 10.691 -4.736 8.960 1.00 0.00 N ATOM 844 CA ASN A 57 11.508 -3.672 9.534 1.00 0.00 C ATOM 845 C ASN A 57 12.793 -3.481 8.734 1.00 0.00 C ATOM 846 O ASN A 57 13.893 -3.533 9.285 1.00 0.00 O ATOM 847 CB ASN A 57 11.844 -3.989 10.992 1.00 0.00 C ATOM 848 CG ASN A 57 12.608 -2.866 11.667 1.00 0.00 C ATOM 849 OD1 ASN A 57 12.104 -1.750 11.798 1.00 0.00 O ATOM 850 ND2 ASN A 57 13.829 -3.157 12.099 1.00 0.00 N ATOM 0 H ASN A 57 9.809 -4.420 8.557 1.00 0.00 H new ATOM 0 HA ASN A 57 10.935 -2.746 9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.922 -4.179 11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.435 -4.904 11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.390 -2.442 12.561 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.206 -4.096 11.969 1.00 0.00 H new ATOM 857 N ILE A 58 12.645 -3.261 7.432 1.00 0.00 N ATOM 858 CA ILE A 58 13.793 -3.061 6.557 1.00 0.00 C ATOM 859 C ILE A 58 13.789 -1.659 5.957 1.00 0.00 C ATOM 860 O ILE A 58 12.747 -1.152 5.541 1.00 0.00 O ATOM 861 CB ILE A 58 13.819 -4.095 5.416 1.00 0.00 C ATOM 862 CG1 ILE A 58 12.629 -3.881 4.478 1.00 0.00 C ATOM 863 CG2 ILE A 58 13.807 -5.507 5.981 1.00 0.00 C ATOM 864 CD1 ILE A 58 12.645 -4.785 3.265 1.00 0.00 C ATOM 0 H ILE A 58 11.742 -3.217 6.960 1.00 0.00 H new ATOM 0 HA ILE A 58 14.684 -3.188 7.172 1.00 0.00 H new ATOM 0 HB ILE A 58 14.737 -3.961 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.705 -4.047 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.620 -2.843 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.826 -6.227 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 58 14.683 -5.653 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.904 -5.654 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.772 -4.578 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.551 -4.603 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.623 -5.826 3.587 1.00 0.00 H new ATOM 876 N VAL A 59 14.963 -1.036 5.913 1.00 0.00 N ATOM 877 CA VAL A 59 15.096 0.307 5.361 1.00 0.00 C ATOM 878 C VAL A 59 14.694 0.339 3.890 1.00 0.00 C ATOM 879 O VAL A 59 15.528 0.155 3.003 1.00 0.00 O ATOM 880 CB VAL A 59 16.538 0.830 5.499 1.00 0.00 C ATOM 881 CG1 VAL A 59 16.669 2.209 4.869 1.00 0.00 C ATOM 882 CG2 VAL A 59 16.955 0.861 6.961 1.00 0.00 C ATOM 0 H VAL A 59 15.836 -1.440 6.253 1.00 0.00 H new ATOM 0 HA VAL A 59 14.427 0.952 5.932 1.00 0.00 H new ATOM 0 HB VAL A 59 17.205 0.150 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.695 2.562 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.414 2.151 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.992 2.903 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.976 1.233 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.286 1.518 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.902 -0.146 7.376 1.00 0.00 H new ATOM 892 N VAL A 60 13.410 0.574 3.638 1.00 0.00 N ATOM 893 CA VAL A 60 12.897 0.632 2.275 1.00 0.00 C ATOM 894 C VAL A 60 13.015 2.040 1.703 1.00 0.00 C ATOM 895 O VAL A 60 12.633 3.018 2.347 1.00 0.00 O ATOM 896 CB VAL A 60 11.424 0.186 2.210 1.00 0.00 C ATOM 897 CG1 VAL A 60 10.881 0.341 0.798 1.00 0.00 C ATOM 898 CG2 VAL A 60 11.282 -1.251 2.690 1.00 0.00 C ATOM 0 H VAL A 60 12.706 0.727 4.360 1.00 0.00 H new ATOM 0 HA VAL A 60 13.503 -0.051 1.680 1.00 0.00 H new ATOM 0 HB VAL A 60 10.839 0.826 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.839 0.021 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.947 1.386 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 11.467 -0.273 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.235 -1.550 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.879 -1.907 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.630 -1.327 3.720 1.00 0.00 H new ATOM 908 N HIS A 61 13.547 2.137 0.488 1.00 0.00 N ATOM 909 CA HIS A 61 13.715 3.427 -0.172 1.00 0.00 C ATOM 910 C HIS A 61 12.368 4.119 -0.363 1.00 0.00 C ATOM 911 O HIS A 61 11.321 3.557 -0.043 1.00 0.00 O ATOM 912 CB HIS A 61 14.403 3.244 -1.525 1.00 0.00 C ATOM 913 CG HIS A 61 15.774 2.650 -1.424 1.00 0.00 C ATOM 914 ND1 HIS A 61 16.908 3.291 -1.879 1.00 0.00 N ATOM 915 CD2 HIS A 61 16.191 1.468 -0.915 1.00 0.00 C ATOM 916 CE1 HIS A 61 17.962 2.528 -1.656 1.00 0.00 C ATOM 917 NE2 HIS A 61 17.555 1.415 -1.071 1.00 0.00 N ATOM 0 H HIS A 61 13.869 1.338 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 61 14.339 4.055 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.784 2.604 -2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.471 4.211 -2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 61 15.568 0.707 -0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 61 18.983 2.772 -1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.156 0.643 -0.782 1.00 0.00 H new ATOM 925 N GLN A 62 12.405 5.341 -0.884 1.00 0.00 N ATOM 926 CA GLN A 62 11.188 6.110 -1.115 1.00 0.00 C ATOM 927 C GLN A 62 11.163 6.677 -2.530 1.00 0.00 C ATOM 928 O GLN A 62 11.899 7.611 -2.850 1.00 0.00 O ATOM 929 CB GLN A 62 11.075 7.244 -0.095 1.00 0.00 C ATOM 930 CG GLN A 62 9.894 8.169 -0.343 1.00 0.00 C ATOM 931 CD GLN A 62 8.567 7.437 -0.330 1.00 0.00 C ATOM 932 OE1 GLN A 62 7.995 7.147 -1.381 1.00 0.00 O ATOM 933 NE2 GLN A 62 8.069 7.134 0.863 1.00 0.00 N ATOM 0 H GLN A 62 13.264 5.820 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 62 10.336 5.440 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.987 6.816 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.994 7.829 -0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.882 8.949 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.022 8.665 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.577 7.394 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.179 6.642 0.934 1.00 0.00 H new ATOM 942 N THR A 63 10.310 6.107 -3.376 1.00 0.00 N ATOM 943 CA THR A 63 10.190 6.555 -4.758 1.00 0.00 C ATOM 944 C THR A 63 8.743 6.890 -5.103 1.00 0.00 C ATOM 945 O THR A 63 7.813 6.306 -4.549 1.00 0.00 O ATOM 946 CB THR A 63 10.706 5.488 -5.741 1.00 0.00 C ATOM 947 OG1 THR A 63 10.028 4.247 -5.519 1.00 0.00 O ATOM 948 CG2 THR A 63 12.206 5.287 -5.583 1.00 0.00 C ATOM 0 H THR A 63 9.692 5.334 -3.128 1.00 0.00 H new ATOM 0 HA THR A 63 10.801 7.452 -4.854 1.00 0.00 H new ATOM 0 HB THR A 63 10.506 5.834 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.361 3.575 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.548 4.529 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.722 6.226 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.424 4.962 -4.566 1.00 0.00 H new ATOM 956 N GLN A 64 8.563 7.833 -6.022 1.00 0.00 N ATOM 957 CA GLN A 64 7.228 8.245 -6.441 1.00 0.00 C ATOM 958 C GLN A 64 7.130 8.311 -7.961 1.00 0.00 C ATOM 959 O GLN A 64 8.118 8.532 -8.662 1.00 0.00 O ATOM 960 CB GLN A 64 6.879 9.607 -5.837 1.00 0.00 C ATOM 961 CG GLN A 64 7.762 10.739 -6.336 1.00 0.00 C ATOM 962 CD GLN A 64 7.229 12.106 -5.954 1.00 0.00 C ATOM 963 OE1 GLN A 64 7.351 12.534 -4.806 1.00 0.00 O ATOM 964 NE2 GLN A 64 6.635 12.800 -6.918 1.00 0.00 N ATOM 0 H GLN A 64 9.323 8.326 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 64 6.517 7.502 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.839 9.841 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.960 9.545 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.766 10.618 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.848 10.677 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.556 12.406 -7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.258 13.727 -6.721 1.00 0.00 H new ATOM 973 N PRO A 65 5.912 8.113 -8.485 1.00 0.00 N ATOM 974 CA PRO A 65 5.656 8.145 -9.929 1.00 0.00 C ATOM 975 C PRO A 65 5.786 9.549 -10.509 1.00 0.00 C ATOM 976 O PRO A 65 5.860 10.533 -9.772 1.00 0.00 O ATOM 977 CB PRO A 65 4.212 7.650 -10.044 1.00 0.00 C ATOM 978 CG PRO A 65 3.593 7.979 -8.730 1.00 0.00 C ATOM 979 CD PRO A 65 4.689 7.844 -7.710 1.00 0.00 C ATOM 0 HA PRO A 65 6.373 7.541 -10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.688 8.143 -10.863 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.175 6.579 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.185 8.990 -8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.767 7.303 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.567 8.555 -6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.705 6.848 -7.267 1.00 0.00 H new ATOM 987 N LEU A 66 5.813 9.635 -11.835 1.00 0.00 N ATOM 988 CA LEU A 66 5.933 10.920 -12.515 1.00 0.00 C ATOM 989 C LEU A 66 4.605 11.330 -13.144 1.00 0.00 C ATOM 990 O LEU A 66 4.568 11.837 -14.265 1.00 0.00 O ATOM 991 CB LEU A 66 7.019 10.850 -13.590 1.00 0.00 C ATOM 992 CG LEU A 66 7.763 12.155 -13.879 1.00 0.00 C ATOM 993 CD1 LEU A 66 8.958 12.304 -12.949 1.00 0.00 C ATOM 994 CD2 LEU A 66 8.208 12.205 -15.333 1.00 0.00 C ATOM 0 H LEU A 66 5.753 8.831 -12.460 1.00 0.00 H new ATOM 0 HA LEU A 66 6.210 11.671 -11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.749 10.097 -13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.563 10.502 -14.517 1.00 0.00 H new ATOM 0 HG LEU A 66 7.082 12.987 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.476 13.238 -13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.615 12.314 -11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.641 11.467 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.735 13.140 -15.520 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.873 11.366 -15.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.335 12.144 -15.983 1.00 0.00 H new ATOM 1006 N SER A 67 3.517 11.109 -12.413 1.00 0.00 N ATOM 1007 CA SER A 67 2.186 11.454 -12.899 1.00 0.00 C ATOM 1008 C SER A 67 1.498 12.431 -11.952 1.00 0.00 C ATOM 1009 O SER A 67 1.734 12.414 -10.745 1.00 0.00 O ATOM 1010 CB SER A 67 1.335 10.192 -13.056 1.00 0.00 C ATOM 1011 OG SER A 67 1.631 9.524 -14.269 1.00 0.00 O ATOM 0 H SER A 67 3.531 10.693 -11.482 1.00 0.00 H new ATOM 0 HA SER A 67 2.294 11.934 -13.872 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.515 9.522 -12.215 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.278 10.457 -13.032 1.00 0.00 H new ATOM 0 HG SER A 67 1.075 8.720 -14.344 1.00 0.00 H new ATOM 1017 N GLY A 68 0.645 13.285 -12.510 1.00 0.00 N ATOM 1018 CA GLY A 68 -0.065 14.259 -11.701 1.00 0.00 C ATOM 1019 C GLY A 68 -1.167 13.631 -10.872 1.00 0.00 C ATOM 1020 O GLY A 68 -1.846 12.700 -11.306 1.00 0.00 O ATOM 0 H GLY A 68 0.433 13.320 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.641 14.762 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.493 15.023 -12.350 1.00 0.00 H new ATOM 1024 N PRO A 69 -1.357 14.145 -9.647 1.00 0.00 N ATOM 1025 CA PRO A 69 -2.384 13.642 -8.729 1.00 0.00 C ATOM 1026 C PRO A 69 -3.795 13.980 -9.197 1.00 0.00 C ATOM 1027 O PRO A 69 -4.760 13.827 -8.448 1.00 0.00 O ATOM 1028 CB PRO A 69 -2.068 14.363 -7.416 1.00 0.00 C ATOM 1029 CG PRO A 69 -1.363 15.609 -7.828 1.00 0.00 C ATOM 1030 CD PRO A 69 -0.585 15.255 -9.065 1.00 0.00 C ATOM 0 HA PRO A 69 -2.364 12.555 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.978 14.588 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.442 13.750 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.073 16.411 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.700 15.962 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.515 16.099 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.435 14.953 -8.826 1.00 0.00 H new ATOM 1038 N SER A 70 -3.908 14.440 -10.439 1.00 0.00 N ATOM 1039 CA SER A 70 -5.202 14.803 -11.005 1.00 0.00 C ATOM 1040 C SER A 70 -6.323 13.993 -10.361 1.00 0.00 C ATOM 1041 O SER A 70 -6.593 12.859 -10.758 1.00 0.00 O ATOM 1042 CB SER A 70 -5.201 14.579 -12.518 1.00 0.00 C ATOM 1043 OG SER A 70 -6.376 15.103 -13.112 1.00 0.00 O ATOM 0 H SER A 70 -3.119 14.570 -11.072 1.00 0.00 H new ATOM 0 HA SER A 70 -5.377 15.859 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.324 15.054 -12.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.127 13.513 -12.731 1.00 0.00 H new ATOM 0 HG SER A 70 -6.350 14.949 -14.079 1.00 0.00 H new ATOM 1049 N SER A 71 -6.973 14.583 -9.363 1.00 0.00 N ATOM 1050 CA SER A 71 -8.063 13.916 -8.660 1.00 0.00 C ATOM 1051 C SER A 71 -9.416 14.411 -9.161 1.00 0.00 C ATOM 1052 O SER A 71 -9.490 15.317 -9.990 1.00 0.00 O ATOM 1053 CB SER A 71 -7.947 14.155 -7.153 1.00 0.00 C ATOM 1054 OG SER A 71 -6.677 13.753 -6.669 1.00 0.00 O ATOM 0 H SER A 71 -6.764 15.522 -9.023 1.00 0.00 H new ATOM 0 HA SER A 71 -7.990 12.847 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.105 15.211 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.729 13.603 -6.633 1.00 0.00 H new ATOM 0 HG SER A 71 -6.121 13.454 -7.419 1.00 0.00 H new ATOM 1060 N GLY A 72 -10.486 13.807 -8.653 1.00 0.00 N ATOM 1061 CA GLY A 72 -11.823 14.198 -9.060 1.00 0.00 C ATOM 1062 C GLY A 72 -12.886 13.243 -8.554 1.00 0.00 C ATOM 1063 O GLY A 72 -12.584 12.070 -8.338 1.00 0.00 O ATOM 0 H GLY A 72 -10.451 13.053 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.034 15.201 -8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.869 14.245 -10.148 1.00 0.00 H new TER 1067 GLY A 72 HETATM 1068 ZN ZN A 201 -3.715 0.005 5.475 1.00 0.00 ZN HETATM 1069 ZN ZN A 401 8.164 -5.834 4.988 1.00 0.00 ZN