USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 55 THR OG1 : rot 180:sc= 0.0283 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0.012 USER MOD Set 2.1: A 21 THR OG1 : rot 90:sc= 0.624 USER MOD Set 2.2: A 22 ASN : amide:sc= -0.465 X(o=0.16,f=0.047) USER MOD Single : A 1 LEU N :NH3+ 126:sc= 0.52 (180deg=0.091) USER MOD Single : A 4 HIS : no HE2:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 5 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.23) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 122:sc= 0.0642 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0798) USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.253 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 33:sc= 1.05 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.084) USER MOD Single : A 60 ASN : amide:sc= 0.12 K(o=0.12,f=-6.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.559 -11.435 7.482 1.00 0.00 N ATOM 2 CA LEU A 1 -7.153 -11.212 7.064 1.00 0.00 C ATOM 3 C LEU A 1 -6.898 -9.963 7.883 1.00 0.00 C ATOM 4 O LEU A 1 -7.872 -9.308 8.220 1.00 0.00 O ATOM 5 CB LEU A 1 -7.031 -10.879 5.552 1.00 0.00 C ATOM 6 CG LEU A 1 -5.854 -11.664 4.858 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.115 -13.205 4.745 1.00 0.00 C ATOM 8 CD2 LEU A 1 -5.598 -11.085 3.427 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.164 -11.507 6.639 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.622 -12.316 8.030 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.877 -10.638 8.070 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.484 -12.060 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.969 -11.120 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.871 -9.808 5.430 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.980 -11.530 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -5.265 -13.683 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.246 -13.626 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.016 -13.379 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -4.783 -11.632 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -6.502 -11.188 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -5.331 -10.031 3.503 1.00 0.00 H new ATOM 22 N GLU A 2 -5.673 -9.650 8.183 1.00 0.00 N ATOM 23 CA GLU A 2 -5.379 -8.430 8.985 1.00 0.00 C ATOM 24 C GLU A 2 -4.143 -7.893 8.299 1.00 0.00 C ATOM 25 O GLU A 2 -3.404 -8.755 7.859 1.00 0.00 O ATOM 26 CB GLU A 2 -4.946 -8.717 10.434 1.00 0.00 C ATOM 27 CG GLU A 2 -5.969 -9.544 11.237 1.00 0.00 C ATOM 28 CD GLU A 2 -5.565 -9.483 12.723 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.650 -10.202 13.094 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.203 -8.701 13.408 1.00 0.00 O ATOM 0 H GLU A 2 -4.854 -10.190 7.906 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.262 -7.793 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.994 -9.248 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.776 -7.770 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.974 -9.146 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.984 -10.576 10.888 1.00 0.00 H new ATOM 37 N CYS A 3 -3.951 -6.595 8.229 1.00 0.00 N ATOM 38 CA CYS A 3 -2.723 -6.056 7.565 1.00 0.00 C ATOM 39 C CYS A 3 -2.324 -4.745 8.239 1.00 0.00 C ATOM 40 O CYS A 3 -3.084 -4.199 9.028 1.00 0.00 O ATOM 41 CB CYS A 3 -2.928 -5.787 6.044 1.00 0.00 C ATOM 42 SG CYS A 3 -2.580 -7.232 5.001 1.00 0.00 S ATOM 0 H CYS A 3 -4.588 -5.891 8.601 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.945 -6.812 7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.956 -5.466 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.282 -4.964 5.738 1.00 0.00 H new ATOM 47 N HIS A 4 -1.155 -4.274 7.888 1.00 0.00 N ATOM 48 CA HIS A 4 -0.595 -3.005 8.462 1.00 0.00 C ATOM 49 C HIS A 4 -0.883 -1.865 7.511 1.00 0.00 C ATOM 50 O HIS A 4 -1.056 -2.126 6.341 1.00 0.00 O ATOM 51 CB HIS A 4 0.930 -3.087 8.587 1.00 0.00 C ATOM 52 CG HIS A 4 1.368 -4.373 9.317 1.00 0.00 C ATOM 53 ND1 HIS A 4 1.254 -4.583 10.592 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.948 -5.550 8.833 1.00 0.00 C ATOM 55 CE1 HIS A 4 1.709 -5.759 10.883 1.00 0.00 C ATOM 56 NE2 HIS A 4 2.149 -6.394 9.826 1.00 0.00 N ATOM 0 H HIS A 4 -0.545 -4.727 7.208 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.050 -2.852 9.441 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.380 -3.060 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.299 -2.216 9.128 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.865 -3.921 11.264 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.195 -5.740 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.724 -6.169 11.882 1.00 0.00 H new ATOM 64 N ASN A 5 -0.937 -0.643 7.974 1.00 0.00 N ATOM 65 CA ASN A 5 -1.212 0.480 7.025 1.00 0.00 C ATOM 66 C ASN A 5 -0.454 1.668 7.571 1.00 0.00 C ATOM 67 O ASN A 5 -1.011 2.684 7.923 1.00 0.00 O ATOM 68 CB ASN A 5 -2.749 0.884 6.903 1.00 0.00 C ATOM 69 CG ASN A 5 -3.530 1.247 8.192 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.822 2.393 8.468 1.00 0.00 O ATOM 71 ND2 ASN A 5 -3.907 0.305 9.023 1.00 0.00 N ATOM 0 H ASN A 5 -0.806 -0.375 8.949 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.909 0.166 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.814 1.736 6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.271 0.056 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.427 0.547 9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.680 -0.670 8.826 1.00 0.00 H new ATOM 78 N GLN A 6 0.833 1.498 7.644 1.00 0.00 N ATOM 79 CA GLN A 6 1.729 2.578 8.156 1.00 0.00 C ATOM 80 C GLN A 6 2.056 3.376 6.884 1.00 0.00 C ATOM 81 O GLN A 6 2.065 2.766 5.833 1.00 0.00 O ATOM 82 CB GLN A 6 3.013 1.934 8.761 1.00 0.00 C ATOM 83 CG GLN A 6 2.786 1.450 10.192 1.00 0.00 C ATOM 84 CD GLN A 6 3.850 0.378 10.474 1.00 0.00 C ATOM 85 OE1 GLN A 6 3.606 -0.787 10.231 1.00 0.00 O ATOM 86 NE2 GLN A 6 5.020 0.696 10.961 1.00 0.00 N ATOM 0 H GLN A 6 1.314 0.643 7.367 1.00 0.00 H new ATOM 0 HA GLN A 6 1.291 3.196 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.326 1.095 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.825 2.661 8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.874 2.276 10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.783 1.038 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.238 1.670 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.715 -0.030 11.133 1.00 0.00 H new ATOM 95 N GLN A 7 2.317 4.662 6.992 1.00 0.00 N ATOM 96 CA GLN A 7 2.642 5.540 5.809 1.00 0.00 C ATOM 97 C GLN A 7 3.857 6.423 6.126 1.00 0.00 C ATOM 98 O GLN A 7 3.985 6.739 7.286 1.00 0.00 O ATOM 99 CB GLN A 7 1.509 6.509 5.510 1.00 0.00 C ATOM 100 CG GLN A 7 0.300 5.812 4.904 1.00 0.00 C ATOM 101 CD GLN A 7 -0.912 6.683 5.260 1.00 0.00 C ATOM 102 OE1 GLN A 7 -1.882 6.194 5.793 1.00 0.00 O ATOM 103 NE2 GLN A 7 -0.919 7.964 5.002 1.00 0.00 N ATOM 0 H GLN A 7 2.318 5.158 7.883 1.00 0.00 H new ATOM 0 HA GLN A 7 2.821 4.871 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.212 7.013 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.863 7.279 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.407 5.714 3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 7 0.188 4.805 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.113 8.398 4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.731 8.530 5.249 1.00 0.00 H new ATOM 112 N SER A 8 4.652 6.787 5.154 1.00 0.00 N ATOM 113 CA SER A 8 5.865 7.650 5.289 1.00 0.00 C ATOM 114 C SER A 8 6.420 8.166 6.645 1.00 0.00 C ATOM 115 O SER A 8 7.586 7.978 6.911 1.00 0.00 O ATOM 116 CB SER A 8 5.622 8.834 4.376 1.00 0.00 C ATOM 117 OG SER A 8 5.135 8.214 3.186 1.00 0.00 O ATOM 0 H SER A 8 4.491 6.493 4.191 1.00 0.00 H new ATOM 0 HA SER A 8 6.667 6.950 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.896 9.529 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.536 9.400 4.194 1.00 0.00 H new ATOM 0 HG SER A 8 4.940 8.901 2.515 1.00 0.00 H new ATOM 123 N SER A 9 5.627 8.797 7.458 1.00 0.00 N ATOM 124 CA SER A 9 6.154 9.304 8.743 1.00 0.00 C ATOM 125 C SER A 9 6.403 8.089 9.624 1.00 0.00 C ATOM 126 O SER A 9 7.271 8.094 10.470 1.00 0.00 O ATOM 127 CB SER A 9 5.095 10.240 9.249 1.00 0.00 C ATOM 128 OG SER A 9 4.677 10.856 8.026 1.00 0.00 O ATOM 0 H SER A 9 4.639 8.982 7.286 1.00 0.00 H new ATOM 0 HA SER A 9 7.097 9.848 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.281 9.713 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.489 10.963 9.963 1.00 0.00 H new ATOM 0 HG SER A 9 3.968 11.506 8.213 1.00 0.00 H new ATOM 134 N GLN A 10 5.580 7.115 9.380 1.00 0.00 N ATOM 135 CA GLN A 10 5.596 5.791 10.059 1.00 0.00 C ATOM 136 C GLN A 10 5.172 5.454 11.513 1.00 0.00 C ATOM 137 O GLN A 10 5.814 4.586 12.070 1.00 0.00 O ATOM 138 CB GLN A 10 7.025 5.255 9.839 1.00 0.00 C ATOM 139 CG GLN A 10 7.026 3.778 9.478 1.00 0.00 C ATOM 140 CD GLN A 10 8.441 3.258 9.745 1.00 0.00 C ATOM 141 OE1 GLN A 10 9.301 3.278 8.888 1.00 0.00 O ATOM 142 NE2 GLN A 10 8.723 2.790 10.931 1.00 0.00 N ATOM 0 H GLN A 10 4.840 7.192 8.682 1.00 0.00 H new ATOM 0 HA GLN A 10 4.715 5.346 9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.508 5.824 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.614 5.408 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.295 3.234 10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.753 3.635 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.005 2.770 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.661 2.444 11.133 1.00 0.00 H new ATOM 151 N PRO A 11 4.189 6.048 12.133 1.00 0.00 N ATOM 152 CA PRO A 11 3.828 5.650 13.527 1.00 0.00 C ATOM 153 C PRO A 11 3.026 4.346 13.286 1.00 0.00 C ATOM 154 O PRO A 11 2.586 4.185 12.169 1.00 0.00 O ATOM 155 CB PRO A 11 2.997 6.813 14.051 1.00 0.00 C ATOM 156 CG PRO A 11 2.332 7.412 12.760 1.00 0.00 C ATOM 157 CD PRO A 11 3.359 7.150 11.603 1.00 0.00 C ATOM 0 HA PRO A 11 4.624 5.467 14.248 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.248 6.478 14.768 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.618 7.550 14.560 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.375 6.933 12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.136 8.478 12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.859 6.868 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.956 8.036 11.386 1.00 0.00 H new ATOM 165 N PRO A 12 2.832 3.467 14.241 1.00 0.00 N ATOM 166 CA PRO A 12 2.061 2.197 14.017 1.00 0.00 C ATOM 167 C PRO A 12 0.513 2.157 13.858 1.00 0.00 C ATOM 168 O PRO A 12 -0.157 2.637 14.756 1.00 0.00 O ATOM 169 CB PRO A 12 2.475 1.308 15.182 1.00 0.00 C ATOM 170 CG PRO A 12 2.749 2.326 16.353 1.00 0.00 C ATOM 171 CD PRO A 12 3.356 3.580 15.634 1.00 0.00 C ATOM 0 HA PRO A 12 2.323 1.902 13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.689 0.600 15.444 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.364 0.724 14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.832 2.577 16.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.441 1.913 17.087 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.038 4.508 16.109 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.446 3.567 15.656 1.00 0.00 H new ATOM 179 N THR A 13 0.004 1.606 12.772 1.00 0.00 N ATOM 180 CA THR A 13 -1.469 1.516 12.560 1.00 0.00 C ATOM 181 C THR A 13 -1.893 0.113 11.923 1.00 0.00 C ATOM 182 O THR A 13 -1.145 -0.388 11.093 1.00 0.00 O ATOM 183 CB THR A 13 -1.733 2.720 11.679 1.00 0.00 C ATOM 184 OG1 THR A 13 -0.436 2.907 11.101 1.00 0.00 O ATOM 185 CG2 THR A 13 -2.053 3.996 12.506 1.00 0.00 C ATOM 0 H THR A 13 0.564 1.211 12.017 1.00 0.00 H new ATOM 0 HA THR A 13 -2.066 1.541 13.472 1.00 0.00 H new ATOM 0 HB THR A 13 -2.571 2.569 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.502 2.855 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.235 4.832 11.830 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.940 3.822 13.115 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.209 4.231 13.154 1.00 0.00 H new ATOM 193 N THR A 14 -3.014 -0.492 12.270 1.00 0.00 N ATOM 194 CA THR A 14 -3.408 -1.800 11.663 1.00 0.00 C ATOM 195 C THR A 14 -4.942 -1.787 11.307 1.00 0.00 C ATOM 196 O THR A 14 -5.614 -0.924 11.841 1.00 0.00 O ATOM 197 CB THR A 14 -3.020 -2.778 12.734 1.00 0.00 C ATOM 198 OG1 THR A 14 -2.776 -1.854 13.803 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.654 -3.446 12.424 1.00 0.00 C ATOM 0 H THR A 14 -3.674 -0.126 12.956 1.00 0.00 H new ATOM 0 HA THR A 14 -2.929 -2.046 10.716 1.00 0.00 H new ATOM 0 HB THR A 14 -3.748 -3.574 12.888 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.505 -2.347 14.606 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.403 -4.148 13.219 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.717 -3.979 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.881 -2.680 12.359 1.00 0.00 H new ATOM 207 N LYS A 15 -5.448 -2.675 10.465 1.00 0.00 N ATOM 208 CA LYS A 15 -6.914 -2.704 10.102 1.00 0.00 C ATOM 209 C LYS A 15 -7.277 -4.185 9.857 1.00 0.00 C ATOM 210 O LYS A 15 -6.349 -4.949 9.637 1.00 0.00 O ATOM 211 CB LYS A 15 -7.192 -1.915 8.801 1.00 0.00 C ATOM 212 CG LYS A 15 -7.558 -0.432 9.114 1.00 0.00 C ATOM 213 CD LYS A 15 -9.108 -0.319 9.159 1.00 0.00 C ATOM 214 CE LYS A 15 -9.547 1.081 9.616 1.00 0.00 C ATOM 215 NZ LYS A 15 -9.280 1.247 11.072 1.00 0.00 N ATOM 0 H LYS A 15 -4.892 -3.396 10.005 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.500 -2.251 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.313 -1.948 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.008 -2.387 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.126 -0.126 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.150 0.231 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.520 -0.529 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.511 -1.070 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.010 1.842 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.609 1.223 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.743 2.113 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.655 0.427 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.255 1.317 11.231 1.00 0.00 H new ATOM 229 N THR A 16 -8.543 -4.543 9.889 1.00 0.00 N ATOM 230 CA THR A 16 -8.956 -5.951 9.665 1.00 0.00 C ATOM 231 C THR A 16 -9.967 -6.040 8.472 1.00 0.00 C ATOM 232 O THR A 16 -10.857 -5.207 8.460 1.00 0.00 O ATOM 233 CB THR A 16 -9.548 -6.354 11.013 1.00 0.00 C ATOM 234 OG1 THR A 16 -10.374 -5.227 11.315 1.00 0.00 O ATOM 235 CG2 THR A 16 -8.496 -6.322 12.156 1.00 0.00 C ATOM 0 H THR A 16 -9.314 -3.899 10.065 1.00 0.00 H new ATOM 0 HA THR A 16 -8.148 -6.622 9.374 1.00 0.00 H new ATOM 0 HB THR A 16 -9.998 -7.345 10.954 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.896 -4.983 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.968 -6.617 13.093 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.686 -7.014 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.095 -5.313 12.253 1.00 0.00 H new ATOM 243 N CYS A 17 -9.852 -6.980 7.556 1.00 0.00 N ATOM 244 CA CYS A 17 -10.830 -7.052 6.419 1.00 0.00 C ATOM 245 C CYS A 17 -11.247 -8.521 6.101 1.00 0.00 C ATOM 246 O CYS A 17 -11.042 -8.957 4.986 1.00 0.00 O ATOM 247 CB CYS A 17 -10.196 -6.426 5.120 1.00 0.00 C ATOM 248 SG CYS A 17 -9.687 -4.674 5.108 1.00 0.00 S ATOM 0 H CYS A 17 -9.126 -7.696 7.548 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.715 -6.493 6.724 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.318 -7.021 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.914 -6.561 4.311 1.00 0.00 H new ATOM 253 N PRO A 18 -11.808 -9.285 7.006 1.00 0.00 N ATOM 254 CA PRO A 18 -12.198 -10.689 6.700 1.00 0.00 C ATOM 255 C PRO A 18 -13.271 -10.829 5.632 1.00 0.00 C ATOM 256 O PRO A 18 -14.444 -10.750 5.938 1.00 0.00 O ATOM 257 CB PRO A 18 -12.653 -11.288 8.026 1.00 0.00 C ATOM 258 CG PRO A 18 -13.127 -10.047 8.844 1.00 0.00 C ATOM 259 CD PRO A 18 -12.150 -8.903 8.403 1.00 0.00 C ATOM 0 HA PRO A 18 -11.345 -11.215 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.459 -12.008 7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.841 -11.813 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.163 -9.794 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.068 -10.230 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.626 -7.924 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.266 -8.858 9.039 1.00 0.00 H new ATOM 267 N GLY A 19 -12.866 -11.038 4.424 1.00 0.00 N ATOM 268 CA GLY A 19 -13.864 -11.180 3.374 1.00 0.00 C ATOM 269 C GLY A 19 -13.023 -10.983 2.135 1.00 0.00 C ATOM 270 O GLY A 19 -13.246 -11.625 1.130 1.00 0.00 O ATOM 0 H GLY A 19 -11.893 -11.115 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.344 -12.158 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.655 -10.435 3.456 1.00 0.00 H new ATOM 274 N GLU A 20 -12.054 -10.112 2.216 1.00 0.00 N ATOM 275 CA GLU A 20 -11.223 -9.900 0.999 1.00 0.00 C ATOM 276 C GLU A 20 -10.146 -10.959 1.019 1.00 0.00 C ATOM 277 O GLU A 20 -9.914 -11.536 2.063 1.00 0.00 O ATOM 278 CB GLU A 20 -10.537 -8.534 1.023 1.00 0.00 C ATOM 279 CG GLU A 20 -11.551 -7.385 0.855 1.00 0.00 C ATOM 280 CD GLU A 20 -11.421 -6.832 -0.571 1.00 0.00 C ATOM 281 OE1 GLU A 20 -11.671 -7.604 -1.482 1.00 0.00 O ATOM 282 OE2 GLU A 20 -11.074 -5.665 -0.665 1.00 0.00 O ATOM 0 H GLU A 20 -11.808 -9.558 3.037 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.855 -9.952 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.001 -8.412 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.796 -8.485 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.565 -7.744 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.359 -6.599 1.586 1.00 0.00 H new ATOM 289 N THR A 21 -9.532 -11.146 -0.113 1.00 0.00 N ATOM 290 CA THR A 21 -8.468 -12.143 -0.261 1.00 0.00 C ATOM 291 C THR A 21 -7.009 -11.625 -0.251 1.00 0.00 C ATOM 292 O THR A 21 -6.122 -12.290 0.247 1.00 0.00 O ATOM 293 CB THR A 21 -8.751 -12.830 -1.583 1.00 0.00 C ATOM 294 OG1 THR A 21 -9.197 -11.695 -2.340 1.00 0.00 O ATOM 295 CG2 THR A 21 -9.946 -13.821 -1.571 1.00 0.00 C ATOM 0 H THR A 21 -9.740 -10.624 -0.965 1.00 0.00 H new ATOM 0 HA THR A 21 -8.502 -12.788 0.617 1.00 0.00 H new ATOM 0 HB THR A 21 -7.893 -13.411 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.431 -11.278 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.066 -14.259 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.756 -14.612 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.857 -13.289 -1.297 1.00 0.00 H new ATOM 303 N ASN A 22 -6.793 -10.459 -0.805 1.00 0.00 N ATOM 304 CA ASN A 22 -5.394 -9.908 -0.869 1.00 0.00 C ATOM 305 C ASN A 22 -5.181 -8.553 -0.223 1.00 0.00 C ATOM 306 O ASN A 22 -6.166 -7.898 0.067 1.00 0.00 O ATOM 307 CB ASN A 22 -4.972 -9.720 -2.316 1.00 0.00 C ATOM 308 CG ASN A 22 -5.731 -10.717 -3.219 1.00 0.00 C ATOM 309 OD1 ASN A 22 -6.826 -10.453 -3.693 1.00 0.00 O ATOM 310 ND2 ASN A 22 -5.218 -11.888 -3.485 1.00 0.00 N ATOM 0 H ASN A 22 -7.514 -9.865 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.813 -10.648 -0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.178 -8.698 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.897 -9.873 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.729 -12.548 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.306 -12.143 -3.107 1.00 0.00 H new ATOM 317 N CYS A 23 -3.923 -8.184 -0.043 1.00 0.00 N ATOM 318 CA CYS A 23 -3.545 -6.852 0.576 1.00 0.00 C ATOM 319 C CYS A 23 -2.551 -6.213 -0.423 1.00 0.00 C ATOM 320 O CYS A 23 -1.925 -6.997 -1.126 1.00 0.00 O ATOM 321 CB CYS A 23 -2.827 -7.015 1.949 1.00 0.00 C ATOM 322 SG CYS A 23 -3.849 -7.279 3.427 1.00 0.00 S ATOM 0 H CYS A 23 -3.124 -8.762 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.439 -6.255 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.138 -7.855 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.223 -6.123 2.117 1.00 0.00 H new ATOM 327 N TYR A 24 -2.417 -4.885 -0.443 1.00 0.00 N ATOM 328 CA TYR A 24 -1.474 -4.186 -1.419 1.00 0.00 C ATOM 329 C TYR A 24 -0.407 -3.180 -0.925 1.00 0.00 C ATOM 330 O TYR A 24 -0.471 -2.734 0.210 1.00 0.00 O ATOM 331 CB TYR A 24 -2.268 -3.365 -2.517 1.00 0.00 C ATOM 332 CG TYR A 24 -2.995 -2.018 -2.119 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.305 -0.812 -2.158 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.338 -1.957 -1.751 1.00 0.00 C ATOM 335 CE1 TYR A 24 -2.918 0.389 -1.853 1.00 0.00 C ATOM 336 CE2 TYR A 24 -4.954 -0.757 -1.445 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.251 0.433 -1.493 1.00 0.00 C ATOM 338 OH TYR A 24 -4.866 1.636 -1.202 1.00 0.00 O ATOM 0 H TYR A 24 -2.923 -4.253 0.178 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.937 -5.075 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.567 -3.131 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.023 -4.030 -2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.261 -0.813 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.912 -2.870 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.347 1.305 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.997 -0.749 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.805 1.476 -0.970 1.00 0.00 H new ATOM 348 N LYS A 25 0.536 -2.854 -1.804 1.00 0.00 N ATOM 349 CA LYS A 25 1.652 -1.879 -1.507 1.00 0.00 C ATOM 350 C LYS A 25 1.679 -1.015 -2.806 1.00 0.00 C ATOM 351 O LYS A 25 1.497 -1.634 -3.845 1.00 0.00 O ATOM 352 CB LYS A 25 3.080 -2.512 -1.418 1.00 0.00 C ATOM 353 CG LYS A 25 3.147 -3.922 -0.736 1.00 0.00 C ATOM 354 CD LYS A 25 4.642 -4.264 -0.381 1.00 0.00 C ATOM 355 CE LYS A 25 4.788 -5.762 -0.016 1.00 0.00 C ATOM 356 NZ LYS A 25 6.140 -6.033 0.563 1.00 0.00 N ATOM 0 H LYS A 25 0.574 -3.241 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 25 1.463 -1.391 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.486 -2.595 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.728 -1.830 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.537 -3.930 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.738 -4.680 -1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.286 -4.026 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.973 -3.647 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.016 -6.044 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.637 -6.375 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.220 -7.042 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.872 -5.783 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.270 -5.463 1.423 1.00 0.00 H new ATOM 370 N LYS A 26 1.890 0.296 -2.766 1.00 0.00 N ATOM 371 CA LYS A 26 1.918 1.143 -4.030 1.00 0.00 C ATOM 372 C LYS A 26 3.076 2.171 -3.954 1.00 0.00 C ATOM 373 O LYS A 26 3.386 2.552 -2.836 1.00 0.00 O ATOM 374 CB LYS A 26 0.642 2.010 -4.211 1.00 0.00 C ATOM 375 CG LYS A 26 -0.016 1.740 -5.588 1.00 0.00 C ATOM 376 CD LYS A 26 -1.114 2.785 -5.973 1.00 0.00 C ATOM 377 CE LYS A 26 -2.283 2.818 -4.973 1.00 0.00 C ATOM 378 NZ LYS A 26 -3.400 3.635 -5.541 1.00 0.00 N ATOM 0 H LYS A 26 2.045 0.821 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 26 2.018 0.430 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.068 1.790 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.899 3.066 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.757 1.738 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.460 0.745 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.662 3.775 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.498 2.552 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.628 1.805 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.953 3.242 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.191 3.658 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.066 4.604 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.720 3.211 -6.435 1.00 0.00 H new ATOM 392 N VAL A 27 3.636 2.577 -5.089 1.00 0.00 N ATOM 393 CA VAL A 27 4.766 3.580 -5.123 1.00 0.00 C ATOM 394 C VAL A 27 4.502 4.548 -6.320 1.00 0.00 C ATOM 395 O VAL A 27 4.073 4.013 -7.332 1.00 0.00 O ATOM 396 CB VAL A 27 6.125 2.882 -5.421 1.00 0.00 C ATOM 397 CG1 VAL A 27 7.368 3.770 -5.113 1.00 0.00 C ATOM 398 CG2 VAL A 27 6.217 1.479 -4.767 1.00 0.00 C ATOM 0 H VAL A 27 3.348 2.245 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 27 4.811 4.087 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 27 6.146 2.731 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.278 3.216 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.329 4.674 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.368 4.042 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.182 1.031 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.115 1.574 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.419 0.845 -5.153 1.00 0.00 H new ATOM 408 N TRP A 28 4.716 5.855 -6.243 1.00 0.00 N ATOM 409 CA TRP A 28 4.455 6.682 -7.475 1.00 0.00 C ATOM 410 C TRP A 28 5.354 7.936 -7.413 1.00 0.00 C ATOM 411 O TRP A 28 5.768 8.305 -6.323 1.00 0.00 O ATOM 412 CB TRP A 28 2.933 7.081 -7.594 1.00 0.00 C ATOM 413 CG TRP A 28 2.312 8.117 -6.659 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.270 9.454 -6.894 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.680 7.857 -5.500 1.00 0.00 C ATOM 416 NE1 TRP A 28 1.607 9.903 -5.850 1.00 0.00 N ATOM 417 CE2 TRP A 28 1.203 9.023 -4.946 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.480 6.654 -4.867 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.516 8.978 -3.747 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.797 6.604 -3.672 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.314 7.771 -3.113 1.00 0.00 C ATOM 0 H TRP A 28 5.044 6.361 -5.420 1.00 0.00 H new ATOM 0 HA TRP A 28 4.692 6.096 -8.363 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.776 7.436 -8.612 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.354 6.164 -7.483 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.677 10.008 -7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.410 10.898 -5.740 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.860 5.744 -5.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.138 9.889 -3.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.640 5.658 -3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.223 7.738 -2.177 1.00 0.00 H new ATOM 432 N ARG A 29 5.630 8.561 -8.545 1.00 0.00 N ATOM 433 CA ARG A 29 6.513 9.784 -8.589 1.00 0.00 C ATOM 434 C ARG A 29 5.764 10.994 -9.146 1.00 0.00 C ATOM 435 O ARG A 29 4.777 10.795 -9.824 1.00 0.00 O ATOM 436 CB ARG A 29 7.732 9.581 -9.519 1.00 0.00 C ATOM 437 CG ARG A 29 8.553 8.302 -9.159 1.00 0.00 C ATOM 438 CD ARG A 29 8.209 7.050 -10.020 1.00 0.00 C ATOM 439 NE ARG A 29 8.972 5.917 -9.410 1.00 0.00 N ATOM 440 CZ ARG A 29 9.004 4.719 -9.937 1.00 0.00 C ATOM 441 NH1 ARG A 29 8.357 4.459 -11.042 1.00 0.00 N ATOM 442 NH2 ARG A 29 9.699 3.803 -9.319 1.00 0.00 N ATOM 0 H ARG A 29 5.274 8.269 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 29 6.829 9.949 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.389 9.510 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.381 10.455 -9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.614 8.524 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.386 8.062 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.137 6.851 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.496 7.200 -11.061 1.00 0.00 H new ATOM 0 HE ARG A 29 9.489 6.085 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.820 5.193 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.389 3.522 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.193 4.033 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.748 2.857 -9.698 1.00 0.00 H new ATOM 456 N ASP A 30 6.231 12.194 -8.873 1.00 0.00 N ATOM 457 CA ASP A 30 5.547 13.419 -9.386 1.00 0.00 C ATOM 458 C ASP A 30 6.722 14.364 -9.567 1.00 0.00 C ATOM 459 O ASP A 30 7.837 13.932 -9.392 1.00 0.00 O ATOM 460 CB ASP A 30 4.587 14.039 -8.354 1.00 0.00 C ATOM 461 CG ASP A 30 3.582 14.989 -9.032 1.00 0.00 C ATOM 462 OD1 ASP A 30 2.676 14.456 -9.653 1.00 0.00 O ATOM 463 OD2 ASP A 30 3.774 16.187 -8.895 1.00 0.00 O ATOM 0 H ASP A 30 7.064 12.373 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 30 4.945 13.216 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.049 13.248 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.158 14.585 -7.603 1.00 0.00 H new ATOM 468 N HIS A 31 6.445 15.603 -9.880 1.00 0.00 N ATOM 469 CA HIS A 31 7.531 16.611 -10.089 1.00 0.00 C ATOM 470 C HIS A 31 8.167 17.047 -8.803 1.00 0.00 C ATOM 471 O HIS A 31 9.308 17.449 -8.780 1.00 0.00 O ATOM 472 CB HIS A 31 7.060 17.939 -10.702 1.00 0.00 C ATOM 473 CG HIS A 31 6.487 17.789 -12.118 1.00 0.00 C ATOM 474 ND1 HIS A 31 5.333 17.297 -12.463 1.00 0.00 N ATOM 475 CD2 HIS A 31 7.081 18.141 -13.321 1.00 0.00 C ATOM 476 CE1 HIS A 31 5.221 17.339 -13.752 1.00 0.00 C ATOM 477 NE2 HIS A 31 6.280 17.854 -14.325 1.00 0.00 N ATOM 0 H HIS A 31 5.499 15.966 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 31 8.208 16.075 -10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.301 18.380 -10.056 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.898 18.635 -10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.060 18.586 -13.420 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.354 16.989 -14.293 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.446 17.999 -15.321 1.00 0.00 H new ATOM 485 N ARG A 32 7.399 16.973 -7.767 1.00 0.00 N ATOM 486 CA ARG A 32 7.952 17.396 -6.465 1.00 0.00 C ATOM 487 C ARG A 32 8.877 16.340 -5.913 1.00 0.00 C ATOM 488 O ARG A 32 9.991 16.621 -5.528 1.00 0.00 O ATOM 489 CB ARG A 32 6.820 17.611 -5.461 1.00 0.00 C ATOM 490 CG ARG A 32 5.932 18.803 -5.905 1.00 0.00 C ATOM 491 CD ARG A 32 4.566 18.753 -5.189 1.00 0.00 C ATOM 492 NE ARG A 32 4.013 20.151 -5.204 1.00 0.00 N ATOM 493 CZ ARG A 32 2.761 20.443 -4.941 1.00 0.00 C ATOM 494 NH1 ARG A 32 1.900 19.507 -4.643 1.00 0.00 N ATOM 495 NH2 ARG A 32 2.410 21.701 -4.985 1.00 0.00 N ATOM 0 H ARG A 32 6.433 16.646 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 32 8.503 18.324 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.216 16.707 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.233 17.804 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.434 19.743 -5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.785 18.773 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.889 18.065 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.679 18.394 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 32 4.647 20.916 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.197 18.532 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.930 19.751 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.100 22.415 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.446 21.969 -4.787 1.00 0.00 H new ATOM 509 N GLY A 33 8.400 15.136 -5.866 1.00 0.00 N ATOM 510 CA GLY A 33 9.282 14.077 -5.319 1.00 0.00 C ATOM 511 C GLY A 33 8.520 12.754 -5.476 1.00 0.00 C ATOM 512 O GLY A 33 7.882 12.600 -6.501 1.00 0.00 O ATOM 0 H GLY A 33 7.472 14.843 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.230 14.045 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.515 14.269 -4.272 1.00 0.00 H new ATOM 516 N THR A 34 8.557 11.840 -4.532 1.00 0.00 N ATOM 517 CA THR A 34 7.816 10.568 -4.716 1.00 0.00 C ATOM 518 C THR A 34 7.090 10.319 -3.365 1.00 0.00 C ATOM 519 O THR A 34 7.456 10.997 -2.418 1.00 0.00 O ATOM 520 CB THR A 34 8.932 9.532 -5.097 1.00 0.00 C ATOM 521 OG1 THR A 34 8.379 8.231 -5.282 1.00 0.00 O ATOM 522 CG2 THR A 34 9.984 9.386 -3.959 1.00 0.00 C ATOM 0 H THR A 34 9.066 11.927 -3.652 1.00 0.00 H new ATOM 0 HA THR A 34 7.050 10.530 -5.490 1.00 0.00 H new ATOM 0 HB THR A 34 9.391 9.907 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.471 8.310 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.742 8.661 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.457 10.351 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.491 9.044 -3.049 1.00 0.00 H new ATOM 530 N ILE A 35 6.131 9.406 -3.318 1.00 0.00 N ATOM 531 CA ILE A 35 5.386 9.099 -2.052 1.00 0.00 C ATOM 532 C ILE A 35 5.083 7.571 -2.171 1.00 0.00 C ATOM 533 O ILE A 35 5.189 7.062 -3.280 1.00 0.00 O ATOM 534 CB ILE A 35 4.035 9.880 -1.964 1.00 0.00 C ATOM 535 CG1 ILE A 35 4.208 11.306 -2.568 1.00 0.00 C ATOM 536 CG2 ILE A 35 3.625 10.036 -0.473 1.00 0.00 C ATOM 537 CD1 ILE A 35 2.973 12.176 -2.256 1.00 0.00 C ATOM 0 H ILE A 35 5.834 8.855 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 35 5.961 9.379 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 35 3.274 9.328 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.103 11.775 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.348 11.236 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.683 10.581 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.505 9.050 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.399 10.587 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.110 13.169 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.084 11.714 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.851 12.261 -1.176 1.00 0.00 H new ATOM 549 N ILE A 36 4.720 6.925 -1.070 1.00 0.00 N ATOM 550 CA ILE A 36 4.402 5.451 -1.020 1.00 0.00 C ATOM 551 C ILE A 36 3.167 5.215 -0.088 1.00 0.00 C ATOM 552 O ILE A 36 3.014 6.041 0.797 1.00 0.00 O ATOM 553 CB ILE A 36 5.694 4.770 -0.462 1.00 0.00 C ATOM 554 CG1 ILE A 36 6.772 4.633 -1.556 1.00 0.00 C ATOM 555 CG2 ILE A 36 5.455 3.429 0.262 1.00 0.00 C ATOM 556 CD1 ILE A 36 8.146 4.431 -0.900 1.00 0.00 C ATOM 0 H ILE A 36 4.629 7.387 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 36 4.139 5.037 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 36 6.059 5.446 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.540 3.789 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.784 5.525 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.407 3.031 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.791 3.588 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.998 2.719 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.908 4.334 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.377 5.289 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.129 3.527 -0.292 1.00 0.00 H new ATOM 568 N GLU A 37 2.333 4.189 -0.250 1.00 0.00 N ATOM 569 CA GLU A 37 1.173 4.019 0.715 1.00 0.00 C ATOM 570 C GLU A 37 0.846 2.495 0.787 1.00 0.00 C ATOM 571 O GLU A 37 1.376 1.788 -0.055 1.00 0.00 O ATOM 572 CB GLU A 37 -0.104 4.865 0.263 1.00 0.00 C ATOM 573 CG GLU A 37 -1.042 4.305 -0.812 1.00 0.00 C ATOM 574 CD GLU A 37 -2.087 5.408 -1.113 1.00 0.00 C ATOM 575 OE1 GLU A 37 -2.708 5.880 -0.170 1.00 0.00 O ATOM 576 OE2 GLU A 37 -2.206 5.717 -2.286 1.00 0.00 O ATOM 0 H GLU A 37 2.402 3.485 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 37 1.450 4.397 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.704 5.051 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.254 5.833 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.486 4.043 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.530 3.395 -0.463 1.00 0.00 H new ATOM 583 N ARG A 38 0.023 2.031 1.720 1.00 0.00 N ATOM 584 CA ARG A 38 -0.353 0.558 1.888 1.00 0.00 C ATOM 585 C ARG A 38 -1.887 0.314 2.056 1.00 0.00 C ATOM 586 O ARG A 38 -2.539 1.255 2.458 1.00 0.00 O ATOM 587 CB ARG A 38 0.364 0.008 3.147 1.00 0.00 C ATOM 588 CG ARG A 38 1.811 -0.412 2.806 1.00 0.00 C ATOM 589 CD ARG A 38 2.789 -0.414 4.018 1.00 0.00 C ATOM 590 NE ARG A 38 3.926 -1.322 3.654 1.00 0.00 N ATOM 591 CZ ARG A 38 5.068 -1.329 4.298 1.00 0.00 C ATOM 592 NH1 ARG A 38 5.272 -0.527 5.308 1.00 0.00 N ATOM 593 NH2 ARG A 38 5.986 -2.166 3.895 1.00 0.00 N ATOM 0 H ARG A 38 -0.426 2.638 2.405 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.045 0.049 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.374 0.768 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.186 -0.847 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.792 -1.411 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.201 0.262 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.150 0.593 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.287 -0.765 4.920 1.00 0.00 H new ATOM 0 HE ARG A 38 3.805 -1.963 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.538 0.116 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.165 -0.543 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.801 -2.784 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.888 -2.202 4.370 1.00 0.00 H new ATOM 607 N GLY A 39 -2.451 -0.859 1.796 1.00 0.00 N ATOM 608 CA GLY A 39 -3.943 -0.994 1.990 1.00 0.00 C ATOM 609 C GLY A 39 -4.527 -2.448 1.824 1.00 0.00 C ATOM 610 O GLY A 39 -3.748 -3.380 1.709 1.00 0.00 O ATOM 0 H GLY A 39 -1.964 -1.695 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.195 -0.633 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.444 -0.338 1.278 1.00 0.00 H new ATOM 614 N CYS A 40 -5.850 -2.601 1.805 1.00 0.00 N ATOM 615 CA CYS A 40 -6.537 -3.949 1.657 1.00 0.00 C ATOM 616 C CYS A 40 -7.104 -4.001 0.223 1.00 0.00 C ATOM 617 O CYS A 40 -7.581 -2.984 -0.242 1.00 0.00 O ATOM 618 CB CYS A 40 -7.832 -4.166 2.597 1.00 0.00 C ATOM 619 SG CYS A 40 -7.796 -4.412 4.405 1.00 0.00 S ATOM 0 H CYS A 40 -6.500 -1.820 1.889 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.789 -4.698 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.471 -3.300 2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.354 -5.032 2.189 1.00 0.00 H new ATOM 624 N GLY A 41 -7.072 -5.108 -0.472 1.00 0.00 N ATOM 625 CA GLY A 41 -7.650 -5.092 -1.851 1.00 0.00 C ATOM 626 C GLY A 41 -6.467 -4.957 -2.794 1.00 0.00 C ATOM 627 O GLY A 41 -5.374 -5.007 -2.271 1.00 0.00 O ATOM 0 H GLY A 41 -6.684 -5.998 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.208 -6.007 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.345 -4.261 -1.974 1.00 0.00 H new ATOM 631 N CYS A 42 -6.666 -4.807 -4.093 1.00 0.00 N ATOM 632 CA CYS A 42 -5.502 -4.665 -5.045 1.00 0.00 C ATOM 633 C CYS A 42 -5.877 -3.812 -6.319 1.00 0.00 C ATOM 634 O CYS A 42 -5.653 -4.281 -7.410 1.00 0.00 O ATOM 635 CB CYS A 42 -5.019 -6.104 -5.508 1.00 0.00 C ATOM 636 SG CYS A 42 -3.377 -6.342 -6.251 1.00 0.00 S ATOM 0 H CYS A 42 -7.585 -4.777 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.705 -4.144 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.073 -6.756 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.752 -6.472 -6.226 1.00 0.00 H new ATOM 641 N PRO A 43 -6.442 -2.625 -6.216 1.00 0.00 N ATOM 642 CA PRO A 43 -6.818 -1.760 -7.416 1.00 0.00 C ATOM 643 C PRO A 43 -5.699 -1.097 -8.320 1.00 0.00 C ATOM 644 O PRO A 43 -4.587 -0.932 -7.858 1.00 0.00 O ATOM 645 CB PRO A 43 -7.726 -0.694 -6.807 1.00 0.00 C ATOM 646 CG PRO A 43 -7.200 -0.568 -5.316 1.00 0.00 C ATOM 647 CD PRO A 43 -6.806 -2.006 -4.919 1.00 0.00 C ATOM 0 HA PRO A 43 -7.252 -2.427 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.648 0.253 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.774 -0.993 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.348 0.108 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.971 -0.172 -4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.971 -2.016 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.631 -2.532 -4.439 1.00 0.00 H new ATOM 721 N GLY A 48 2.355 4.713 -14.925 1.00 0.00 N ATOM 722 CA GLY A 48 3.148 5.778 -14.339 1.00 0.00 C ATOM 723 C GLY A 48 3.296 5.296 -12.902 1.00 0.00 C ATOM 724 O GLY A 48 4.261 5.638 -12.251 1.00 0.00 O ATOM 0 HA2 GLY A 48 4.112 5.891 -14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.645 6.743 -14.398 1.00 0.00 H new ATOM 728 N ILE A 49 2.364 4.517 -12.413 1.00 0.00 N ATOM 729 CA ILE A 49 2.507 4.048 -11.011 1.00 0.00 C ATOM 730 C ILE A 49 3.162 2.650 -11.019 1.00 0.00 C ATOM 731 O ILE A 49 3.278 2.089 -12.094 1.00 0.00 O ATOM 732 CB ILE A 49 1.073 4.051 -10.422 1.00 0.00 C ATOM 733 CG1 ILE A 49 0.198 2.996 -11.127 1.00 0.00 C ATOM 734 CG2 ILE A 49 0.431 5.427 -10.698 1.00 0.00 C ATOM 735 CD1 ILE A 49 0.233 1.665 -10.361 1.00 0.00 C ATOM 0 H ILE A 49 1.534 4.195 -12.911 1.00 0.00 H new ATOM 0 HA ILE A 49 3.149 4.681 -10.398 1.00 0.00 H new ATOM 0 HB ILE A 49 1.135 3.836 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.829 3.355 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.552 2.844 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.579 5.446 -10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.028 6.208 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.391 5.601 -11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.391 0.933 -10.874 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.259 1.299 -10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.144 1.817 -9.350 1.00 0.00 H new ATOM 747 N LYS A 50 3.558 2.137 -9.870 1.00 0.00 N ATOM 748 CA LYS A 50 4.197 0.781 -9.792 1.00 0.00 C ATOM 749 C LYS A 50 3.297 0.170 -8.685 1.00 0.00 C ATOM 750 O LYS A 50 2.944 0.923 -7.788 1.00 0.00 O ATOM 751 CB LYS A 50 5.677 0.948 -9.357 1.00 0.00 C ATOM 752 CG LYS A 50 6.713 0.451 -10.452 1.00 0.00 C ATOM 753 CD LYS A 50 6.497 1.002 -11.900 1.00 0.00 C ATOM 754 CE LYS A 50 7.724 0.564 -12.754 1.00 0.00 C ATOM 755 NZ LYS A 50 7.491 0.799 -14.212 1.00 0.00 N ATOM 0 H LYS A 50 3.462 2.610 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 50 4.247 0.184 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.867 1.998 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.842 0.394 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.716 0.726 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.677 -0.638 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.573 0.610 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.406 2.088 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.607 1.116 -12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.928 -0.493 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.328 0.496 -14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.662 0.253 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.321 1.811 -14.378 1.00 0.00 H new ATOM 769 N LEU A 51 2.983 -1.114 -8.756 1.00 0.00 N ATOM 770 CA LEU A 51 2.082 -1.824 -7.754 1.00 0.00 C ATOM 771 C LEU A 51 2.676 -3.174 -7.275 1.00 0.00 C ATOM 772 O LEU A 51 3.509 -3.688 -7.996 1.00 0.00 O ATOM 773 CB LEU A 51 0.772 -2.142 -8.468 1.00 0.00 C ATOM 774 CG LEU A 51 -0.579 -2.125 -7.705 1.00 0.00 C ATOM 775 CD1 LEU A 51 -1.667 -2.699 -8.667 1.00 0.00 C ATOM 776 CD2 LEU A 51 -0.599 -2.894 -6.368 1.00 0.00 C ATOM 0 H LEU A 51 3.326 -1.727 -9.496 1.00 0.00 H new ATOM 0 HA LEU A 51 1.959 -1.174 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.680 -1.438 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.879 -3.135 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.769 -1.090 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.633 -2.702 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.726 -2.078 -9.561 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.402 -3.718 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.589 -2.817 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.362 -3.943 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.140 -2.466 -5.691 1.00 0.00 H new ATOM 788 N ASN A 52 2.258 -3.701 -6.134 1.00 0.00 N ATOM 789 CA ASN A 52 2.777 -5.035 -5.616 1.00 0.00 C ATOM 790 C ASN A 52 1.691 -5.641 -4.705 1.00 0.00 C ATOM 791 O ASN A 52 1.134 -4.834 -3.985 1.00 0.00 O ATOM 792 CB ASN A 52 4.007 -4.945 -4.711 1.00 0.00 C ATOM 793 CG ASN A 52 5.295 -5.129 -5.534 1.00 0.00 C ATOM 794 OD1 ASN A 52 5.892 -4.179 -6.001 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.771 -6.332 -5.747 1.00 0.00 N ATOM 0 H ASN A 52 1.568 -3.259 -5.527 1.00 0.00 H new ATOM 0 HA ASN A 52 3.032 -5.608 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.025 -3.979 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.952 -5.708 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.623 -6.454 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.289 -7.146 -5.366 1.00 0.00 H new ATOM 802 N CYS A 53 1.388 -6.935 -4.700 1.00 0.00 N ATOM 803 CA CYS A 53 0.311 -7.502 -3.783 1.00 0.00 C ATOM 804 C CYS A 53 0.671 -8.902 -3.247 1.00 0.00 C ATOM 805 O CYS A 53 1.490 -9.544 -3.882 1.00 0.00 O ATOM 806 CB CYS A 53 -1.069 -7.683 -4.492 1.00 0.00 C ATOM 807 SG CYS A 53 -2.034 -6.171 -4.748 1.00 0.00 S ATOM 0 H CYS A 53 1.842 -7.628 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 53 0.247 -6.765 -2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.898 -8.150 -5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.669 -8.378 -3.904 1.00 0.00 H new ATOM 812 N CYS A 54 0.074 -9.327 -2.143 1.00 0.00 N ATOM 813 CA CYS A 54 0.361 -10.688 -1.554 1.00 0.00 C ATOM 814 C CYS A 54 -0.906 -11.307 -0.907 1.00 0.00 C ATOM 815 O CYS A 54 -1.902 -10.607 -0.802 1.00 0.00 O ATOM 816 CB CYS A 54 1.498 -10.579 -0.490 1.00 0.00 C ATOM 817 SG CYS A 54 1.790 -9.028 0.402 1.00 0.00 S ATOM 0 H CYS A 54 -0.609 -8.779 -1.620 1.00 0.00 H new ATOM 0 HA CYS A 54 0.680 -11.343 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.310 -11.349 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.430 -10.841 -0.990 1.00 0.00 H new ATOM 822 N THR A 55 -0.847 -12.564 -0.505 1.00 0.00 N ATOM 823 CA THR A 55 -2.015 -13.240 0.118 1.00 0.00 C ATOM 824 C THR A 55 -1.793 -13.666 1.600 1.00 0.00 C ATOM 825 O THR A 55 -2.731 -13.826 2.359 1.00 0.00 O ATOM 826 CB THR A 55 -2.301 -14.478 -0.726 1.00 0.00 C ATOM 827 OG1 THR A 55 -1.029 -15.131 -0.715 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.487 -14.175 -2.238 1.00 0.00 C ATOM 0 H THR A 55 -0.017 -13.150 -0.590 1.00 0.00 H new ATOM 0 HA THR A 55 -2.845 -12.534 0.142 1.00 0.00 H new ATOM 0 HB THR A 55 -3.186 -14.987 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.083 -15.960 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.687 -15.103 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.325 -13.491 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.579 -13.717 -2.632 1.00 0.00 H new ATOM 836 N THR A 56 -0.563 -13.844 1.969 1.00 0.00 N ATOM 837 CA THR A 56 -0.307 -14.269 3.344 1.00 0.00 C ATOM 838 C THR A 56 -0.295 -13.051 4.263 1.00 0.00 C ATOM 839 O THR A 56 -0.309 -11.929 3.805 1.00 0.00 O ATOM 840 CB THR A 56 1.006 -15.007 3.187 1.00 0.00 C ATOM 841 OG1 THR A 56 0.780 -15.641 1.920 1.00 0.00 O ATOM 842 CG2 THR A 56 1.226 -16.127 4.243 1.00 0.00 C ATOM 0 H THR A 56 0.260 -13.713 1.380 1.00 0.00 H new ATOM 0 HA THR A 56 -1.052 -14.910 3.815 1.00 0.00 H new ATOM 0 HB THR A 56 1.869 -14.348 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.567 -16.170 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.187 -16.610 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.217 -15.692 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.428 -16.865 4.162 1.00 0.00 H new ATOM 850 N ASP A 57 -0.246 -13.325 5.536 1.00 0.00 N ATOM 851 CA ASP A 57 -0.250 -12.214 6.506 1.00 0.00 C ATOM 852 C ASP A 57 1.156 -11.706 6.725 1.00 0.00 C ATOM 853 O ASP A 57 2.100 -12.408 6.430 1.00 0.00 O ATOM 854 CB ASP A 57 -0.798 -12.681 7.876 1.00 0.00 C ATOM 855 CG ASP A 57 -2.209 -13.301 7.767 1.00 0.00 C ATOM 856 OD1 ASP A 57 -2.306 -14.424 7.298 1.00 0.00 O ATOM 857 OD2 ASP A 57 -3.121 -12.596 8.167 1.00 0.00 O ATOM 0 H ASP A 57 -0.204 -14.262 5.937 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.884 -11.427 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.115 -13.413 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.829 -11.833 8.560 1.00 0.00 H new ATOM 862 N LYS A 58 1.168 -10.508 7.263 1.00 0.00 N ATOM 863 CA LYS A 58 2.372 -9.693 7.624 1.00 0.00 C ATOM 864 C LYS A 58 3.382 -9.760 6.490 1.00 0.00 C ATOM 865 O LYS A 58 4.557 -9.949 6.729 1.00 0.00 O ATOM 866 CB LYS A 58 2.951 -10.265 8.982 1.00 0.00 C ATOM 867 CG LYS A 58 4.092 -9.448 9.692 1.00 0.00 C ATOM 868 CD LYS A 58 3.829 -9.426 11.240 1.00 0.00 C ATOM 869 CE LYS A 58 5.121 -9.197 12.068 1.00 0.00 C ATOM 870 NZ LYS A 58 5.948 -8.086 11.518 1.00 0.00 N ATOM 0 H LYS A 58 0.300 -10.021 7.485 1.00 0.00 H new ATOM 0 HA LYS A 58 2.121 -8.642 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.123 -10.364 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.328 -11.269 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.062 -9.899 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.123 -8.430 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.111 -8.639 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.374 -10.370 11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.854 -8.973 13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.710 -10.114 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.708 -7.854 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.364 -8.379 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.350 -7.248 11.370 1.00 0.00 H new ATOM 884 N CYS A 59 2.903 -9.573 5.292 1.00 0.00 N ATOM 885 CA CYS A 59 3.820 -9.626 4.125 1.00 0.00 C ATOM 886 C CYS A 59 4.239 -8.217 3.797 1.00 0.00 C ATOM 887 O CYS A 59 5.286 -7.967 3.237 1.00 0.00 O ATOM 888 CB CYS A 59 3.113 -10.212 2.891 1.00 0.00 C ATOM 889 SG CYS A 59 1.537 -9.492 2.354 1.00 0.00 S ATOM 0 H CYS A 59 1.924 -9.387 5.073 1.00 0.00 H new ATOM 0 HA CYS A 59 4.673 -10.256 4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.807 -10.147 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.942 -11.271 3.082 1.00 0.00 H new ATOM 894 N ASN A 60 3.406 -7.298 4.159 1.00 0.00 N ATOM 895 CA ASN A 60 3.712 -5.868 3.877 1.00 0.00 C ATOM 896 C ASN A 60 4.107 -5.245 5.169 1.00 0.00 C ATOM 897 O ASN A 60 3.518 -4.297 5.643 1.00 0.00 O ATOM 898 CB ASN A 60 2.495 -5.118 3.352 1.00 0.00 C ATOM 899 CG ASN A 60 1.252 -5.430 4.206 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.332 -6.101 5.226 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.092 -4.966 3.812 1.00 0.00 N ATOM 0 H ASN A 60 2.522 -7.468 4.639 1.00 0.00 H new ATOM 0 HA ASN A 60 4.496 -5.816 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.690 -4.046 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.309 -5.397 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.748 -5.164 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.029 -4.407 2.961 1.00 0.00 H new ATOM 908 N ASN A 61 5.141 -5.825 5.688 1.00 0.00 N ATOM 909 CA ASN A 61 5.718 -5.374 6.993 1.00 0.00 C ATOM 910 C ASN A 61 6.493 -4.085 6.864 1.00 0.00 C ATOM 911 O ASN A 61 6.287 -3.229 7.709 1.00 0.00 O ATOM 912 CB ASN A 61 6.653 -6.453 7.532 1.00 0.00 C ATOM 913 CG ASN A 61 7.636 -5.829 8.532 1.00 0.00 C ATOM 914 OD1 ASN A 61 8.769 -5.553 8.192 1.00 0.00 O ATOM 915 ND2 ASN A 61 7.268 -5.590 9.762 1.00 0.00 N ATOM 916 OXT ASN A 61 7.257 -4.025 5.919 1.00 0.00 O ATOM 0 H ASN A 61 5.629 -6.612 5.260 1.00 0.00 H new ATOM 0 HA ASN A 61 4.884 -5.200 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.075 -7.240 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.199 -6.918 6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.928 -5.178 10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.320 -5.816 10.064 1.00 0.00 H new