USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 39 SER OG : rot 52:sc= -3.29! USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.63! C(o=-3.6!,f=-7.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= -0.241 (180deg=-1.47!) USER MOD Single : A 26 GLN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 9:sc= 0.684! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -105:sc= 0.428 USER MOD Single : A 67 ASN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -17.708 -4.407 2.111 1.00 0.00 N ATOM 31 CA GLU A 3 -18.167 -3.684 0.891 1.00 0.00 C ATOM 32 C GLU A 3 -17.503 -2.309 0.832 1.00 0.00 C ATOM 33 O GLU A 3 -17.698 -1.556 -0.098 1.00 0.00 O ATOM 34 CB GLU A 3 -19.687 -3.517 0.938 1.00 0.00 C ATOM 35 CG GLU A 3 -20.311 -4.190 -0.285 1.00 0.00 C ATOM 36 CD GLU A 3 -21.709 -4.700 0.069 1.00 0.00 C ATOM 37 OE1 GLU A 3 -22.517 -3.900 0.509 1.00 0.00 O ATOM 38 OE2 GLU A 3 -21.949 -5.884 -0.107 1.00 0.00 O ATOM 0 HA GLU A 3 -17.893 -4.257 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.084 -3.959 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.947 -2.459 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.369 -3.482 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.684 -5.017 -0.617 1.00 0.00 H new ATOM 45 N CYS A 4 -16.717 -1.976 1.818 1.00 0.00 N ATOM 46 CA CYS A 4 -16.036 -0.651 1.817 1.00 0.00 C ATOM 47 C CYS A 4 -14.538 -0.865 1.588 1.00 0.00 C ATOM 48 O CYS A 4 -13.795 -1.179 2.496 1.00 0.00 O ATOM 49 CB CYS A 4 -16.272 0.035 3.166 1.00 0.00 C ATOM 50 SG CYS A 4 -18.010 0.544 3.301 1.00 0.00 S ATOM 0 H CYS A 4 -16.517 -2.565 2.626 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.435 -0.020 1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -16.018 -0.645 3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.621 0.904 3.262 1.00 0.00 H new ATOM 55 N ASP A 5 -14.097 -0.702 0.371 1.00 0.00 N ATOM 56 CA ASP A 5 -12.658 -0.897 0.054 1.00 0.00 C ATOM 57 C ASP A 5 -11.864 0.338 0.484 1.00 0.00 C ATOM 58 O ASP A 5 -10.656 0.299 0.612 1.00 0.00 O ATOM 59 CB ASP A 5 -12.502 -1.110 -1.456 1.00 0.00 C ATOM 60 CG ASP A 5 -11.042 -1.428 -1.778 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.242 -0.506 -1.785 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.746 -2.589 -2.011 1.00 0.00 O ATOM 0 H ASP A 5 -14.680 -0.439 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.279 -1.768 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.145 -1.926 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.818 -0.217 -1.995 1.00 0.00 H new ATOM 67 N CYS A 6 -12.531 1.437 0.711 1.00 0.00 N ATOM 68 CA CYS A 6 -11.814 2.673 1.135 1.00 0.00 C ATOM 69 C CYS A 6 -12.435 3.205 2.429 1.00 0.00 C ATOM 70 O CYS A 6 -13.483 2.762 2.852 1.00 0.00 O ATOM 71 CB CYS A 6 -11.933 3.733 0.038 1.00 0.00 C ATOM 72 SG CYS A 6 -13.678 4.131 -0.230 1.00 0.00 S ATOM 0 H CYS A 6 -13.543 1.532 0.621 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.762 2.443 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.384 4.630 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.486 3.367 -0.886 1.00 0.00 H new ATOM 77 N SER A 7 -11.794 4.151 3.061 1.00 0.00 N ATOM 78 CA SER A 7 -12.350 4.707 4.328 1.00 0.00 C ATOM 79 C SER A 7 -12.837 6.139 4.091 1.00 0.00 C ATOM 80 O SER A 7 -13.155 6.857 5.018 1.00 0.00 O ATOM 81 CB SER A 7 -11.262 4.709 5.402 1.00 0.00 C ATOM 82 OG SER A 7 -10.213 3.835 5.009 1.00 0.00 O ATOM 0 H SER A 7 -10.912 4.562 2.756 1.00 0.00 H new ATOM 0 HA SER A 7 -13.187 4.091 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.876 5.719 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.678 4.390 6.358 1.00 0.00 H new ATOM 0 HG SER A 7 -9.513 3.835 5.695 1.00 0.00 H new ATOM 88 N SER A 8 -12.901 6.561 2.856 1.00 0.00 N ATOM 89 CA SER A 8 -13.369 7.946 2.567 1.00 0.00 C ATOM 90 C SER A 8 -14.525 7.896 1.557 1.00 0.00 C ATOM 91 O SER A 8 -14.342 7.453 0.440 1.00 0.00 O ATOM 92 CB SER A 8 -12.214 8.757 1.975 1.00 0.00 C ATOM 93 OG SER A 8 -11.950 9.877 2.808 1.00 0.00 O ATOM 0 H SER A 8 -12.650 6.007 2.037 1.00 0.00 H new ATOM 0 HA SER A 8 -13.712 8.415 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.323 8.134 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.467 9.090 0.968 1.00 0.00 H new ATOM 0 HG SER A 8 -11.209 10.397 2.432 1.00 0.00 H new ATOM 99 N PRO A 9 -15.681 8.354 1.974 1.00 0.00 N ATOM 100 CA PRO A 9 -16.880 8.374 1.116 1.00 0.00 C ATOM 101 C PRO A 9 -16.809 9.545 0.130 1.00 0.00 C ATOM 102 O PRO A 9 -17.701 9.754 -0.668 1.00 0.00 O ATOM 103 CB PRO A 9 -18.030 8.563 2.107 1.00 0.00 C ATOM 104 CG PRO A 9 -17.412 9.199 3.376 1.00 0.00 C ATOM 105 CD PRO A 9 -15.903 8.891 3.332 1.00 0.00 C ATOM 0 HA PRO A 9 -16.991 7.473 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.803 9.206 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.502 7.609 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.588 10.275 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.866 8.786 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.308 9.788 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.622 8.167 4.097 1.00 0.00 H new ATOM 113 N GLU A 10 -15.751 10.306 0.178 1.00 0.00 N ATOM 114 CA GLU A 10 -15.613 11.459 -0.758 1.00 0.00 C ATOM 115 C GLU A 10 -14.420 11.207 -1.678 1.00 0.00 C ATOM 116 O GLU A 10 -13.887 12.111 -2.288 1.00 0.00 O ATOM 117 CB GLU A 10 -15.376 12.742 0.042 1.00 0.00 C ATOM 118 CG GLU A 10 -16.286 13.851 -0.491 1.00 0.00 C ATOM 119 CD GLU A 10 -16.332 15.003 0.513 1.00 0.00 C ATOM 120 OE1 GLU A 10 -17.185 14.970 1.385 1.00 0.00 O ATOM 121 OE2 GLU A 10 -15.512 15.899 0.395 1.00 0.00 O ATOM 0 H GLU A 10 -14.974 10.180 0.826 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.523 11.567 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.579 12.567 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.332 13.045 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.917 14.208 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.290 13.462 -0.660 1.00 0.00 H new ATOM 128 N ASN A 11 -13.995 9.978 -1.775 1.00 0.00 N ATOM 129 CA ASN A 11 -12.833 9.654 -2.645 1.00 0.00 C ATOM 130 C ASN A 11 -13.325 9.352 -4.068 1.00 0.00 C ATOM 131 O ASN A 11 -14.297 8.644 -4.245 1.00 0.00 O ATOM 132 CB ASN A 11 -12.119 8.425 -2.081 1.00 0.00 C ATOM 133 CG ASN A 11 -10.607 8.593 -2.235 1.00 0.00 C ATOM 134 OD1 ASN A 11 -10.121 9.690 -2.427 1.00 0.00 O ATOM 135 ND2 ASN A 11 -9.837 7.544 -2.155 1.00 0.00 N ATOM 0 H ASN A 11 -14.405 9.182 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.147 10.500 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.375 8.294 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.450 7.528 -2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.827 7.644 -2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.245 6.623 -1.994 1.00 0.00 H new ATOM 142 N PRO A 12 -12.637 9.897 -5.042 1.00 0.00 N ATOM 143 CA PRO A 12 -12.981 9.701 -6.461 1.00 0.00 C ATOM 144 C PRO A 12 -12.480 8.336 -6.945 1.00 0.00 C ATOM 145 O PRO A 12 -12.738 7.927 -8.059 1.00 0.00 O ATOM 146 CB PRO A 12 -12.239 10.837 -7.171 1.00 0.00 C ATOM 147 CG PRO A 12 -11.084 11.259 -6.230 1.00 0.00 C ATOM 148 CD PRO A 12 -11.458 10.759 -4.821 1.00 0.00 C ATOM 0 HA PRO A 12 -14.054 9.717 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.853 10.506 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.907 11.676 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.139 10.824 -6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.956 12.341 -6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.638 10.203 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.691 11.588 -4.153 1.00 0.00 H new ATOM 156 N CYS A 13 -11.764 7.632 -6.112 1.00 0.00 N ATOM 157 CA CYS A 13 -11.242 6.297 -6.514 1.00 0.00 C ATOM 158 C CYS A 13 -12.235 5.215 -6.091 1.00 0.00 C ATOM 159 O CYS A 13 -12.319 4.165 -6.696 1.00 0.00 O ATOM 160 CB CYS A 13 -9.901 6.052 -5.820 1.00 0.00 C ATOM 161 SG CYS A 13 -8.777 7.423 -6.183 1.00 0.00 S ATOM 0 H CYS A 13 -11.518 7.926 -5.167 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.108 6.266 -7.595 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.047 5.962 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.468 5.112 -6.162 1.00 0.00 H new ATOM 166 N CYS A 14 -12.984 5.460 -5.052 1.00 0.00 N ATOM 167 CA CYS A 14 -13.963 4.440 -4.590 1.00 0.00 C ATOM 168 C CYS A 14 -15.347 5.077 -4.438 1.00 0.00 C ATOM 169 O CYS A 14 -15.489 6.167 -3.921 1.00 0.00 O ATOM 170 CB CYS A 14 -13.510 3.882 -3.239 1.00 0.00 C ATOM 171 SG CYS A 14 -13.688 5.159 -1.968 1.00 0.00 S ATOM 0 H CYS A 14 -12.960 6.320 -4.505 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.018 3.635 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.105 3.007 -2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.472 3.555 -3.298 1.00 0.00 H new ATOM 176 N ASP A 15 -16.369 4.394 -4.875 1.00 0.00 N ATOM 177 CA ASP A 15 -17.747 4.941 -4.749 1.00 0.00 C ATOM 178 C ASP A 15 -18.080 5.120 -3.269 1.00 0.00 C ATOM 179 O ASP A 15 -17.782 4.271 -2.454 1.00 0.00 O ATOM 180 CB ASP A 15 -18.739 3.956 -5.366 1.00 0.00 C ATOM 181 CG ASP A 15 -20.060 4.672 -5.656 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.067 5.892 -5.629 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.041 3.990 -5.898 1.00 0.00 O ATOM 0 H ASP A 15 -16.307 3.476 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.810 5.900 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.329 3.540 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.908 3.121 -4.686 1.00 0.00 H new ATOM 188 N ALA A 16 -18.697 6.214 -2.914 1.00 0.00 N ATOM 189 CA ALA A 16 -19.048 6.439 -1.484 1.00 0.00 C ATOM 190 C ALA A 16 -20.212 5.527 -1.094 1.00 0.00 C ATOM 191 O ALA A 16 -20.229 4.950 -0.024 1.00 0.00 O ATOM 192 CB ALA A 16 -19.455 7.901 -1.283 1.00 0.00 C ATOM 0 H ALA A 16 -18.973 6.961 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.185 6.213 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.712 8.067 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.625 8.551 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.318 8.128 -1.909 1.00 0.00 H new ATOM 198 N ALA A 17 -21.188 5.391 -1.950 1.00 0.00 N ATOM 199 CA ALA A 17 -22.349 4.516 -1.624 1.00 0.00 C ATOM 200 C ALA A 17 -21.856 3.089 -1.375 1.00 0.00 C ATOM 201 O ALA A 17 -22.248 2.444 -0.421 1.00 0.00 O ATOM 202 CB ALA A 17 -23.333 4.520 -2.795 1.00 0.00 C ATOM 0 H ALA A 17 -21.231 5.848 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.848 4.889 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.183 3.880 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.683 5.537 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.835 4.146 -3.690 1.00 0.00 H new ATOM 208 N THR A 18 -20.998 2.591 -2.223 1.00 0.00 N ATOM 209 CA THR A 18 -20.477 1.208 -2.035 1.00 0.00 C ATOM 210 C THR A 18 -19.061 1.268 -1.457 1.00 0.00 C ATOM 211 O THR A 18 -18.387 0.265 -1.342 1.00 0.00 O ATOM 212 CB THR A 18 -20.447 0.488 -3.385 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.489 1.113 -4.229 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.829 0.560 -4.034 1.00 0.00 C ATOM 0 H THR A 18 -20.635 3.083 -3.039 1.00 0.00 H new ATOM 0 HA THR A 18 -21.126 0.666 -1.347 1.00 0.00 H new ATOM 0 HB THR A 18 -20.174 -0.557 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.466 0.653 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.807 0.047 -4.995 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.562 0.081 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.106 1.603 -4.186 1.00 0.00 H new ATOM 222 N CYS A 19 -18.608 2.443 -1.095 1.00 0.00 N ATOM 223 CA CYS A 19 -17.232 2.600 -0.523 1.00 0.00 C ATOM 224 C CYS A 19 -16.255 1.636 -1.198 1.00 0.00 C ATOM 225 O CYS A 19 -15.360 1.114 -0.569 1.00 0.00 O ATOM 226 CB CYS A 19 -17.233 2.336 0.989 1.00 0.00 C ATOM 227 SG CYS A 19 -18.531 1.158 1.443 1.00 0.00 S ATOM 0 H CYS A 19 -19.138 3.311 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.915 3.627 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.262 1.947 1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.384 3.273 1.525 1.00 0.00 H new ATOM 232 N LYS A 20 -16.403 1.409 -2.472 1.00 0.00 N ATOM 233 CA LYS A 20 -15.461 0.487 -3.172 1.00 0.00 C ATOM 234 C LYS A 20 -14.976 1.147 -4.465 1.00 0.00 C ATOM 235 O LYS A 20 -15.449 2.192 -4.849 1.00 0.00 O ATOM 236 CB LYS A 20 -16.166 -0.825 -3.519 1.00 0.00 C ATOM 237 CG LYS A 20 -16.338 -1.683 -2.266 1.00 0.00 C ATOM 238 CD LYS A 20 -15.443 -2.917 -2.381 1.00 0.00 C ATOM 239 CE LYS A 20 -15.213 -3.513 -0.995 1.00 0.00 C ATOM 240 NZ LYS A 20 -13.903 -4.222 -0.973 1.00 0.00 N ATOM 0 H LYS A 20 -17.130 1.818 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.616 0.279 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.140 -0.616 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.587 -1.370 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.075 -1.109 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.380 -1.983 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.908 -3.656 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.489 -2.646 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.226 -2.725 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.018 -4.205 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.007 -5.128 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.587 -4.398 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.199 -3.635 -0.481 1.00 0.00 H new ATOM 254 N LEU A 21 -14.037 0.544 -5.141 1.00 0.00 N ATOM 255 CA LEU A 21 -13.527 1.147 -6.408 1.00 0.00 C ATOM 256 C LEU A 21 -14.656 1.227 -7.440 1.00 0.00 C ATOM 257 O LEU A 21 -15.270 0.236 -7.783 1.00 0.00 O ATOM 258 CB LEU A 21 -12.394 0.283 -6.963 1.00 0.00 C ATOM 259 CG LEU A 21 -11.047 0.884 -6.562 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.643 0.358 -5.182 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.991 0.485 -7.591 1.00 0.00 C ATOM 0 H LEU A 21 -13.601 -0.338 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.157 2.151 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.478 -0.734 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.468 0.222 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.128 1.970 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.682 0.787 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.399 0.641 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.560 -0.728 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.029 0.912 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.910 -0.601 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.280 0.860 -8.573 1.00 0.00 H new ATOM 273 N ARG A 22 -14.939 2.405 -7.931 1.00 0.00 N ATOM 274 CA ARG A 22 -16.034 2.555 -8.934 1.00 0.00 C ATOM 275 C ARG A 22 -15.503 2.331 -10.360 1.00 0.00 C ATOM 276 O ARG A 22 -16.038 1.519 -11.090 1.00 0.00 O ATOM 277 CB ARG A 22 -16.630 3.960 -8.831 1.00 0.00 C ATOM 278 CG ARG A 22 -18.153 3.859 -8.720 1.00 0.00 C ATOM 279 CD ARG A 22 -18.784 4.184 -10.075 1.00 0.00 C ATOM 280 NE ARG A 22 -20.049 4.940 -9.864 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.131 4.310 -9.494 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.503 3.227 -10.121 1.00 0.00 N ATOM 283 NH2 ARG A 22 -21.840 4.763 -8.497 1.00 0.00 N ATOM 0 H ARG A 22 -14.459 3.270 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.800 1.808 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.224 4.476 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.356 4.548 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.440 2.856 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.520 4.550 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.093 4.772 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.985 3.264 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.070 5.950 -10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.948 2.873 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.348 2.735 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.549 5.609 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.685 4.271 -8.207 1.00 0.00 H new ATOM 297 N PRO A 23 -14.479 3.065 -10.723 1.00 0.00 N ATOM 298 CA PRO A 23 -13.877 2.974 -12.066 1.00 0.00 C ATOM 299 C PRO A 23 -12.976 1.740 -12.177 1.00 0.00 C ATOM 300 O PRO A 23 -13.015 0.852 -11.349 1.00 0.00 O ATOM 301 CB PRO A 23 -13.056 4.260 -12.182 1.00 0.00 C ATOM 302 CG PRO A 23 -12.777 4.730 -10.735 1.00 0.00 C ATOM 303 CD PRO A 23 -13.825 4.049 -9.836 1.00 0.00 C ATOM 0 HA PRO A 23 -14.620 2.874 -12.857 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.124 4.079 -12.718 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.602 5.021 -12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.768 4.456 -10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.850 5.815 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.359 3.564 -8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.542 4.770 -9.444 1.00 0.00 H new ATOM 311 N GLY A 24 -12.167 1.678 -13.201 1.00 0.00 N ATOM 312 CA GLY A 24 -11.267 0.504 -13.372 1.00 0.00 C ATOM 313 C GLY A 24 -9.942 0.761 -12.652 1.00 0.00 C ATOM 314 O GLY A 24 -8.900 0.290 -13.064 1.00 0.00 O ATOM 0 H GLY A 24 -12.092 2.391 -13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.742 -0.392 -12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.087 0.323 -14.432 1.00 0.00 H new ATOM 318 N ALA A 25 -9.972 1.502 -11.578 1.00 0.00 N ATOM 319 CA ALA A 25 -8.713 1.782 -10.833 1.00 0.00 C ATOM 320 C ALA A 25 -8.274 0.517 -10.094 1.00 0.00 C ATOM 321 O ALA A 25 -9.036 -0.417 -9.939 1.00 0.00 O ATOM 322 CB ALA A 25 -8.956 2.905 -9.822 1.00 0.00 C ATOM 0 H ALA A 25 -10.813 1.925 -11.185 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.934 2.088 -11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.034 3.110 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.274 3.805 -10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.733 2.601 -9.120 1.00 0.00 H new ATOM 328 N GLN A 26 -7.052 0.474 -9.638 1.00 0.00 N ATOM 329 CA GLN A 26 -6.575 -0.737 -8.916 1.00 0.00 C ATOM 330 C GLN A 26 -6.836 -0.583 -7.417 1.00 0.00 C ATOM 331 O GLN A 26 -7.008 -1.553 -6.706 1.00 0.00 O ATOM 332 CB GLN A 26 -5.074 -0.917 -9.158 1.00 0.00 C ATOM 333 CG GLN A 26 -4.829 -2.234 -9.895 1.00 0.00 C ATOM 334 CD GLN A 26 -4.978 -2.012 -11.402 1.00 0.00 C ATOM 335 OE1 GLN A 26 -5.822 -2.613 -12.035 1.00 0.00 O ATOM 336 NE2 GLN A 26 -4.188 -1.166 -12.007 1.00 0.00 N ATOM 0 H GLN A 26 -6.366 1.223 -9.734 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.112 -1.611 -9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.687 -0.083 -9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.539 -0.915 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.831 -2.609 -9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.538 -2.990 -9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.479 -0.661 -11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.280 -1.010 -13.011 1.00 0.00 H new ATOM 345 N CYS A 27 -6.869 0.627 -6.929 1.00 0.00 N ATOM 346 CA CYS A 27 -7.120 0.831 -5.475 1.00 0.00 C ATOM 347 C CYS A 27 -7.945 2.101 -5.264 1.00 0.00 C ATOM 348 O CYS A 27 -8.079 2.922 -6.148 1.00 0.00 O ATOM 349 CB CYS A 27 -5.785 0.967 -4.743 1.00 0.00 C ATOM 350 SG CYS A 27 -4.800 2.263 -5.533 1.00 0.00 S ATOM 0 H CYS A 27 -6.734 1.480 -7.472 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.669 -0.025 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.955 1.212 -3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.246 0.020 -4.766 1.00 0.00 H new ATOM 355 N GLY A 28 -8.490 2.270 -4.091 1.00 0.00 N ATOM 356 CA GLY A 28 -9.297 3.486 -3.808 1.00 0.00 C ATOM 357 C GLY A 28 -8.481 4.422 -2.934 1.00 0.00 C ATOM 358 O GLY A 28 -8.405 5.611 -3.174 1.00 0.00 O ATOM 0 H GLY A 28 -8.410 1.614 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.571 3.982 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.226 3.214 -3.306 1.00 0.00 H new ATOM 362 N GLU A 29 -7.870 3.895 -1.918 1.00 0.00 N ATOM 363 CA GLU A 29 -7.059 4.751 -1.027 1.00 0.00 C ATOM 364 C GLU A 29 -5.888 3.938 -0.468 1.00 0.00 C ATOM 365 O GLU A 29 -5.890 2.724 -0.511 1.00 0.00 O ATOM 366 CB GLU A 29 -7.947 5.245 0.106 1.00 0.00 C ATOM 367 CG GLU A 29 -8.489 4.048 0.886 1.00 0.00 C ATOM 368 CD GLU A 29 -8.289 4.278 2.385 1.00 0.00 C ATOM 369 OE1 GLU A 29 -8.288 5.428 2.792 1.00 0.00 O ATOM 370 OE2 GLU A 29 -8.140 3.301 3.099 1.00 0.00 O ATOM 0 H GLU A 29 -7.898 2.907 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.660 5.603 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.380 5.898 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.771 5.835 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.548 3.908 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.977 3.137 0.576 1.00 0.00 H new ATOM 377 N GLY A 30 -4.888 4.594 0.056 1.00 0.00 N ATOM 378 CA GLY A 30 -3.723 3.851 0.615 1.00 0.00 C ATOM 379 C GLY A 30 -2.519 4.790 0.725 1.00 0.00 C ATOM 380 O GLY A 30 -2.642 5.990 0.579 1.00 0.00 O ATOM 0 H GLY A 30 -4.828 5.610 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.973 3.448 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.478 3.003 -0.025 1.00 0.00 H new ATOM 384 N LEU A 31 -1.355 4.255 0.981 1.00 0.00 N ATOM 385 CA LEU A 31 -0.149 5.120 1.101 1.00 0.00 C ATOM 386 C LEU A 31 0.555 5.209 -0.250 1.00 0.00 C ATOM 387 O LEU A 31 0.971 6.268 -0.678 1.00 0.00 O ATOM 388 CB LEU A 31 0.813 4.518 2.124 1.00 0.00 C ATOM 389 CG LEU A 31 1.134 5.560 3.192 1.00 0.00 C ATOM 390 CD1 LEU A 31 -0.169 6.133 3.752 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.929 4.899 4.318 1.00 0.00 C ATOM 0 H LEU A 31 -1.189 3.257 1.112 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.454 6.116 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.367 3.636 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.729 4.193 1.631 1.00 0.00 H new ATOM 0 HG LEU A 31 1.724 6.365 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.059 6.877 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.736 6.600 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.759 5.330 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.161 5.640 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.338 4.096 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.856 4.490 3.917 1.00 0.00 H new ATOM 403 N CYS A 32 0.705 4.102 -0.920 1.00 0.00 N ATOM 404 CA CYS A 32 1.396 4.122 -2.235 1.00 0.00 C ATOM 405 C CYS A 32 0.381 3.939 -3.359 1.00 0.00 C ATOM 406 O CYS A 32 0.535 3.098 -4.222 1.00 0.00 O ATOM 407 CB CYS A 32 2.426 2.997 -2.279 1.00 0.00 C ATOM 408 SG CYS A 32 3.557 3.179 -0.879 1.00 0.00 S ATOM 0 H CYS A 32 0.379 3.186 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 32 1.898 5.081 -2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.928 2.028 -2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.980 3.030 -3.217 1.00 0.00 H new ATOM 413 N CYS A 33 -0.655 4.729 -3.360 1.00 0.00 N ATOM 414 CA CYS A 33 -1.677 4.610 -4.436 1.00 0.00 C ATOM 415 C CYS A 33 -2.000 5.999 -4.986 1.00 0.00 C ATOM 416 O CYS A 33 -2.532 6.845 -4.295 1.00 0.00 O ATOM 417 CB CYS A 33 -2.944 3.968 -3.870 1.00 0.00 C ATOM 418 SG CYS A 33 -3.075 2.273 -4.487 1.00 0.00 S ATOM 0 H CYS A 33 -0.838 5.451 -2.663 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.289 3.986 -5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.912 3.970 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.821 4.544 -4.164 1.00 0.00 H new ATOM 423 N GLU A 34 -1.683 6.240 -6.229 1.00 0.00 N ATOM 424 CA GLU A 34 -1.970 7.571 -6.829 1.00 0.00 C ATOM 425 C GLU A 34 -2.893 7.388 -8.032 1.00 0.00 C ATOM 426 O GLU A 34 -2.865 6.370 -8.697 1.00 0.00 O ATOM 427 CB GLU A 34 -0.662 8.222 -7.285 1.00 0.00 C ATOM 428 CG GLU A 34 0.348 8.212 -6.136 1.00 0.00 C ATOM 429 CD GLU A 34 1.046 9.572 -6.059 1.00 0.00 C ATOM 430 OE1 GLU A 34 0.413 10.561 -6.391 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.201 9.602 -5.669 1.00 0.00 O ATOM 0 H GLU A 34 -1.237 5.570 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.451 8.210 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.257 7.685 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.848 9.246 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.158 7.997 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.083 7.422 -6.291 1.00 0.00 H new ATOM 438 N GLN A 35 -3.713 8.358 -8.317 1.00 0.00 N ATOM 439 CA GLN A 35 -4.637 8.229 -9.477 1.00 0.00 C ATOM 440 C GLN A 35 -5.560 7.030 -9.258 1.00 0.00 C ATOM 441 O GLN A 35 -6.144 6.506 -10.185 1.00 0.00 O ATOM 442 CB GLN A 35 -3.824 8.018 -10.755 1.00 0.00 C ATOM 443 CG GLN A 35 -4.471 8.794 -11.904 1.00 0.00 C ATOM 444 CD GLN A 35 -4.227 10.291 -11.710 1.00 0.00 C ATOM 445 OE1 GLN A 35 -3.137 10.775 -11.940 1.00 0.00 O ATOM 446 NE2 GLN A 35 -5.203 11.051 -11.294 1.00 0.00 N ATOM 0 H GLN A 35 -3.784 9.233 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.233 9.137 -9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.798 8.355 -10.606 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.778 6.957 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.055 8.467 -12.857 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.541 8.591 -11.937 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.119 10.645 -11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.050 12.051 -11.162 1.00 0.00 H new ATOM 455 N CYS A 36 -5.692 6.586 -8.037 1.00 0.00 N ATOM 456 CA CYS A 36 -6.573 5.416 -7.762 1.00 0.00 C ATOM 457 C CYS A 36 -5.911 4.147 -8.299 1.00 0.00 C ATOM 458 O CYS A 36 -6.552 3.131 -8.482 1.00 0.00 O ATOM 459 CB CYS A 36 -7.924 5.617 -8.453 1.00 0.00 C ATOM 460 SG CYS A 36 -8.493 7.313 -8.180 1.00 0.00 S ATOM 0 H CYS A 36 -5.228 6.983 -7.220 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.727 5.322 -6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.831 5.420 -9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.654 4.909 -8.061 1.00 0.00 H new ATOM 465 N LYS A 37 -4.634 4.197 -8.555 1.00 0.00 N ATOM 466 CA LYS A 37 -3.935 2.993 -9.081 1.00 0.00 C ATOM 467 C LYS A 37 -2.768 2.633 -8.157 1.00 0.00 C ATOM 468 O LYS A 37 -2.430 3.368 -7.250 1.00 0.00 O ATOM 469 CB LYS A 37 -3.409 3.281 -10.488 1.00 0.00 C ATOM 470 CG LYS A 37 -4.546 3.113 -11.498 1.00 0.00 C ATOM 471 CD LYS A 37 -4.003 3.296 -12.916 1.00 0.00 C ATOM 472 CE LYS A 37 -4.581 4.575 -13.523 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.940 4.332 -14.949 1.00 0.00 N ATOM 0 H LYS A 37 -4.045 5.019 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.633 2.157 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.009 4.294 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.591 2.603 -10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.995 2.125 -11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.332 3.843 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.915 3.350 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.268 2.437 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.462 4.889 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.854 5.384 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.333 5.202 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.090 4.052 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.648 3.572 -15.004 1.00 0.00 H new ATOM 487 N PHE A 38 -2.156 1.503 -8.380 1.00 0.00 N ATOM 488 CA PHE A 38 -1.019 1.083 -7.516 1.00 0.00 C ATOM 489 C PHE A 38 0.251 1.830 -7.926 1.00 0.00 C ATOM 490 O PHE A 38 0.665 1.792 -9.069 1.00 0.00 O ATOM 491 CB PHE A 38 -0.797 -0.421 -7.676 1.00 0.00 C ATOM 492 CG PHE A 38 -1.892 -1.170 -6.956 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.249 -0.807 -5.654 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.550 -2.229 -7.593 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.265 -1.500 -4.988 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.566 -2.922 -6.928 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.925 -2.558 -5.624 1.00 0.00 C ATOM 0 H PHE A 38 -2.396 0.851 -9.126 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.250 1.316 -6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.793 -0.689 -8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.176 -0.701 -7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.740 0.009 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.273 -2.511 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.541 -1.219 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.074 -3.738 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.710 -3.093 -5.110 1.00 0.00 H new ATOM 507 N SER A 39 0.880 2.505 -7.000 1.00 0.00 N ATOM 508 CA SER A 39 2.127 3.244 -7.338 1.00 0.00 C ATOM 509 C SER A 39 3.185 2.243 -7.817 1.00 0.00 C ATOM 510 O SER A 39 2.884 1.312 -8.539 1.00 0.00 O ATOM 511 CB SER A 39 2.632 3.986 -6.098 1.00 0.00 C ATOM 512 OG SER A 39 1.561 4.727 -5.526 1.00 0.00 O ATOM 0 H SER A 39 0.583 2.575 -6.027 1.00 0.00 H new ATOM 0 HA SER A 39 1.928 3.968 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.028 3.276 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.449 4.655 -6.368 1.00 0.00 H new ATOM 0 HG SER A 39 0.791 4.136 -5.388 1.00 0.00 H new ATOM 518 N ARG A 40 4.420 2.416 -7.427 1.00 0.00 N ATOM 519 CA ARG A 40 5.476 1.463 -7.868 1.00 0.00 C ATOM 520 C ARG A 40 6.164 0.860 -6.640 1.00 0.00 C ATOM 521 O ARG A 40 6.133 1.422 -5.562 1.00 0.00 O ATOM 522 CB ARG A 40 6.511 2.207 -8.715 1.00 0.00 C ATOM 523 CG ARG A 40 7.345 3.118 -7.813 1.00 0.00 C ATOM 524 CD ARG A 40 8.197 4.052 -8.673 1.00 0.00 C ATOM 525 NE ARG A 40 9.273 4.652 -7.835 1.00 0.00 N ATOM 526 CZ ARG A 40 10.418 4.038 -7.707 1.00 0.00 C ATOM 527 NH1 ARG A 40 11.209 3.911 -8.738 1.00 0.00 N ATOM 528 NH2 ARG A 40 10.772 3.552 -6.548 1.00 0.00 N ATOM 0 H ARG A 40 4.741 3.174 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 40 5.023 0.667 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.157 1.495 -9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.012 2.796 -9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.691 3.701 -7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.985 2.518 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.634 3.500 -9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.575 4.837 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 40 9.115 5.542 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.932 4.291 -9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.104 3.431 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.154 3.652 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.667 3.072 -6.448 1.00 0.00 H new ATOM 542 N ALA A 41 6.790 -0.273 -6.794 1.00 0.00 N ATOM 543 CA ALA A 41 7.483 -0.900 -5.635 1.00 0.00 C ATOM 544 C ALA A 41 8.709 -0.066 -5.290 1.00 0.00 C ATOM 545 O ALA A 41 9.100 0.812 -6.033 1.00 0.00 O ATOM 546 CB ALA A 41 7.911 -2.324 -5.993 1.00 0.00 C ATOM 0 H ALA A 41 6.852 -0.791 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 41 6.809 -0.941 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.417 -2.777 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.031 -2.915 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.590 -2.296 -6.846 1.00 0.00 H new ATOM 552 N GLY A 42 9.309 -0.307 -4.161 1.00 0.00 N ATOM 553 CA GLY A 42 10.489 0.509 -3.782 1.00 0.00 C ATOM 554 C GLY A 42 9.992 1.919 -3.468 1.00 0.00 C ATOM 555 O GLY A 42 10.739 2.877 -3.495 1.00 0.00 O ATOM 0 H GLY A 42 9.036 -1.026 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.991 0.078 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.216 0.531 -4.594 1.00 0.00 H new ATOM 559 N LYS A 43 8.721 2.049 -3.184 1.00 0.00 N ATOM 560 CA LYS A 43 8.155 3.398 -2.883 1.00 0.00 C ATOM 561 C LYS A 43 8.228 3.661 -1.379 1.00 0.00 C ATOM 562 O LYS A 43 7.684 2.923 -0.585 1.00 0.00 O ATOM 563 CB LYS A 43 6.692 3.452 -3.369 1.00 0.00 C ATOM 564 CG LYS A 43 5.858 4.423 -2.513 1.00 0.00 C ATOM 565 CD LYS A 43 6.258 5.864 -2.830 1.00 0.00 C ATOM 566 CE LYS A 43 5.036 6.774 -2.683 1.00 0.00 C ATOM 567 NZ LYS A 43 4.275 6.793 -3.965 1.00 0.00 N ATOM 0 H LYS A 43 8.052 1.280 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 43 8.731 4.166 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.664 3.766 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.254 2.455 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.796 4.278 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.015 4.216 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.051 6.190 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.654 5.929 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.398 6.417 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.350 7.784 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.444 7.411 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.886 7.153 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.963 5.829 -4.198 1.00 0.00 H new ATOM 581 N ILE A 44 8.878 4.718 -0.985 1.00 0.00 N ATOM 582 CA ILE A 44 8.969 5.031 0.465 1.00 0.00 C ATOM 583 C ILE A 44 7.561 5.321 1.003 1.00 0.00 C ATOM 584 O ILE A 44 7.007 6.381 0.789 1.00 0.00 O ATOM 585 CB ILE A 44 9.904 6.242 0.663 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.247 5.742 1.192 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.317 7.236 1.672 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.016 5.001 2.509 1.00 0.00 C ATOM 0 H ILE A 44 9.349 5.378 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 44 9.382 4.185 1.015 1.00 0.00 H new ATOM 0 HB ILE A 44 10.024 6.749 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.716 5.080 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.927 6.580 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.998 8.079 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.354 7.596 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.181 6.741 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.969 4.640 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.564 5.679 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.350 4.155 2.339 1.00 0.00 H new ATOM 600 N CYS A 45 6.987 4.385 1.706 1.00 0.00 N ATOM 601 CA CYS A 45 5.625 4.597 2.268 1.00 0.00 C ATOM 602 C CYS A 45 5.741 5.298 3.617 1.00 0.00 C ATOM 603 O CYS A 45 4.792 5.863 4.122 1.00 0.00 O ATOM 604 CB CYS A 45 4.941 3.250 2.460 1.00 0.00 C ATOM 605 SG CYS A 45 6.036 2.130 3.364 1.00 0.00 S ATOM 0 H CYS A 45 7.405 3.479 1.916 1.00 0.00 H new ATOM 0 HA CYS A 45 5.039 5.210 1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.007 3.381 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.685 2.820 1.491 1.00 0.00 H new ATOM 610 N ARG A 46 6.902 5.259 4.202 1.00 0.00 N ATOM 611 CA ARG A 46 7.093 5.917 5.526 1.00 0.00 C ATOM 612 C ARG A 46 8.585 6.154 5.769 1.00 0.00 C ATOM 613 O ARG A 46 9.427 5.688 5.027 1.00 0.00 O ATOM 614 CB ARG A 46 6.534 5.014 6.629 1.00 0.00 C ATOM 615 CG ARG A 46 5.322 5.685 7.277 1.00 0.00 C ATOM 616 CD ARG A 46 5.005 4.990 8.603 1.00 0.00 C ATOM 617 NE ARG A 46 3.762 5.570 9.185 1.00 0.00 N ATOM 618 CZ ARG A 46 3.836 6.400 10.189 1.00 0.00 C ATOM 619 NH1 ARG A 46 4.272 5.985 11.348 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.472 7.643 10.036 1.00 0.00 N ATOM 0 H ARG A 46 7.730 4.800 3.822 1.00 0.00 H new ATOM 0 HA ARG A 46 6.568 6.872 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.248 4.048 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.301 4.823 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.526 6.742 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.462 5.630 6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.879 3.919 8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.836 5.113 9.298 1.00 0.00 H new ATOM 0 HE ARG A 46 2.852 5.318 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.555 5.012 11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.330 6.634 12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.129 7.966 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.530 8.292 10.821 1.00 0.00 H new ATOM 634 N ILE A 47 8.918 6.872 6.806 1.00 0.00 N ATOM 635 CA ILE A 47 10.354 7.137 7.101 1.00 0.00 C ATOM 636 C ILE A 47 10.822 6.205 8.220 1.00 0.00 C ATOM 637 O ILE A 47 10.065 5.856 9.105 1.00 0.00 O ATOM 638 CB ILE A 47 10.521 8.593 7.542 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.008 8.954 7.554 1.00 0.00 C ATOM 640 CG2 ILE A 47 9.941 8.771 8.946 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.440 9.376 6.148 1.00 0.00 C ATOM 0 H ILE A 47 8.257 7.287 7.462 1.00 0.00 H new ATOM 0 HA ILE A 47 10.951 6.958 6.207 1.00 0.00 H new ATOM 0 HB ILE A 47 9.994 9.246 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.191 9.763 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.598 8.100 7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.060 9.808 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.882 8.514 8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.467 8.118 9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.499 9.634 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.271 8.553 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.858 10.242 5.833 1.00 0.00 H new ATOM 653 N ALA A 48 12.062 5.798 8.194 1.00 0.00 N ATOM 654 CA ALA A 48 12.569 4.889 9.260 1.00 0.00 C ATOM 655 C ALA A 48 12.437 5.577 10.619 1.00 0.00 C ATOM 656 O ALA A 48 12.713 6.752 10.759 1.00 0.00 O ATOM 657 CB ALA A 48 14.038 4.555 8.996 1.00 0.00 C ATOM 0 H ALA A 48 12.745 6.056 7.481 1.00 0.00 H new ATOM 0 HA ALA A 48 11.985 3.969 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.406 3.890 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.131 4.063 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.625 5.473 8.995 1.00 0.00 H new ATOM 663 N ARG A 49 12.015 4.857 11.620 1.00 0.00 N ATOM 664 CA ARG A 49 11.864 5.472 12.969 1.00 0.00 C ATOM 665 C ARG A 49 12.842 4.813 13.942 1.00 0.00 C ATOM 666 O ARG A 49 12.472 3.960 14.724 1.00 0.00 O ATOM 667 CB ARG A 49 10.432 5.263 13.468 1.00 0.00 C ATOM 668 CG ARG A 49 9.476 6.156 12.673 1.00 0.00 C ATOM 669 CD ARG A 49 8.882 7.221 13.598 1.00 0.00 C ATOM 670 NE ARG A 49 7.460 6.887 13.892 1.00 0.00 N ATOM 671 CZ ARG A 49 6.843 7.468 14.886 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.964 8.755 15.067 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.105 6.762 15.698 1.00 0.00 N ATOM 0 H ARG A 49 11.768 3.869 11.563 1.00 0.00 H new ATOM 0 HA ARG A 49 12.076 6.539 12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.146 4.217 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.368 5.499 14.530 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.007 6.631 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.679 5.555 12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.454 7.273 14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.947 8.203 13.129 1.00 0.00 H new ATOM 0 HE ARG A 49 6.968 6.204 13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.540 9.307 14.432 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.482 9.208 15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.010 5.756 15.557 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.623 7.216 16.474 1.00 0.00 H new ATOM 687 N GLY A 50 14.086 5.203 13.909 1.00 0.00 N ATOM 688 CA GLY A 50 15.079 4.596 14.839 1.00 0.00 C ATOM 689 C GLY A 50 16.434 4.480 14.145 1.00 0.00 C ATOM 690 O GLY A 50 17.449 4.896 14.668 1.00 0.00 O ATOM 0 H GLY A 50 14.458 5.914 13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.171 5.207 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.738 3.611 15.158 1.00 0.00 H new ATOM 694 N ASP A 51 16.458 3.919 12.975 1.00 0.00 N ATOM 695 CA ASP A 51 17.752 3.778 12.248 1.00 0.00 C ATOM 696 C ASP A 51 17.594 2.824 11.065 1.00 0.00 C ATOM 697 O ASP A 51 18.009 3.114 9.960 1.00 0.00 O ATOM 698 CB ASP A 51 18.811 3.227 13.205 1.00 0.00 C ATOM 699 CG ASP A 51 19.886 4.289 13.446 1.00 0.00 C ATOM 700 OD1 ASP A 51 20.780 4.395 12.623 1.00 0.00 O ATOM 701 OD2 ASP A 51 19.795 4.979 14.447 1.00 0.00 O ATOM 0 H ASP A 51 15.641 3.551 12.487 1.00 0.00 H new ATOM 0 HA ASP A 51 18.059 4.756 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.349 2.942 14.150 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.262 2.327 12.786 1.00 0.00 H new ATOM 706 N TRP A 52 17.007 1.689 11.292 1.00 0.00 N ATOM 707 CA TRP A 52 16.828 0.704 10.185 1.00 0.00 C ATOM 708 C TRP A 52 16.376 1.430 8.917 1.00 0.00 C ATOM 709 O TRP A 52 15.945 2.564 8.959 1.00 0.00 O ATOM 710 CB TRP A 52 15.777 -0.334 10.585 1.00 0.00 C ATOM 711 CG TRP A 52 14.592 0.352 11.183 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.606 0.955 10.480 1.00 0.00 C ATOM 713 CD2 TRP A 52 14.250 0.511 12.589 1.00 0.00 C ATOM 714 NE1 TRP A 52 12.679 1.473 11.366 1.00 0.00 N ATOM 715 CE2 TRP A 52 13.032 1.225 12.678 1.00 0.00 C ATOM 716 CE3 TRP A 52 14.872 0.109 13.782 1.00 0.00 C ATOM 717 CZ2 TRP A 52 12.451 1.529 13.910 1.00 0.00 C ATOM 718 CZ3 TRP A 52 14.291 0.413 15.024 1.00 0.00 C ATOM 719 CH2 TRP A 52 13.083 1.121 15.088 1.00 0.00 C ATOM 0 H TRP A 52 16.640 1.395 12.197 1.00 0.00 H new ATOM 0 HA TRP A 52 17.776 0.202 9.994 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.472 -0.912 9.712 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.201 -1.038 11.301 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.552 1.021 9.403 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.838 1.977 11.085 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.803 -0.437 13.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.520 2.075 13.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.778 0.099 15.935 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.641 1.351 16.046 1.00 0.00 H new ATOM 730 N ASN A 53 16.475 0.782 7.787 1.00 0.00 N ATOM 731 CA ASN A 53 16.055 1.432 6.514 1.00 0.00 C ATOM 732 C ASN A 53 14.564 1.765 6.579 1.00 0.00 C ATOM 733 O ASN A 53 13.800 1.113 7.264 1.00 0.00 O ATOM 734 CB ASN A 53 16.316 0.482 5.344 1.00 0.00 C ATOM 735 CG ASN A 53 17.696 0.768 4.748 1.00 0.00 C ATOM 736 OD1 ASN A 53 18.705 0.517 5.375 1.00 0.00 O ATOM 737 ND2 ASN A 53 17.783 1.287 3.553 1.00 0.00 N ATOM 0 H ASN A 53 16.829 -0.170 7.692 1.00 0.00 H new ATOM 0 HA ASN A 53 16.626 2.349 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.263 -0.552 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.547 0.607 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 18.698 1.481 3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.936 1.498 3.026 1.00 0.00 H new ATOM 744 N ASP A 54 14.143 2.777 5.872 1.00 0.00 N ATOM 745 CA ASP A 54 12.702 3.156 5.892 1.00 0.00 C ATOM 746 C ASP A 54 11.861 2.001 5.344 1.00 0.00 C ATOM 747 O ASP A 54 12.263 0.855 5.380 1.00 0.00 O ATOM 748 CB ASP A 54 12.494 4.395 5.020 1.00 0.00 C ATOM 749 CG ASP A 54 13.519 5.465 5.399 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.686 5.274 5.096 1.00 0.00 O ATOM 751 OD2 ASP A 54 13.119 6.458 5.985 1.00 0.00 O ATOM 0 H ASP A 54 14.736 3.359 5.280 1.00 0.00 H new ATOM 0 HA ASP A 54 12.396 3.372 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.599 4.133 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.483 4.781 5.154 1.00 0.00 H new ATOM 756 N ASP A 55 10.695 2.296 4.838 1.00 0.00 N ATOM 757 CA ASP A 55 9.826 1.217 4.287 1.00 0.00 C ATOM 758 C ASP A 55 9.601 1.460 2.793 1.00 0.00 C ATOM 759 O ASP A 55 9.616 2.582 2.327 1.00 0.00 O ATOM 760 CB ASP A 55 8.480 1.226 5.014 1.00 0.00 C ATOM 761 CG ASP A 55 8.692 0.882 6.489 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.261 -0.163 6.757 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.283 1.670 7.325 1.00 0.00 O ATOM 0 H ASP A 55 10.306 3.237 4.782 1.00 0.00 H new ATOM 0 HA ASP A 55 10.309 0.250 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.012 2.206 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.803 0.505 4.556 1.00 0.00 H new ATOM 768 N ARG A 56 9.392 0.417 2.036 1.00 0.00 N ATOM 769 CA ARG A 56 9.167 0.585 0.572 1.00 0.00 C ATOM 770 C ARG A 56 7.946 -0.232 0.148 1.00 0.00 C ATOM 771 O ARG A 56 7.794 -1.376 0.526 1.00 0.00 O ATOM 772 CB ARG A 56 10.397 0.092 -0.190 1.00 0.00 C ATOM 773 CG ARG A 56 11.608 0.951 0.182 1.00 0.00 C ATOM 774 CD ARG A 56 11.721 2.129 -0.789 1.00 0.00 C ATOM 775 NE ARG A 56 12.960 2.902 -0.490 1.00 0.00 N ATOM 776 CZ ARG A 56 13.792 3.197 -1.450 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.600 4.267 -2.173 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.818 2.426 -1.686 1.00 0.00 N ATOM 0 H ARG A 56 9.367 -0.547 2.370 1.00 0.00 H new ATOM 0 HA ARG A 56 8.996 1.638 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.592 -0.953 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.217 0.144 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.506 1.317 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.517 0.350 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.745 1.766 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.847 2.774 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 56 13.157 3.200 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.800 4.871 -1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.250 4.498 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.970 1.592 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.468 2.658 -2.437 1.00 0.00 H new ATOM 792 N CYS A 57 7.075 0.344 -0.635 1.00 0.00 N ATOM 793 CA CYS A 57 5.869 -0.408 -1.078 1.00 0.00 C ATOM 794 C CYS A 57 6.264 -1.407 -2.158 1.00 0.00 C ATOM 795 O CYS A 57 7.285 -1.260 -2.805 1.00 0.00 O ATOM 796 CB CYS A 57 4.828 0.557 -1.639 1.00 0.00 C ATOM 797 SG CYS A 57 3.893 1.285 -0.275 1.00 0.00 S ATOM 0 H CYS A 57 7.147 1.299 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 57 5.444 -0.936 -0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.316 1.340 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.155 0.031 -2.316 1.00 0.00 H new ATOM 802 N THR A 58 5.460 -2.424 -2.350 1.00 0.00 N ATOM 803 CA THR A 58 5.773 -3.454 -3.380 1.00 0.00 C ATOM 804 C THR A 58 5.369 -2.952 -4.767 1.00 0.00 C ATOM 805 O THR A 58 5.668 -3.568 -5.771 1.00 0.00 O ATOM 806 CB THR A 58 5.016 -4.750 -3.066 1.00 0.00 C ATOM 807 OG1 THR A 58 4.959 -5.556 -4.234 1.00 0.00 O ATOM 808 CG2 THR A 58 3.595 -4.423 -2.603 1.00 0.00 C ATOM 0 H THR A 58 4.596 -2.583 -1.832 1.00 0.00 H new ATOM 0 HA THR A 58 6.846 -3.647 -3.368 1.00 0.00 H new ATOM 0 HB THR A 58 5.536 -5.288 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.537 -5.171 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.063 -5.348 -2.382 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.638 -3.805 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.071 -3.882 -3.391 1.00 0.00 H new ATOM 816 N GLY A 59 4.690 -1.840 -4.836 1.00 0.00 N ATOM 817 CA GLY A 59 4.269 -1.309 -6.165 1.00 0.00 C ATOM 818 C GLY A 59 2.946 -1.952 -6.575 1.00 0.00 C ATOM 819 O GLY A 59 2.269 -1.487 -7.470 1.00 0.00 O ATOM 0 H GLY A 59 4.409 -1.277 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.160 -0.226 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.035 -1.520 -6.912 1.00 0.00 H new ATOM 823 N GLN A 60 2.569 -3.021 -5.928 1.00 0.00 N ATOM 824 CA GLN A 60 1.291 -3.692 -6.280 1.00 0.00 C ATOM 825 C GLN A 60 0.336 -3.613 -5.090 1.00 0.00 C ATOM 826 O GLN A 60 -0.830 -3.935 -5.196 1.00 0.00 O ATOM 827 CB GLN A 60 1.558 -5.161 -6.618 1.00 0.00 C ATOM 828 CG GLN A 60 2.809 -5.268 -7.492 1.00 0.00 C ATOM 829 CD GLN A 60 3.047 -6.734 -7.864 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.964 -7.100 -9.020 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.343 -7.593 -6.928 1.00 0.00 N ATOM 0 H GLN A 60 3.094 -3.457 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 60 0.846 -3.197 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.692 -5.737 -5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.700 -5.586 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.688 -4.668 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.673 -4.872 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.413 -7.286 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.505 -8.571 -7.166 1.00 0.00 H new ATOM 840 N SER A 61 0.820 -3.193 -3.951 1.00 0.00 N ATOM 841 CA SER A 61 -0.074 -3.106 -2.761 1.00 0.00 C ATOM 842 C SER A 61 -0.208 -1.650 -2.305 1.00 0.00 C ATOM 843 O SER A 61 0.762 -1.007 -1.953 1.00 0.00 O ATOM 844 CB SER A 61 0.512 -3.942 -1.622 1.00 0.00 C ATOM 845 OG SER A 61 -0.364 -3.891 -0.502 1.00 0.00 O ATOM 0 H SER A 61 1.787 -2.909 -3.794 1.00 0.00 H new ATOM 0 HA SER A 61 -1.059 -3.487 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.647 -4.974 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.496 -3.563 -1.346 1.00 0.00 H new ATOM 0 HG SER A 61 0.017 -3.306 0.185 1.00 0.00 H new ATOM 851 N ALA A 62 -1.408 -1.130 -2.295 1.00 0.00 N ATOM 852 CA ALA A 62 -1.609 0.278 -1.844 1.00 0.00 C ATOM 853 C ALA A 62 -1.205 0.379 -0.377 1.00 0.00 C ATOM 854 O ALA A 62 -0.588 1.337 0.046 1.00 0.00 O ATOM 855 CB ALA A 62 -3.083 0.660 -1.991 1.00 0.00 C ATOM 0 H ALA A 62 -2.256 -1.620 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.003 0.952 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.227 1.689 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.380 0.569 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.694 -0.006 -1.381 1.00 0.00 H new ATOM 861 N ASP A 63 -1.535 -0.614 0.402 1.00 0.00 N ATOM 862 CA ASP A 63 -1.153 -0.587 1.835 1.00 0.00 C ATOM 863 C ASP A 63 0.315 -0.982 1.933 1.00 0.00 C ATOM 864 O ASP A 63 0.683 -2.116 1.698 1.00 0.00 O ATOM 865 CB ASP A 63 -2.012 -1.580 2.620 1.00 0.00 C ATOM 866 CG ASP A 63 -3.023 -0.814 3.478 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.596 0.029 4.249 1.00 0.00 O ATOM 868 OD2 ASP A 63 -4.205 -1.085 3.347 1.00 0.00 O ATOM 0 H ASP A 63 -2.053 -1.441 0.105 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.308 0.408 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.533 -2.248 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.380 -2.203 3.253 1.00 0.00 H new ATOM 873 N CYS A 64 1.163 -0.050 2.249 1.00 0.00 N ATOM 874 CA CYS A 64 2.612 -0.360 2.331 1.00 0.00 C ATOM 875 C CYS A 64 2.835 -1.611 3.177 1.00 0.00 C ATOM 876 O CYS A 64 2.226 -1.782 4.213 1.00 0.00 O ATOM 877 CB CYS A 64 3.349 0.836 2.928 1.00 0.00 C ATOM 878 SG CYS A 64 5.052 0.369 3.324 1.00 0.00 S ATOM 0 H CYS A 64 0.914 0.917 2.455 1.00 0.00 H new ATOM 0 HA CYS A 64 3.002 -0.554 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.344 1.667 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.837 1.179 3.827 1.00 0.00 H new ATOM 883 N PRO A 65 3.705 -2.458 2.682 1.00 0.00 N ATOM 884 CA PRO A 65 4.042 -3.724 3.337 1.00 0.00 C ATOM 885 C PRO A 65 5.028 -3.489 4.484 1.00 0.00 C ATOM 886 O PRO A 65 5.237 -2.374 4.920 1.00 0.00 O ATOM 887 CB PRO A 65 4.702 -4.530 2.217 1.00 0.00 C ATOM 888 CG PRO A 65 5.216 -3.517 1.177 1.00 0.00 C ATOM 889 CD PRO A 65 4.438 -2.222 1.418 1.00 0.00 C ATOM 0 HA PRO A 65 3.179 -4.225 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.522 -5.132 2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.988 -5.218 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.288 -3.354 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.055 -3.885 0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.108 -1.366 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.754 -2.012 0.596 1.00 0.00 H new ATOM 897 N ARG A 66 5.641 -4.532 4.972 1.00 0.00 N ATOM 898 CA ARG A 66 6.618 -4.371 6.084 1.00 0.00 C ATOM 899 C ARG A 66 8.038 -4.468 5.521 1.00 0.00 C ATOM 900 O ARG A 66 8.453 -5.501 5.033 1.00 0.00 O ATOM 901 CB ARG A 66 6.403 -5.476 7.119 1.00 0.00 C ATOM 902 CG ARG A 66 6.569 -6.842 6.449 1.00 0.00 C ATOM 903 CD ARG A 66 7.798 -7.547 7.026 1.00 0.00 C ATOM 904 NE ARG A 66 7.410 -8.902 7.509 1.00 0.00 N ATOM 905 CZ ARG A 66 6.961 -9.791 6.666 1.00 0.00 C ATOM 906 NH1 ARG A 66 7.372 -9.781 5.428 1.00 0.00 N ATOM 907 NH2 ARG A 66 6.101 -10.689 7.061 1.00 0.00 N ATOM 0 H ARG A 66 5.507 -5.490 4.648 1.00 0.00 H new ATOM 0 HA ARG A 66 6.476 -3.400 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.119 -5.370 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.408 -5.392 7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.679 -7.449 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.679 -6.720 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.575 -7.629 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.215 -6.962 7.846 1.00 0.00 H new ATOM 0 HE ARG A 66 7.495 -9.135 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.044 -9.078 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.021 -10.476 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.779 -10.696 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.750 -11.384 6.402 1.00 0.00 H new ATOM 921 N ASN A 67 8.786 -3.400 5.581 1.00 0.00 N ATOM 922 CA ASN A 67 10.176 -3.437 5.044 1.00 0.00 C ATOM 923 C ASN A 67 11.169 -3.098 6.158 1.00 0.00 C ATOM 924 O ASN A 67 12.358 -2.999 5.932 1.00 0.00 O ATOM 925 CB ASN A 67 10.310 -2.416 3.913 1.00 0.00 C ATOM 926 CG ASN A 67 10.225 -3.135 2.566 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.128 -3.046 1.758 1.00 0.00 O ATOM 928 ND2 ASN A 67 9.170 -3.850 2.287 1.00 0.00 N ATOM 0 H ASN A 67 8.496 -2.506 5.977 1.00 0.00 H new ATOM 0 HA ASN A 67 10.390 -4.435 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.521 -1.668 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.260 -1.887 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.104 -4.334 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.411 -3.925 2.965 1.00 0.00 H new ATOM 935 N GLY A 68 10.692 -2.920 7.359 1.00 0.00 N ATOM 936 CA GLY A 68 11.612 -2.591 8.482 1.00 0.00 C ATOM 937 C GLY A 68 11.622 -3.747 9.482 1.00 0.00 C ATOM 938 O GLY A 68 11.946 -4.870 9.146 1.00 0.00 O ATOM 0 H GLY A 68 9.706 -2.988 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.619 -2.414 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.291 -1.673 8.973 1.00 0.00 H new