USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=6 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 8 SER OG : rot 180:sc= 0.0143 USER MOD Set 1.2: A 11 ASN : amide:sc= -2.59 K(o=-2.6,f=-18!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -1.02! C(o=-1!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 46:sc= -0.0486 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0937 K(o=-0.094,f=-2.5!) USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.124 USER MOD Single : A 60 GLN : amide:sc= -0.546 K(o=-0.55,f=-3.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -16.876 -5.705 0.807 1.00 0.00 N ATOM 31 CA GLU A 3 -17.912 -4.666 0.552 1.00 0.00 C ATOM 32 C GLU A 3 -17.325 -3.278 0.814 1.00 0.00 C ATOM 33 O GLU A 3 -18.031 -2.352 1.162 1.00 0.00 O ATOM 34 CB GLU A 3 -19.109 -4.902 1.475 1.00 0.00 C ATOM 35 CG GLU A 3 -20.240 -5.567 0.687 1.00 0.00 C ATOM 36 CD GLU A 3 -21.587 -5.038 1.181 1.00 0.00 C ATOM 37 OE1 GLU A 3 -21.877 -5.218 2.353 1.00 0.00 O ATOM 38 OE2 GLU A 3 -22.305 -4.463 0.381 1.00 0.00 O ATOM 0 HA GLU A 3 -18.238 -4.727 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.816 -5.534 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.451 -3.955 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.125 -5.362 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.195 -6.649 0.810 1.00 0.00 H new ATOM 45 N CYS A 4 -16.041 -3.123 0.640 1.00 0.00 N ATOM 46 CA CYS A 4 -15.415 -1.790 0.865 1.00 0.00 C ATOM 47 C CYS A 4 -13.913 -1.877 0.586 1.00 0.00 C ATOM 48 O CYS A 4 -13.234 -2.768 1.055 1.00 0.00 O ATOM 49 CB CYS A 4 -15.635 -1.339 2.312 1.00 0.00 C ATOM 50 SG CYS A 4 -14.793 0.243 2.576 1.00 0.00 S ATOM 0 H CYS A 4 -15.399 -3.861 0.352 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.875 -1.067 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -16.701 -1.236 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.250 -2.090 3.002 1.00 0.00 H new ATOM 55 N ASP A 5 -13.386 -0.952 -0.169 1.00 0.00 N ATOM 56 CA ASP A 5 -11.928 -0.974 -0.471 1.00 0.00 C ATOM 57 C ASP A 5 -11.282 0.308 0.060 1.00 0.00 C ATOM 58 O ASP A 5 -10.076 0.454 0.060 1.00 0.00 O ATOM 59 CB ASP A 5 -11.719 -1.063 -1.985 1.00 0.00 C ATOM 60 CG ASP A 5 -10.286 -1.514 -2.275 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.378 -0.748 -2.001 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.122 -2.619 -2.765 1.00 0.00 O ATOM 0 H ASP A 5 -13.904 -0.181 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.470 -1.839 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.428 -1.767 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.907 -0.094 -2.447 1.00 0.00 H new ATOM 67 N CYS A 6 -12.076 1.238 0.517 1.00 0.00 N ATOM 68 CA CYS A 6 -11.512 2.508 1.053 1.00 0.00 C ATOM 69 C CYS A 6 -12.350 2.965 2.247 1.00 0.00 C ATOM 70 O CYS A 6 -13.557 2.817 2.262 1.00 0.00 O ATOM 71 CB CYS A 6 -11.540 3.583 -0.035 1.00 0.00 C ATOM 72 SG CYS A 6 -13.252 4.082 -0.353 1.00 0.00 S ATOM 0 H CYS A 6 -13.094 1.172 0.542 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.482 2.346 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.951 4.446 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.086 3.201 -0.949 1.00 0.00 H new ATOM 77 N SER A 7 -11.726 3.522 3.246 1.00 0.00 N ATOM 78 CA SER A 7 -12.494 3.984 4.434 1.00 0.00 C ATOM 79 C SER A 7 -12.892 5.450 4.245 1.00 0.00 C ATOM 80 O SER A 7 -13.456 6.067 5.128 1.00 0.00 O ATOM 81 CB SER A 7 -11.628 3.847 5.685 1.00 0.00 C ATOM 82 OG SER A 7 -10.316 4.313 5.401 1.00 0.00 O ATOM 0 H SER A 7 -10.719 3.677 3.291 1.00 0.00 H new ATOM 0 HA SER A 7 -13.392 3.376 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.060 4.420 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.595 2.806 6.006 1.00 0.00 H new ATOM 0 HG SER A 7 -9.758 4.228 6.202 1.00 0.00 H new ATOM 88 N SER A 8 -12.603 6.016 3.103 1.00 0.00 N ATOM 89 CA SER A 8 -12.966 7.442 2.870 1.00 0.00 C ATOM 90 C SER A 8 -14.186 7.517 1.939 1.00 0.00 C ATOM 91 O SER A 8 -14.127 7.057 0.816 1.00 0.00 O ATOM 92 CB SER A 8 -11.785 8.164 2.220 1.00 0.00 C ATOM 93 OG SER A 8 -10.799 7.211 1.847 1.00 0.00 O ATOM 0 H SER A 8 -12.133 5.553 2.325 1.00 0.00 H new ATOM 0 HA SER A 8 -13.207 7.916 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.121 8.719 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.361 8.890 2.914 1.00 0.00 H new ATOM 0 HG SER A 8 -10.041 7.671 1.428 1.00 0.00 H new ATOM 99 N PRO A 9 -15.256 8.097 2.428 1.00 0.00 N ATOM 100 CA PRO A 9 -16.500 8.243 1.650 1.00 0.00 C ATOM 101 C PRO A 9 -16.374 9.396 0.649 1.00 0.00 C ATOM 102 O PRO A 9 -17.004 9.398 -0.390 1.00 0.00 O ATOM 103 CB PRO A 9 -17.555 8.556 2.715 1.00 0.00 C ATOM 104 CG PRO A 9 -16.790 9.125 3.933 1.00 0.00 C ATOM 105 CD PRO A 9 -15.330 8.657 3.793 1.00 0.00 C ATOM 0 HA PRO A 9 -16.744 7.358 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.282 9.277 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.109 7.658 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.848 10.213 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.224 8.766 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.633 9.485 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.078 7.908 4.544 1.00 0.00 H new ATOM 113 N GLU A 10 -15.564 10.375 0.951 1.00 0.00 N ATOM 114 CA GLU A 10 -15.400 11.525 0.014 1.00 0.00 C ATOM 115 C GLU A 10 -14.240 11.238 -0.940 1.00 0.00 C ATOM 116 O GLU A 10 -13.595 12.139 -1.439 1.00 0.00 O ATOM 117 CB GLU A 10 -15.102 12.796 0.811 1.00 0.00 C ATOM 118 CG GLU A 10 -15.518 14.019 -0.008 1.00 0.00 C ATOM 119 CD GLU A 10 -14.617 15.203 0.345 1.00 0.00 C ATOM 120 OE1 GLU A 10 -14.627 15.608 1.496 1.00 0.00 O ATOM 121 OE2 GLU A 10 -13.930 15.685 -0.541 1.00 0.00 O ATOM 0 H GLU A 10 -15.009 10.429 1.805 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.318 11.663 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.641 12.779 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.040 12.848 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.445 13.798 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.559 14.268 0.195 1.00 0.00 H new ATOM 128 N ASN A 11 -13.968 9.987 -1.194 1.00 0.00 N ATOM 129 CA ASN A 11 -12.851 9.637 -2.113 1.00 0.00 C ATOM 130 C ASN A 11 -13.421 9.305 -3.498 1.00 0.00 C ATOM 131 O ASN A 11 -14.306 8.481 -3.616 1.00 0.00 O ATOM 132 CB ASN A 11 -12.113 8.415 -1.558 1.00 0.00 C ATOM 133 CG ASN A 11 -10.835 8.176 -2.360 1.00 0.00 C ATOM 134 OD1 ASN A 11 -10.807 8.381 -3.557 1.00 0.00 O ATOM 135 ND2 ASN A 11 -9.767 7.745 -1.745 1.00 0.00 N ATOM 0 H ASN A 11 -14.473 9.192 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.161 10.477 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.870 8.571 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.756 7.536 -1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.908 7.580 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.792 7.573 -0.740 1.00 0.00 H new ATOM 142 N PRO A 12 -12.901 9.957 -4.511 1.00 0.00 N ATOM 143 CA PRO A 12 -13.347 9.744 -5.899 1.00 0.00 C ATOM 144 C PRO A 12 -12.748 8.450 -6.455 1.00 0.00 C ATOM 145 O PRO A 12 -13.057 8.030 -7.553 1.00 0.00 O ATOM 146 CB PRO A 12 -12.804 10.966 -6.644 1.00 0.00 C ATOM 147 CG PRO A 12 -11.624 11.501 -5.798 1.00 0.00 C ATOM 148 CD PRO A 12 -11.825 10.959 -4.371 1.00 0.00 C ATOM 0 HA PRO A 12 -14.428 9.644 -5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.472 10.695 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.576 11.726 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.671 11.168 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.609 12.591 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.911 10.510 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.108 11.753 -3.680 1.00 0.00 H new ATOM 156 N CYS A 13 -11.891 7.815 -5.702 1.00 0.00 N ATOM 157 CA CYS A 13 -11.270 6.549 -6.180 1.00 0.00 C ATOM 158 C CYS A 13 -12.210 5.377 -5.884 1.00 0.00 C ATOM 159 O CYS A 13 -12.105 4.321 -6.476 1.00 0.00 O ATOM 160 CB CYS A 13 -9.940 6.331 -5.452 1.00 0.00 C ATOM 161 SG CYS A 13 -8.738 7.570 -5.995 1.00 0.00 S ATOM 0 H CYS A 13 -11.594 8.120 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.093 6.611 -7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.088 6.402 -4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.562 5.329 -5.657 1.00 0.00 H new ATOM 166 N CYS A 14 -13.126 5.550 -4.967 1.00 0.00 N ATOM 167 CA CYS A 14 -14.059 4.435 -4.637 1.00 0.00 C ATOM 168 C CYS A 14 -15.484 4.961 -4.474 1.00 0.00 C ATOM 169 O CYS A 14 -15.715 6.141 -4.303 1.00 0.00 O ATOM 170 CB CYS A 14 -13.615 3.767 -3.336 1.00 0.00 C ATOM 171 SG CYS A 14 -13.168 5.039 -2.129 1.00 0.00 S ATOM 0 H CYS A 14 -13.267 6.409 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.041 3.711 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.417 3.143 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.764 3.112 -3.523 1.00 0.00 H new ATOM 176 N ASP A 15 -16.440 4.076 -4.526 1.00 0.00 N ATOM 177 CA ASP A 15 -17.860 4.481 -4.376 1.00 0.00 C ATOM 178 C ASP A 15 -18.283 4.296 -2.919 1.00 0.00 C ATOM 179 O ASP A 15 -17.987 3.288 -2.302 1.00 0.00 O ATOM 180 CB ASP A 15 -18.726 3.596 -5.271 1.00 0.00 C ATOM 181 CG ASP A 15 -20.019 4.331 -5.622 1.00 0.00 C ATOM 182 OD1 ASP A 15 -19.996 5.550 -5.652 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.013 3.663 -5.855 1.00 0.00 O ATOM 0 H ASP A 15 -16.293 3.077 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.981 5.526 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.183 3.340 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.955 2.660 -4.762 1.00 0.00 H new ATOM 188 N ALA A 16 -18.975 5.257 -2.366 1.00 0.00 N ATOM 189 CA ALA A 16 -19.421 5.140 -0.950 1.00 0.00 C ATOM 190 C ALA A 16 -20.614 4.188 -0.868 1.00 0.00 C ATOM 191 O ALA A 16 -20.767 3.449 0.085 1.00 0.00 O ATOM 192 CB ALA A 16 -19.833 6.518 -0.429 1.00 0.00 C ATOM 0 H ALA A 16 -19.250 6.119 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.603 4.751 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.159 6.432 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.983 7.198 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.651 6.907 -1.036 1.00 0.00 H new ATOM 198 N ALA A 17 -21.462 4.194 -1.860 1.00 0.00 N ATOM 199 CA ALA A 17 -22.641 3.284 -1.834 1.00 0.00 C ATOM 200 C ALA A 17 -22.166 1.866 -1.518 1.00 0.00 C ATOM 201 O ALA A 17 -22.842 1.104 -0.857 1.00 0.00 O ATOM 202 CB ALA A 17 -23.331 3.298 -3.199 1.00 0.00 C ATOM 0 H ALA A 17 -21.389 4.789 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.346 3.617 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.193 2.632 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.661 4.311 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.631 2.961 -3.964 1.00 0.00 H new ATOM 208 N THR A 18 -21.000 1.511 -1.982 1.00 0.00 N ATOM 209 CA THR A 18 -20.469 0.148 -1.708 1.00 0.00 C ATOM 210 C THR A 18 -19.170 0.267 -0.910 1.00 0.00 C ATOM 211 O THR A 18 -18.703 -0.687 -0.320 1.00 0.00 O ATOM 212 CB THR A 18 -20.188 -0.568 -3.032 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.990 -0.056 -3.600 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.353 -0.337 -3.994 1.00 0.00 C ATOM 0 H THR A 18 -20.391 2.109 -2.541 1.00 0.00 H new ATOM 0 HA THR A 18 -21.202 -0.422 -1.137 1.00 0.00 H new ATOM 0 HB THR A 18 -20.076 -1.637 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.808 -0.514 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.153 -0.847 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.270 -0.731 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.468 0.731 -4.177 1.00 0.00 H new ATOM 222 N CYS A 19 -18.581 1.432 -0.889 1.00 0.00 N ATOM 223 CA CYS A 19 -17.309 1.609 -0.131 1.00 0.00 C ATOM 224 C CYS A 19 -16.169 0.950 -0.908 1.00 0.00 C ATOM 225 O CYS A 19 -15.090 0.748 -0.392 1.00 0.00 O ATOM 226 CB CYS A 19 -17.438 0.931 1.236 1.00 0.00 C ATOM 227 SG CYS A 19 -16.240 1.645 2.391 1.00 0.00 S ATOM 0 H CYS A 19 -18.925 2.267 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.104 2.671 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.449 1.059 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.268 -0.141 1.138 1.00 0.00 H new ATOM 232 N LYS A 20 -16.405 0.603 -2.144 1.00 0.00 N ATOM 233 CA LYS A 20 -15.338 -0.065 -2.947 1.00 0.00 C ATOM 234 C LYS A 20 -14.925 0.823 -4.120 1.00 0.00 C ATOM 235 O LYS A 20 -15.443 1.903 -4.306 1.00 0.00 O ATOM 236 CB LYS A 20 -15.872 -1.394 -3.487 1.00 0.00 C ATOM 237 CG LYS A 20 -16.624 -2.136 -2.379 1.00 0.00 C ATOM 238 CD LYS A 20 -17.178 -3.453 -2.929 1.00 0.00 C ATOM 239 CE LYS A 20 -16.096 -4.534 -2.858 1.00 0.00 C ATOM 240 NZ LYS A 20 -16.187 -5.406 -4.062 1.00 0.00 N ATOM 0 H LYS A 20 -17.288 0.752 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.471 -0.240 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.536 -1.214 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.048 -2.006 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.956 -2.333 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.438 -1.517 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.052 -3.760 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.506 -3.319 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.110 -4.073 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.221 -5.130 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.452 -6.141 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.124 -5.855 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.048 -4.832 -4.918 1.00 0.00 H new ATOM 254 N LEU A 21 -13.993 0.372 -4.916 1.00 0.00 N ATOM 255 CA LEU A 21 -13.547 1.187 -6.080 1.00 0.00 C ATOM 256 C LEU A 21 -14.734 1.425 -7.017 1.00 0.00 C ATOM 257 O LEU A 21 -15.492 0.521 -7.311 1.00 0.00 O ATOM 258 CB LEU A 21 -12.444 0.439 -6.831 1.00 0.00 C ATOM 259 CG LEU A 21 -11.087 0.792 -6.221 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.689 -0.276 -5.202 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.034 0.858 -7.328 1.00 0.00 C ATOM 0 H LEU A 21 -13.522 -0.526 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.162 2.145 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.613 -0.636 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.461 0.707 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.154 1.759 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.722 -0.023 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.439 -0.323 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.622 -1.245 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.066 1.110 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.968 -0.109 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.316 1.621 -8.054 1.00 0.00 H new ATOM 273 N ARG A 22 -14.911 2.631 -7.484 1.00 0.00 N ATOM 274 CA ARG A 22 -16.059 2.912 -8.393 1.00 0.00 C ATOM 275 C ARG A 22 -15.643 2.641 -9.852 1.00 0.00 C ATOM 276 O ARG A 22 -16.197 1.766 -10.486 1.00 0.00 O ATOM 277 CB ARG A 22 -16.526 4.367 -8.197 1.00 0.00 C ATOM 278 CG ARG A 22 -17.051 4.954 -9.513 1.00 0.00 C ATOM 279 CD ARG A 22 -17.411 6.430 -9.316 1.00 0.00 C ATOM 280 NE ARG A 22 -17.938 6.642 -7.936 1.00 0.00 N ATOM 281 CZ ARG A 22 -18.980 7.403 -7.747 1.00 0.00 C ATOM 282 NH1 ARG A 22 -20.145 7.043 -8.212 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.856 8.526 -7.093 1.00 0.00 N ATOM 0 H ARG A 22 -14.313 3.431 -7.277 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.895 2.254 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.309 4.403 -7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.698 4.973 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.296 4.855 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.927 4.398 -9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.532 7.053 -9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.157 6.733 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.484 6.192 -7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.241 6.166 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.960 7.639 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.945 8.807 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.670 9.122 -6.944 1.00 0.00 H new ATOM 297 N PRO A 23 -14.680 3.385 -10.344 1.00 0.00 N ATOM 298 CA PRO A 23 -14.190 3.215 -11.725 1.00 0.00 C ATOM 299 C PRO A 23 -13.302 1.973 -11.820 1.00 0.00 C ATOM 300 O PRO A 23 -13.301 1.131 -10.944 1.00 0.00 O ATOM 301 CB PRO A 23 -13.373 4.484 -11.981 1.00 0.00 C ATOM 302 CG PRO A 23 -12.969 5.025 -10.591 1.00 0.00 C ATOM 303 CD PRO A 23 -13.991 4.455 -9.590 1.00 0.00 C ATOM 0 HA PRO A 23 -14.992 3.079 -12.450 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.492 4.265 -12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.960 5.221 -12.530 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.957 4.714 -10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.980 6.115 -10.580 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.500 4.062 -8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.691 5.221 -9.256 1.00 0.00 H new ATOM 311 N GLY A 24 -12.543 1.854 -12.873 1.00 0.00 N ATOM 312 CA GLY A 24 -11.654 0.669 -13.015 1.00 0.00 C ATOM 313 C GLY A 24 -10.301 0.980 -12.374 1.00 0.00 C ATOM 314 O GLY A 24 -9.258 0.692 -12.928 1.00 0.00 O ATOM 0 H GLY A 24 -12.500 2.525 -13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.106 -0.200 -12.537 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.523 0.421 -14.068 1.00 0.00 H new ATOM 318 N ALA A 25 -10.311 1.569 -11.210 1.00 0.00 N ATOM 319 CA ALA A 25 -9.029 1.905 -10.530 1.00 0.00 C ATOM 320 C ALA A 25 -8.451 0.650 -9.875 1.00 0.00 C ATOM 321 O ALA A 25 -9.077 -0.392 -9.843 1.00 0.00 O ATOM 322 CB ALA A 25 -9.287 2.967 -9.459 1.00 0.00 C ATOM 0 H ALA A 25 -11.154 1.833 -10.700 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.319 2.289 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.350 3.215 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.697 3.862 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.997 2.581 -8.728 1.00 0.00 H new ATOM 328 N GLN A 26 -7.259 0.741 -9.351 1.00 0.00 N ATOM 329 CA GLN A 26 -6.635 -0.443 -8.697 1.00 0.00 C ATOM 330 C GLN A 26 -6.619 -0.240 -7.180 1.00 0.00 C ATOM 331 O GLN A 26 -6.143 -1.077 -6.438 1.00 0.00 O ATOM 332 CB GLN A 26 -5.200 -0.602 -9.203 1.00 0.00 C ATOM 333 CG GLN A 26 -5.062 -1.928 -9.952 1.00 0.00 C ATOM 334 CD GLN A 26 -4.857 -1.655 -11.443 1.00 0.00 C ATOM 335 OE1 GLN A 26 -5.802 -1.395 -12.160 1.00 0.00 O ATOM 336 NE2 GLN A 26 -3.652 -1.703 -11.942 1.00 0.00 N ATOM 0 H GLN A 26 -6.689 1.587 -9.348 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.210 -1.337 -8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.942 0.227 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.503 -0.572 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.219 -2.495 -9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.954 -2.536 -9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.859 -1.921 -11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.504 -1.522 -12.935 1.00 0.00 H new ATOM 345 N CYS A 27 -7.123 0.869 -6.711 1.00 0.00 N ATOM 346 CA CYS A 27 -7.123 1.123 -5.243 1.00 0.00 C ATOM 347 C CYS A 27 -7.946 2.374 -4.934 1.00 0.00 C ATOM 348 O CYS A 27 -8.069 3.266 -5.749 1.00 0.00 O ATOM 349 CB CYS A 27 -5.687 1.345 -4.781 1.00 0.00 C ATOM 350 SG CYS A 27 -4.974 2.705 -5.732 1.00 0.00 S ATOM 0 H CYS A 27 -7.534 1.609 -7.280 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.558 0.268 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.665 1.577 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.100 0.437 -4.922 1.00 0.00 H new ATOM 355 N GLY A 28 -8.491 2.456 -3.753 1.00 0.00 N ATOM 356 CA GLY A 28 -9.284 3.657 -3.382 1.00 0.00 C ATOM 357 C GLY A 28 -8.404 4.565 -2.539 1.00 0.00 C ATOM 358 O GLY A 28 -8.370 5.766 -2.718 1.00 0.00 O ATOM 0 H GLY A 28 -8.421 1.741 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.623 4.180 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.175 3.367 -2.825 1.00 0.00 H new ATOM 362 N GLU A 29 -7.690 3.993 -1.620 1.00 0.00 N ATOM 363 CA GLU A 29 -6.804 4.804 -0.758 1.00 0.00 C ATOM 364 C GLU A 29 -5.590 3.963 -0.352 1.00 0.00 C ATOM 365 O GLU A 29 -5.385 2.877 -0.858 1.00 0.00 O ATOM 366 CB GLU A 29 -7.590 5.228 0.473 1.00 0.00 C ATOM 367 CG GLU A 29 -8.008 3.985 1.257 1.00 0.00 C ATOM 368 CD GLU A 29 -7.253 3.939 2.586 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.182 4.967 3.240 1.00 0.00 O ATOM 370 OE2 GLU A 29 -6.757 2.878 2.928 1.00 0.00 O ATOM 0 H GLU A 29 -7.683 2.991 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.454 5.689 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.982 5.880 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.470 5.799 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.083 4.001 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.796 3.088 0.676 1.00 0.00 H new ATOM 377 N GLY A 30 -4.787 4.441 0.561 1.00 0.00 N ATOM 378 CA GLY A 30 -3.601 3.644 0.989 1.00 0.00 C ATOM 379 C GLY A 30 -2.322 4.467 0.815 1.00 0.00 C ATOM 380 O GLY A 30 -2.329 5.527 0.221 1.00 0.00 O ATOM 0 H GLY A 30 -4.900 5.342 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.711 3.345 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.537 2.729 0.400 1.00 0.00 H new ATOM 384 N LEU A 31 -1.222 3.983 1.330 1.00 0.00 N ATOM 385 CA LEU A 31 0.061 4.729 1.198 1.00 0.00 C ATOM 386 C LEU A 31 0.637 4.503 -0.199 1.00 0.00 C ATOM 387 O LEU A 31 1.505 5.224 -0.647 1.00 0.00 O ATOM 388 CB LEU A 31 1.064 4.212 2.233 1.00 0.00 C ATOM 389 CG LEU A 31 0.637 4.650 3.632 1.00 0.00 C ATOM 390 CD1 LEU A 31 -0.164 3.530 4.297 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.882 4.950 4.469 1.00 0.00 C ATOM 0 H LEU A 31 -1.158 3.100 1.837 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.123 5.791 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.122 3.125 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.060 4.595 2.010 1.00 0.00 H new ATOM 0 HG LEU A 31 0.018 5.544 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.468 3.844 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.049 3.312 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.454 2.635 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.581 5.263 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.498 4.053 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.455 5.747 3.996 1.00 0.00 H new ATOM 403 N CYS A 32 0.173 3.496 -0.884 1.00 0.00 N ATOM 404 CA CYS A 32 0.710 3.218 -2.242 1.00 0.00 C ATOM 405 C CYS A 32 -0.361 3.481 -3.298 1.00 0.00 C ATOM 406 O CYS A 32 -0.152 3.251 -4.473 1.00 0.00 O ATOM 407 CB CYS A 32 1.150 1.757 -2.316 1.00 0.00 C ATOM 408 SG CYS A 32 2.771 1.661 -3.103 1.00 0.00 S ATOM 0 H CYS A 32 -0.553 2.856 -0.562 1.00 0.00 H new ATOM 0 HA CYS A 32 1.560 3.873 -2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.193 1.327 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.423 1.175 -2.882 1.00 0.00 H new ATOM 413 N CYS A 33 -1.507 3.959 -2.901 1.00 0.00 N ATOM 414 CA CYS A 33 -2.572 4.228 -3.905 1.00 0.00 C ATOM 415 C CYS A 33 -2.424 5.653 -4.440 1.00 0.00 C ATOM 416 O CYS A 33 -2.516 6.616 -3.705 1.00 0.00 O ATOM 417 CB CYS A 33 -3.950 4.059 -3.263 1.00 0.00 C ATOM 418 SG CYS A 33 -5.215 4.302 -4.527 1.00 0.00 S ATOM 0 H CYS A 33 -1.751 4.173 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.474 3.520 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.042 3.066 -2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.081 4.779 -2.455 1.00 0.00 H new ATOM 423 N GLU A 34 -2.192 5.792 -5.717 1.00 0.00 N ATOM 424 CA GLU A 34 -2.035 7.151 -6.305 1.00 0.00 C ATOM 425 C GLU A 34 -3.011 7.316 -7.472 1.00 0.00 C ATOM 426 O GLU A 34 -2.979 6.570 -8.430 1.00 0.00 O ATOM 427 CB GLU A 34 -0.602 7.321 -6.811 1.00 0.00 C ATOM 428 CG GLU A 34 -0.438 8.713 -7.424 1.00 0.00 C ATOM 429 CD GLU A 34 0.854 9.350 -6.907 1.00 0.00 C ATOM 430 OE1 GLU A 34 1.065 9.322 -5.706 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.609 9.855 -7.721 1.00 0.00 O ATOM 0 H GLU A 34 -2.104 5.021 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.246 7.905 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.103 7.188 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.374 6.556 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.411 8.642 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.293 9.338 -7.166 1.00 0.00 H new ATOM 438 N GLN A 35 -3.879 8.288 -7.400 1.00 0.00 N ATOM 439 CA GLN A 35 -4.855 8.496 -8.506 1.00 0.00 C ATOM 440 C GLN A 35 -5.756 7.264 -8.626 1.00 0.00 C ATOM 441 O GLN A 35 -6.155 6.876 -9.705 1.00 0.00 O ATOM 442 CB GLN A 35 -4.097 8.702 -9.820 1.00 0.00 C ATOM 443 CG GLN A 35 -4.262 10.149 -10.284 1.00 0.00 C ATOM 444 CD GLN A 35 -5.749 10.507 -10.324 1.00 0.00 C ATOM 445 OE1 GLN A 35 -6.278 11.062 -9.382 1.00 0.00 O ATOM 446 NE2 GLN A 35 -6.451 10.207 -11.382 1.00 0.00 N ATOM 0 H GLN A 35 -3.954 8.946 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.465 9.375 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.041 8.472 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.476 8.020 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.734 10.821 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.820 10.278 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.007 9.741 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.444 10.439 -11.418 1.00 0.00 H new ATOM 455 N CYS A 36 -6.076 6.644 -7.522 1.00 0.00 N ATOM 456 CA CYS A 36 -6.947 5.435 -7.571 1.00 0.00 C ATOM 457 C CYS A 36 -6.193 4.294 -8.255 1.00 0.00 C ATOM 458 O CYS A 36 -6.784 3.361 -8.760 1.00 0.00 O ATOM 459 CB CYS A 36 -8.222 5.749 -8.362 1.00 0.00 C ATOM 460 SG CYS A 36 -8.756 7.443 -8.011 1.00 0.00 S ATOM 0 H CYS A 36 -5.772 6.922 -6.589 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.215 5.141 -6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.038 5.629 -9.430 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.010 5.046 -8.094 1.00 0.00 H new ATOM 465 N LYS A 37 -4.889 4.362 -8.278 1.00 0.00 N ATOM 466 CA LYS A 37 -4.099 3.281 -8.931 1.00 0.00 C ATOM 467 C LYS A 37 -2.974 2.835 -7.995 1.00 0.00 C ATOM 468 O LYS A 37 -2.649 3.504 -7.035 1.00 0.00 O ATOM 469 CB LYS A 37 -3.502 3.807 -10.240 1.00 0.00 C ATOM 470 CG LYS A 37 -4.618 3.999 -11.268 1.00 0.00 C ATOM 471 CD LYS A 37 -4.196 3.385 -12.605 1.00 0.00 C ATOM 472 CE LYS A 37 -3.563 4.465 -13.485 1.00 0.00 C ATOM 473 NZ LYS A 37 -3.056 3.844 -14.743 1.00 0.00 N ATOM 0 H LYS A 37 -4.338 5.119 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.748 2.432 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.988 4.752 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.759 3.106 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.536 3.530 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.831 5.061 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.486 2.575 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.061 2.952 -13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.297 5.237 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.746 4.952 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.625 4.576 -15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.343 3.123 -14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.846 3.399 -15.253 1.00 0.00 H new ATOM 487 N PHE A 38 -2.381 1.704 -8.264 1.00 0.00 N ATOM 488 CA PHE A 38 -1.281 1.213 -7.386 1.00 0.00 C ATOM 489 C PHE A 38 0.028 1.907 -7.764 1.00 0.00 C ATOM 490 O PHE A 38 0.452 1.873 -8.901 1.00 0.00 O ATOM 491 CB PHE A 38 -1.113 -0.297 -7.570 1.00 0.00 C ATOM 492 CG PHE A 38 -2.167 -1.029 -6.775 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.441 -0.645 -5.458 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.866 -2.095 -7.355 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.414 -1.326 -4.720 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.840 -2.777 -6.615 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.114 -2.392 -5.298 1.00 0.00 C ATOM 0 H PHE A 38 -2.610 1.099 -9.053 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.528 1.434 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.196 -0.555 -8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.119 -0.604 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.901 0.177 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.654 -2.391 -8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.626 -1.030 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.379 -3.600 -7.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.866 -2.917 -4.727 1.00 0.00 H new ATOM 507 N SER A 39 0.680 2.525 -6.819 1.00 0.00 N ATOM 508 CA SER A 39 1.967 3.201 -7.134 1.00 0.00 C ATOM 509 C SER A 39 2.972 2.148 -7.610 1.00 0.00 C ATOM 510 O SER A 39 2.622 1.231 -8.327 1.00 0.00 O ATOM 511 CB SER A 39 2.497 3.906 -5.883 1.00 0.00 C ATOM 512 OG SER A 39 1.463 4.701 -5.319 1.00 0.00 O ATOM 0 H SER A 39 0.378 2.591 -5.847 1.00 0.00 H new ATOM 0 HA SER A 39 1.817 3.944 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.844 3.171 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.353 4.530 -6.138 1.00 0.00 H new ATOM 0 HG SER A 39 0.631 4.184 -5.291 1.00 0.00 H new ATOM 518 N ARG A 40 4.212 2.260 -7.222 1.00 0.00 N ATOM 519 CA ARG A 40 5.214 1.251 -7.666 1.00 0.00 C ATOM 520 C ARG A 40 5.930 0.668 -6.446 1.00 0.00 C ATOM 521 O ARG A 40 5.930 1.247 -5.380 1.00 0.00 O ATOM 522 CB ARG A 40 6.238 1.919 -8.586 1.00 0.00 C ATOM 523 CG ARG A 40 6.824 3.148 -7.888 1.00 0.00 C ATOM 524 CD ARG A 40 8.155 3.523 -8.543 1.00 0.00 C ATOM 525 NE ARG A 40 9.027 4.200 -7.542 1.00 0.00 N ATOM 526 CZ ARG A 40 10.098 4.833 -7.934 1.00 0.00 C ATOM 527 NH1 ARG A 40 10.966 4.233 -8.703 1.00 0.00 N ATOM 528 NH2 ARG A 40 10.302 6.067 -7.560 1.00 0.00 N ATOM 0 H ARG A 40 4.573 3.001 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 40 4.707 0.451 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.032 1.216 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.765 2.211 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.127 3.983 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.974 2.940 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.648 2.630 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.981 4.181 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 40 8.787 4.168 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.807 3.269 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.804 4.728 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.624 6.537 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.140 6.561 -7.867 1.00 0.00 H new ATOM 542 N ALA A 41 6.541 -0.475 -6.596 1.00 0.00 N ATOM 543 CA ALA A 41 7.258 -1.094 -5.448 1.00 0.00 C ATOM 544 C ALA A 41 8.580 -0.367 -5.235 1.00 0.00 C ATOM 545 O ALA A 41 9.036 0.373 -6.085 1.00 0.00 O ATOM 546 CB ALA A 41 7.526 -2.570 -5.740 1.00 0.00 C ATOM 0 H ALA A 41 6.574 -1.007 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 41 6.645 -1.015 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.051 -3.018 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.580 -3.088 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.139 -2.658 -6.637 1.00 0.00 H new ATOM 552 N GLY A 42 9.194 -0.553 -4.103 1.00 0.00 N ATOM 553 CA GLY A 42 10.473 0.152 -3.843 1.00 0.00 C ATOM 554 C GLY A 42 10.159 1.635 -3.675 1.00 0.00 C ATOM 555 O GLY A 42 10.994 2.490 -3.888 1.00 0.00 O ATOM 0 H GLY A 42 8.867 -1.160 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.951 -0.242 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.169 -0.001 -4.668 1.00 0.00 H new ATOM 559 N LYS A 43 8.944 1.943 -3.302 1.00 0.00 N ATOM 560 CA LYS A 43 8.558 3.378 -3.130 1.00 0.00 C ATOM 561 C LYS A 43 8.521 3.704 -1.634 1.00 0.00 C ATOM 562 O LYS A 43 7.828 3.071 -0.867 1.00 0.00 O ATOM 563 CB LYS A 43 7.192 3.611 -3.830 1.00 0.00 C ATOM 564 CG LYS A 43 6.183 4.393 -2.959 1.00 0.00 C ATOM 565 CD LYS A 43 6.135 5.852 -3.417 1.00 0.00 C ATOM 566 CE LYS A 43 7.380 6.586 -2.922 1.00 0.00 C ATOM 567 NZ LYS A 43 7.005 7.960 -2.483 1.00 0.00 N ATOM 0 H LYS A 43 8.204 1.267 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 43 9.284 4.048 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.357 4.155 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.760 2.647 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.193 3.943 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.474 4.340 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.080 5.901 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.238 6.336 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.833 6.039 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.125 6.637 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.852 8.460 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.592 8.480 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.309 7.900 -1.713 1.00 0.00 H new ATOM 581 N ILE A 44 9.267 4.687 -1.208 1.00 0.00 N ATOM 582 CA ILE A 44 9.275 5.031 0.240 1.00 0.00 C ATOM 583 C ILE A 44 7.855 5.375 0.689 1.00 0.00 C ATOM 584 O ILE A 44 7.366 6.468 0.481 1.00 0.00 O ATOM 585 CB ILE A 44 10.201 6.224 0.479 1.00 0.00 C ATOM 586 CG1 ILE A 44 10.050 6.719 1.920 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.830 7.344 -0.483 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.846 5.812 2.859 1.00 0.00 C ATOM 0 H ILE A 44 9.868 5.263 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 44 9.637 4.179 0.815 1.00 0.00 H new ATOM 0 HB ILE A 44 11.234 5.920 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.406 7.746 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.998 6.722 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.487 8.198 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.941 6.994 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.796 7.643 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.738 6.165 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.470 4.792 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.899 5.831 2.578 1.00 0.00 H new ATOM 600 N CYS A 45 7.198 4.437 1.308 1.00 0.00 N ATOM 601 CA CYS A 45 5.805 4.676 1.788 1.00 0.00 C ATOM 602 C CYS A 45 5.844 5.143 3.241 1.00 0.00 C ATOM 603 O CYS A 45 4.888 5.689 3.754 1.00 0.00 O ATOM 604 CB CYS A 45 4.986 3.385 1.693 1.00 0.00 C ATOM 605 SG CYS A 45 5.979 1.979 2.252 1.00 0.00 S ATOM 0 H CYS A 45 7.567 3.507 1.505 1.00 0.00 H new ATOM 0 HA CYS A 45 5.340 5.440 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.086 3.470 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.661 3.225 0.665 1.00 0.00 H new ATOM 610 N ARG A 46 6.943 4.934 3.907 1.00 0.00 N ATOM 611 CA ARG A 46 7.044 5.369 5.329 1.00 0.00 C ATOM 612 C ARG A 46 8.508 5.630 5.678 1.00 0.00 C ATOM 613 O ARG A 46 9.406 5.283 4.938 1.00 0.00 O ATOM 614 CB ARG A 46 6.480 4.278 6.242 1.00 0.00 C ATOM 615 CG ARG A 46 5.014 4.584 6.560 1.00 0.00 C ATOM 616 CD ARG A 46 4.167 3.332 6.326 1.00 0.00 C ATOM 617 NE ARG A 46 3.008 3.331 7.266 1.00 0.00 N ATOM 618 CZ ARG A 46 3.209 3.342 8.556 1.00 0.00 C ATOM 619 NH1 ARG A 46 4.409 3.153 9.033 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.208 3.538 9.370 1.00 0.00 N ATOM 0 H ARG A 46 7.776 4.481 3.530 1.00 0.00 H new ATOM 0 HA ARG A 46 6.470 6.285 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.562 3.305 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.059 4.225 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.917 4.913 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.657 5.400 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.813 3.307 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.772 2.438 6.477 1.00 0.00 H new ATOM 0 HE ARG A 46 2.056 3.322 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.192 2.996 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.564 3.162 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.269 3.682 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.364 3.547 10.378 1.00 0.00 H new ATOM 634 N ILE A 47 8.750 6.248 6.797 1.00 0.00 N ATOM 635 CA ILE A 47 10.153 6.544 7.195 1.00 0.00 C ATOM 636 C ILE A 47 10.592 5.569 8.284 1.00 0.00 C ATOM 637 O ILE A 47 9.807 5.155 9.114 1.00 0.00 O ATOM 638 CB ILE A 47 10.258 7.977 7.736 1.00 0.00 C ATOM 639 CG1 ILE A 47 9.029 8.797 7.322 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.512 8.635 7.169 1.00 0.00 C ATOM 641 CD1 ILE A 47 8.933 8.841 5.797 1.00 0.00 C ATOM 0 H ILE A 47 8.036 6.562 7.455 1.00 0.00 H new ATOM 0 HA ILE A 47 10.795 6.439 6.321 1.00 0.00 H new ATOM 0 HB ILE A 47 10.310 7.942 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.125 8.354 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.103 9.809 7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.592 9.653 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.390 8.064 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.451 8.658 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.060 9.424 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.832 9.304 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.839 7.827 5.409 1.00 0.00 H new ATOM 653 N ALA A 48 11.844 5.204 8.294 1.00 0.00 N ATOM 654 CA ALA A 48 12.333 4.265 9.339 1.00 0.00 C ATOM 655 C ALA A 48 12.045 4.870 10.712 1.00 0.00 C ATOM 656 O ALA A 48 11.235 5.767 10.845 1.00 0.00 O ATOM 657 CB ALA A 48 13.838 4.056 9.171 1.00 0.00 C ATOM 0 H ALA A 48 12.548 5.515 7.625 1.00 0.00 H new ATOM 0 HA ALA A 48 11.828 3.303 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.197 3.368 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.039 3.639 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.352 5.012 9.272 1.00 0.00 H new ATOM 663 N ARG A 49 12.697 4.401 11.735 1.00 0.00 N ATOM 664 CA ARG A 49 12.442 4.973 13.086 1.00 0.00 C ATOM 665 C ARG A 49 13.727 4.983 13.918 1.00 0.00 C ATOM 666 O ARG A 49 13.705 5.321 15.084 1.00 0.00 O ATOM 667 CB ARG A 49 11.367 4.156 13.814 1.00 0.00 C ATOM 668 CG ARG A 49 10.076 4.149 12.990 1.00 0.00 C ATOM 669 CD ARG A 49 9.401 5.520 13.086 1.00 0.00 C ATOM 670 NE ARG A 49 7.949 5.389 12.771 1.00 0.00 N ATOM 671 CZ ARG A 49 7.292 6.407 12.283 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.379 6.691 11.012 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.545 7.139 13.064 1.00 0.00 N ATOM 0 H ARG A 49 13.390 3.653 11.698 1.00 0.00 H new ATOM 0 HA ARG A 49 12.093 5.998 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.716 3.135 13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.178 4.582 14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.298 3.913 11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.403 3.374 13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.530 5.930 14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.872 6.217 12.393 1.00 0.00 H new ATOM 0 HE ARG A 49 7.469 4.504 12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.960 6.118 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.866 7.486 10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.474 6.916 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.033 7.934 12.681 1.00 0.00 H new ATOM 687 N GLY A 50 14.855 4.642 13.345 1.00 0.00 N ATOM 688 CA GLY A 50 16.106 4.682 14.157 1.00 0.00 C ATOM 689 C GLY A 50 17.089 3.566 13.783 1.00 0.00 C ATOM 690 O GLY A 50 17.018 2.472 14.293 1.00 0.00 O ATOM 0 H GLY A 50 14.962 4.345 12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.591 5.649 14.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.852 4.598 15.214 1.00 0.00 H new ATOM 694 N ASP A 51 18.044 3.876 12.944 1.00 0.00 N ATOM 695 CA ASP A 51 19.106 2.885 12.567 1.00 0.00 C ATOM 696 C ASP A 51 18.674 1.956 11.431 1.00 0.00 C ATOM 697 O ASP A 51 19.504 1.415 10.727 1.00 0.00 O ATOM 698 CB ASP A 51 19.479 2.043 13.789 1.00 0.00 C ATOM 699 CG ASP A 51 21.002 2.003 13.937 1.00 0.00 C ATOM 700 OD1 ASP A 51 21.630 3.014 13.664 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.514 0.965 14.321 1.00 0.00 O ATOM 0 H ASP A 51 18.137 4.787 12.495 1.00 0.00 H new ATOM 0 HA ASP A 51 19.964 3.457 12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.027 2.465 14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.087 1.032 13.680 1.00 0.00 H new ATOM 706 N TRP A 52 17.411 1.741 11.239 1.00 0.00 N ATOM 707 CA TRP A 52 16.999 0.820 10.139 1.00 0.00 C ATOM 708 C TRP A 52 16.512 1.621 8.929 1.00 0.00 C ATOM 709 O TRP A 52 16.211 2.794 9.025 1.00 0.00 O ATOM 710 CB TRP A 52 15.891 -0.119 10.621 1.00 0.00 C ATOM 711 CG TRP A 52 15.063 0.565 11.655 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.951 1.283 11.399 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.263 0.618 13.094 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.442 1.757 12.589 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.219 1.380 13.665 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.237 0.080 13.954 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.142 1.605 15.039 1.00 0.00 C ATOM 718 CZ3 TRP A 52 16.166 0.308 15.337 1.00 0.00 C ATOM 719 CH2 TRP A 52 15.119 1.068 15.878 1.00 0.00 C ATOM 0 H TRP A 52 16.652 2.152 11.782 1.00 0.00 H new ATOM 0 HA TRP A 52 17.864 0.226 9.844 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.265 -0.419 9.781 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.327 -1.029 11.034 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.528 1.458 10.421 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.594 2.318 12.665 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.044 -0.512 13.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.333 2.190 15.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 16.922 -0.104 15.989 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.069 1.238 16.943 1.00 0.00 H new ATOM 730 N ASN A 53 16.451 0.989 7.788 1.00 0.00 N ATOM 731 CA ASN A 53 16.003 1.695 6.553 1.00 0.00 C ATOM 732 C ASN A 53 14.558 2.171 6.711 1.00 0.00 C ATOM 733 O ASN A 53 13.902 1.892 7.696 1.00 0.00 O ATOM 734 CB ASN A 53 16.093 0.738 5.363 1.00 0.00 C ATOM 735 CG ASN A 53 17.544 0.645 4.889 1.00 0.00 C ATOM 736 OD1 ASN A 53 18.367 1.462 5.249 1.00 0.00 O ATOM 737 ND2 ASN A 53 17.895 -0.326 4.090 1.00 0.00 N ATOM 0 H ASN A 53 16.694 0.007 7.658 1.00 0.00 H new ATOM 0 HA ASN A 53 16.645 2.559 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.729 -0.249 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.456 1.090 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 53 18.860 -0.398 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.204 -1.013 3.787 1.00 0.00 H new ATOM 744 N ASP A 54 14.059 2.889 5.741 1.00 0.00 N ATOM 745 CA ASP A 54 12.657 3.390 5.820 1.00 0.00 C ATOM 746 C ASP A 54 11.690 2.279 5.394 1.00 0.00 C ATOM 747 O ASP A 54 11.868 1.128 5.739 1.00 0.00 O ATOM 748 CB ASP A 54 12.502 4.600 4.894 1.00 0.00 C ATOM 749 CG ASP A 54 13.645 5.585 5.144 1.00 0.00 C ATOM 750 OD1 ASP A 54 13.503 6.417 6.024 1.00 0.00 O ATOM 751 OD2 ASP A 54 14.645 5.491 4.449 1.00 0.00 O ATOM 0 H ASP A 54 14.564 3.151 4.894 1.00 0.00 H new ATOM 0 HA ASP A 54 12.429 3.686 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.507 4.277 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.543 5.087 5.072 1.00 0.00 H new ATOM 756 N ASP A 55 10.663 2.609 4.651 1.00 0.00 N ATOM 757 CA ASP A 55 9.693 1.564 4.215 1.00 0.00 C ATOM 758 C ASP A 55 9.500 1.646 2.699 1.00 0.00 C ATOM 759 O ASP A 55 9.185 2.686 2.162 1.00 0.00 O ATOM 760 CB ASP A 55 8.351 1.798 4.913 1.00 0.00 C ATOM 761 CG ASP A 55 8.504 1.556 6.415 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.977 0.492 6.779 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.147 2.441 7.176 1.00 0.00 O ATOM 0 H ASP A 55 10.457 3.555 4.329 1.00 0.00 H new ATOM 0 HA ASP A 55 10.076 0.578 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.008 2.817 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.595 1.129 4.502 1.00 0.00 H new ATOM 768 N ARG A 56 9.686 0.555 2.006 1.00 0.00 N ATOM 769 CA ARG A 56 9.517 0.568 0.525 1.00 0.00 C ATOM 770 C ARG A 56 8.115 0.096 0.159 1.00 0.00 C ATOM 771 O ARG A 56 7.573 -0.815 0.752 1.00 0.00 O ATOM 772 CB ARG A 56 10.544 -0.370 -0.110 1.00 0.00 C ATOM 773 CG ARG A 56 11.954 0.145 0.179 1.00 0.00 C ATOM 774 CD ARG A 56 12.285 1.297 -0.772 1.00 0.00 C ATOM 775 NE ARG A 56 13.747 1.303 -1.055 1.00 0.00 N ATOM 776 CZ ARG A 56 14.564 1.931 -0.254 1.00 0.00 C ATOM 777 NH1 ARG A 56 14.433 1.805 1.039 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.510 2.683 -0.744 1.00 0.00 N ATOM 0 H ARG A 56 9.948 -0.347 2.403 1.00 0.00 H new ATOM 0 HA ARG A 56 9.664 1.583 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.425 -1.378 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.381 -0.430 -1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.024 0.482 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.678 -0.660 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.725 1.189 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.986 2.246 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 56 14.110 0.816 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.693 1.216 1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.071 2.295 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.612 2.781 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.148 3.173 -0.117 1.00 0.00 H new ATOM 792 N CYS A 57 7.532 0.713 -0.824 1.00 0.00 N ATOM 793 CA CYS A 57 6.170 0.322 -1.258 1.00 0.00 C ATOM 794 C CYS A 57 6.252 -0.999 -2.002 1.00 0.00 C ATOM 795 O CYS A 57 7.250 -1.291 -2.634 1.00 0.00 O ATOM 796 CB CYS A 57 5.628 1.385 -2.203 1.00 0.00 C ATOM 797 SG CYS A 57 4.052 2.008 -1.583 1.00 0.00 S ATOM 0 H CYS A 57 7.947 1.481 -1.351 1.00 0.00 H new ATOM 0 HA CYS A 57 5.516 0.224 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.343 2.203 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.497 0.965 -3.200 1.00 0.00 H new ATOM 802 N THR A 58 5.210 -1.787 -1.936 1.00 0.00 N ATOM 803 CA THR A 58 5.202 -3.099 -2.641 1.00 0.00 C ATOM 804 C THR A 58 4.947 -2.875 -4.134 1.00 0.00 C ATOM 805 O THR A 58 5.340 -3.668 -4.966 1.00 0.00 O ATOM 806 CB THR A 58 4.088 -3.974 -2.062 1.00 0.00 C ATOM 807 OG1 THR A 58 3.395 -3.247 -1.056 1.00 0.00 O ATOM 808 CG2 THR A 58 4.691 -5.241 -1.455 1.00 0.00 C ATOM 0 H THR A 58 4.357 -1.573 -1.418 1.00 0.00 H new ATOM 0 HA THR A 58 6.165 -3.592 -2.507 1.00 0.00 H new ATOM 0 HB THR A 58 3.394 -4.252 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.046 -3.869 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.895 -5.862 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.222 -5.797 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.386 -4.969 -0.661 1.00 0.00 H new ATOM 816 N GLY A 59 4.293 -1.799 -4.478 1.00 0.00 N ATOM 817 CA GLY A 59 4.017 -1.520 -5.916 1.00 0.00 C ATOM 818 C GLY A 59 2.718 -2.210 -6.342 1.00 0.00 C ATOM 819 O GLY A 59 2.107 -1.845 -7.327 1.00 0.00 O ATOM 0 H GLY A 59 3.938 -1.101 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.938 -0.445 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.845 -1.875 -6.530 1.00 0.00 H new ATOM 823 N GLN A 60 2.289 -3.206 -5.615 1.00 0.00 N ATOM 824 CA GLN A 60 1.030 -3.909 -5.993 1.00 0.00 C ATOM 825 C GLN A 60 0.032 -3.849 -4.834 1.00 0.00 C ATOM 826 O GLN A 60 -1.075 -4.338 -4.933 1.00 0.00 O ATOM 827 CB GLN A 60 1.341 -5.371 -6.326 1.00 0.00 C ATOM 828 CG GLN A 60 2.019 -5.447 -7.695 1.00 0.00 C ATOM 829 CD GLN A 60 3.239 -6.367 -7.609 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.552 -6.882 -6.554 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.943 -6.599 -8.682 1.00 0.00 N ATOM 0 H GLN A 60 2.753 -3.562 -4.780 1.00 0.00 H new ATOM 0 HA GLN A 60 0.595 -3.421 -6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.990 -5.799 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.423 -5.958 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.318 -5.824 -8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.323 -4.451 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.680 -6.167 -9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.756 -7.213 -8.636 1.00 0.00 H new ATOM 840 N SER A 61 0.411 -3.253 -3.737 1.00 0.00 N ATOM 841 CA SER A 61 -0.524 -3.166 -2.580 1.00 0.00 C ATOM 842 C SER A 61 -0.860 -1.699 -2.298 1.00 0.00 C ATOM 843 O SER A 61 0.011 -0.853 -2.244 1.00 0.00 O ATOM 844 CB SER A 61 0.136 -3.782 -1.345 1.00 0.00 C ATOM 845 OG SER A 61 -0.569 -4.960 -0.975 1.00 0.00 O ATOM 0 H SER A 61 1.325 -2.824 -3.592 1.00 0.00 H new ATOM 0 HA SER A 61 -1.440 -3.708 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.179 -4.019 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.132 -3.068 -0.522 1.00 0.00 H new ATOM 0 HG SER A 61 -0.148 -5.359 -0.185 1.00 0.00 H new ATOM 851 N ALA A 62 -2.116 -1.391 -2.116 1.00 0.00 N ATOM 852 CA ALA A 62 -2.503 0.021 -1.834 1.00 0.00 C ATOM 853 C ALA A 62 -1.862 0.466 -0.519 1.00 0.00 C ATOM 854 O ALA A 62 -1.324 1.550 -0.413 1.00 0.00 O ATOM 855 CB ALA A 62 -4.024 0.126 -1.716 1.00 0.00 C ATOM 0 H ALA A 62 -2.889 -2.055 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.159 0.660 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.302 1.159 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.484 -0.194 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.371 -0.512 -0.903 1.00 0.00 H new ATOM 861 N ASP A 63 -1.916 -0.365 0.485 1.00 0.00 N ATOM 862 CA ASP A 63 -1.310 0.008 1.793 1.00 0.00 C ATOM 863 C ASP A 63 0.195 -0.260 1.747 1.00 0.00 C ATOM 864 O ASP A 63 0.689 -0.932 0.863 1.00 0.00 O ATOM 865 CB ASP A 63 -1.944 -0.829 2.907 1.00 0.00 C ATOM 866 CG ASP A 63 -1.756 -2.316 2.600 1.00 0.00 C ATOM 867 OD1 ASP A 63 -0.855 -2.635 1.841 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.514 -3.111 3.130 1.00 0.00 O ATOM 0 H ASP A 63 -2.354 -1.286 0.456 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.487 1.065 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.486 -0.584 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.005 -0.596 2.992 1.00 0.00 H new ATOM 873 N CYS A 64 0.928 0.258 2.692 1.00 0.00 N ATOM 874 CA CYS A 64 2.400 0.031 2.698 1.00 0.00 C ATOM 875 C CYS A 64 2.756 -1.004 3.764 1.00 0.00 C ATOM 876 O CYS A 64 2.206 -1.002 4.847 1.00 0.00 O ATOM 877 CB CYS A 64 3.121 1.362 2.967 1.00 0.00 C ATOM 878 SG CYS A 64 4.795 1.057 3.593 1.00 0.00 S ATOM 0 H CYS A 64 0.572 0.828 3.460 1.00 0.00 H new ATOM 0 HA CYS A 64 2.720 -0.349 1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.170 1.949 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.556 1.949 3.691 1.00 0.00 H new ATOM 883 N PRO A 65 3.676 -1.862 3.407 1.00 0.00 N ATOM 884 CA PRO A 65 4.151 -2.930 4.292 1.00 0.00 C ATOM 885 C PRO A 65 5.138 -2.373 5.324 1.00 0.00 C ATOM 886 O PRO A 65 5.288 -1.177 5.473 1.00 0.00 O ATOM 887 CB PRO A 65 4.854 -3.890 3.336 1.00 0.00 C ATOM 888 CG PRO A 65 5.235 -3.080 2.081 1.00 0.00 C ATOM 889 CD PRO A 65 4.331 -1.845 2.077 1.00 0.00 C ATOM 0 HA PRO A 65 3.352 -3.404 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.741 -4.318 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.199 -4.721 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.286 -2.793 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.089 -3.672 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.907 -0.932 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.597 -1.892 1.272 1.00 0.00 H new ATOM 897 N ARG A 66 5.816 -3.235 6.033 1.00 0.00 N ATOM 898 CA ARG A 66 6.796 -2.759 7.051 1.00 0.00 C ATOM 899 C ARG A 66 8.149 -3.431 6.806 1.00 0.00 C ATOM 900 O ARG A 66 8.352 -4.581 7.142 1.00 0.00 O ATOM 901 CB ARG A 66 6.297 -3.118 8.452 1.00 0.00 C ATOM 902 CG ARG A 66 6.950 -2.194 9.480 1.00 0.00 C ATOM 903 CD ARG A 66 6.498 -0.754 9.233 1.00 0.00 C ATOM 904 NE ARG A 66 5.618 -0.311 10.351 1.00 0.00 N ATOM 905 CZ ARG A 66 4.444 -0.856 10.513 1.00 0.00 C ATOM 906 NH1 ARG A 66 3.537 -0.739 9.583 1.00 0.00 N ATOM 907 NH2 ARG A 66 4.178 -1.520 11.604 1.00 0.00 N ATOM 0 H ARG A 66 5.733 -4.248 5.951 1.00 0.00 H new ATOM 0 HA ARG A 66 6.904 -1.677 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.212 -3.022 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.535 -4.157 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.677 -2.504 10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.035 -2.263 9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.365 -0.098 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.962 -0.687 8.286 1.00 0.00 H new ATOM 0 HE ARG A 66 5.934 0.419 10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.746 -0.221 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.619 -1.165 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.888 -1.613 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.260 -1.946 11.731 1.00 0.00 H new ATOM 921 N ASN A 67 9.077 -2.722 6.222 1.00 0.00 N ATOM 922 CA ASN A 67 10.415 -3.321 5.957 1.00 0.00 C ATOM 923 C ASN A 67 11.480 -2.551 6.738 1.00 0.00 C ATOM 924 O ASN A 67 12.575 -3.031 6.953 1.00 0.00 O ATOM 925 CB ASN A 67 10.722 -3.236 4.460 1.00 0.00 C ATOM 926 CG ASN A 67 11.222 -4.593 3.963 1.00 0.00 C ATOM 927 OD1 ASN A 67 12.350 -4.969 4.214 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.423 -5.350 3.262 1.00 0.00 N ATOM 0 H ASN A 67 8.966 -1.755 5.917 1.00 0.00 H new ATOM 0 HA ASN A 67 10.416 -4.365 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.827 -2.943 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.475 -2.470 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.745 -6.257 2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.476 -5.035 3.051 1.00 0.00 H new ATOM 935 N GLY A 68 11.168 -1.358 7.166 1.00 0.00 N ATOM 936 CA GLY A 68 12.163 -0.560 7.931 1.00 0.00 C ATOM 937 C GLY A 68 12.064 -0.909 9.415 1.00 0.00 C ATOM 938 O GLY A 68 13.001 -0.736 10.167 1.00 0.00 O ATOM 0 H GLY A 68 10.267 -0.903 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.169 -0.765 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.981 0.505 7.784 1.00 0.00 H new