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 58 THR OG1 : rot 127:sc= -3.15! USER MOD Set 1.2: A 60 GLN : amide:sc= 0 X(o=-2.9,f=-3.3) USER MOD Set 1.3: A 61 SER OG : rot -168:sc= 0.233 USER MOD Single : A 7 SER OG : rot -18:sc= 0.433! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -5.43! C(o=-5.4!,f=-17!) USER MOD Single : A 18 THR OG1 : rot -148:sc= -1.8! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.81!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -150:sc= -3.95! USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 0.608 (180deg=0.0533) USER MOD Single : A 53 ASN : amide:sc= -0.0365 K(o=-0.036,f=-1.9!) USER MOD Single : A 67 ASN : amide:sc= -0.242 K(o=-0.24,f=1) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -16.322 -5.355 2.367 1.00 0.00 N ATOM 31 CA GLU A 3 -16.569 -4.656 1.074 1.00 0.00 C ATOM 32 C GLU A 3 -16.217 -3.177 1.215 1.00 0.00 C ATOM 33 O GLU A 3 -17.082 -2.326 1.268 1.00 0.00 O ATOM 34 CB GLU A 3 -18.046 -4.793 0.695 1.00 0.00 C ATOM 35 CG GLU A 3 -18.210 -5.927 -0.319 1.00 0.00 C ATOM 36 CD GLU A 3 -19.697 -6.233 -0.504 1.00 0.00 C ATOM 37 OE1 GLU A 3 -20.477 -5.807 0.332 1.00 0.00 O ATOM 38 OE2 GLU A 3 -20.029 -6.889 -1.476 1.00 0.00 O ATOM 0 HA GLU A 3 -15.949 -5.103 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.643 -4.997 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.412 -3.857 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.764 -5.644 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.685 -6.817 0.027 1.00 0.00 H new ATOM 45 N CYS A 4 -14.952 -2.860 1.268 1.00 0.00 N ATOM 46 CA CYS A 4 -14.552 -1.432 1.392 1.00 0.00 C ATOM 47 C CYS A 4 -13.049 -1.292 1.144 1.00 0.00 C ATOM 48 O CYS A 4 -12.248 -2.038 1.674 1.00 0.00 O ATOM 49 CB CYS A 4 -14.890 -0.916 2.793 1.00 0.00 C ATOM 50 SG CYS A 4 -14.327 0.798 2.947 1.00 0.00 S ATOM 0 H CYS A 4 -14.181 -3.527 1.231 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.097 -0.845 0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.965 -0.976 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.410 -1.538 3.548 1.00 0.00 H new ATOM 55 N ASP A 5 -12.662 -0.340 0.340 1.00 0.00 N ATOM 56 CA ASP A 5 -11.213 -0.145 0.052 1.00 0.00 C ATOM 57 C ASP A 5 -10.758 1.203 0.617 1.00 0.00 C ATOM 58 O ASP A 5 -9.579 1.478 0.719 1.00 0.00 O ATOM 59 CB ASP A 5 -10.990 -0.169 -1.463 1.00 0.00 C ATOM 60 CG ASP A 5 -9.579 0.331 -1.780 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.409 1.534 -1.892 1.00 0.00 O ATOM 62 OD2 ASP A 5 -8.693 -0.498 -1.907 1.00 0.00 O ATOM 0 H ASP A 5 -13.288 0.313 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.636 -0.945 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.123 -1.181 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.730 0.459 -1.960 1.00 0.00 H new ATOM 67 N CYS A 6 -11.684 2.045 0.988 1.00 0.00 N ATOM 68 CA CYS A 6 -11.306 3.375 1.549 1.00 0.00 C ATOM 69 C CYS A 6 -12.089 3.620 2.840 1.00 0.00 C ATOM 70 O CYS A 6 -13.264 3.323 2.929 1.00 0.00 O ATOM 71 CB CYS A 6 -11.638 4.471 0.535 1.00 0.00 C ATOM 72 SG CYS A 6 -13.436 4.636 0.390 1.00 0.00 S ATOM 0 H CYS A 6 -12.687 1.870 0.927 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.237 3.391 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.200 5.418 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.205 4.227 -0.435 1.00 0.00 H new ATOM 77 N SER A 7 -11.452 4.160 3.843 1.00 0.00 N ATOM 78 CA SER A 7 -12.169 4.418 5.123 1.00 0.00 C ATOM 79 C SER A 7 -12.927 5.742 5.027 1.00 0.00 C ATOM 80 O SER A 7 -13.735 6.067 5.874 1.00 0.00 O ATOM 81 CB SER A 7 -11.160 4.493 6.269 1.00 0.00 C ATOM 82 OG SER A 7 -11.819 4.942 7.445 1.00 0.00 O ATOM 0 H SER A 7 -10.469 4.433 3.831 1.00 0.00 H new ATOM 0 HA SER A 7 -12.874 3.608 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.713 3.514 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.348 5.173 6.011 1.00 0.00 H new ATOM 0 HG SER A 7 -12.669 5.365 7.202 1.00 0.00 H new ATOM 88 N SER A 8 -12.676 6.509 4.003 1.00 0.00 N ATOM 89 CA SER A 8 -13.388 7.809 3.859 1.00 0.00 C ATOM 90 C SER A 8 -14.534 7.651 2.853 1.00 0.00 C ATOM 91 O SER A 8 -14.333 7.134 1.773 1.00 0.00 O ATOM 92 CB SER A 8 -12.412 8.871 3.356 1.00 0.00 C ATOM 93 OG SER A 8 -12.013 9.697 4.442 1.00 0.00 O ATOM 0 H SER A 8 -12.010 6.293 3.261 1.00 0.00 H new ATOM 0 HA SER A 8 -13.790 8.114 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.540 8.396 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.882 9.474 2.579 1.00 0.00 H new ATOM 0 HG SER A 8 -11.385 10.378 4.122 1.00 0.00 H new ATOM 99 N PRO A 9 -15.704 8.101 3.235 1.00 0.00 N ATOM 100 CA PRO A 9 -16.899 8.019 2.379 1.00 0.00 C ATOM 101 C PRO A 9 -16.879 9.135 1.330 1.00 0.00 C ATOM 102 O PRO A 9 -17.288 8.947 0.202 1.00 0.00 O ATOM 103 CB PRO A 9 -18.057 8.216 3.358 1.00 0.00 C ATOM 104 CG PRO A 9 -17.470 8.956 4.585 1.00 0.00 C ATOM 105 CD PRO A 9 -15.946 8.729 4.550 1.00 0.00 C ATOM 0 HA PRO A 9 -16.968 7.081 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.858 8.797 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.486 7.258 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.704 10.020 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.898 8.571 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.401 9.668 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.621 8.083 5.366 1.00 0.00 H new ATOM 113 N GLU A 10 -16.407 10.295 1.694 1.00 0.00 N ATOM 114 CA GLU A 10 -16.363 11.419 0.718 1.00 0.00 C ATOM 115 C GLU A 10 -15.432 11.052 -0.438 1.00 0.00 C ATOM 116 O GLU A 10 -15.407 11.706 -1.461 1.00 0.00 O ATOM 117 CB GLU A 10 -15.843 12.680 1.411 1.00 0.00 C ATOM 118 CG GLU A 10 -16.132 13.897 0.533 1.00 0.00 C ATOM 119 CD GLU A 10 -17.565 14.373 0.775 1.00 0.00 C ATOM 120 OE1 GLU A 10 -18.404 13.538 1.070 1.00 0.00 O ATOM 121 OE2 GLU A 10 -17.800 15.565 0.661 1.00 0.00 O ATOM 0 H GLU A 10 -16.050 10.513 2.624 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.366 11.605 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.321 12.797 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.771 12.594 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.428 14.698 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.995 13.641 -0.518 1.00 0.00 H new ATOM 128 N ASN A 11 -14.666 10.007 -0.282 1.00 0.00 N ATOM 129 CA ASN A 11 -13.740 9.594 -1.371 1.00 0.00 C ATOM 130 C ASN A 11 -14.557 9.030 -2.540 1.00 0.00 C ATOM 131 O ASN A 11 -15.246 8.042 -2.384 1.00 0.00 O ATOM 132 CB ASN A 11 -12.795 8.512 -0.843 1.00 0.00 C ATOM 133 CG ASN A 11 -11.967 7.946 -1.999 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.990 8.471 -3.094 1.00 0.00 O ATOM 135 ND2 ASN A 11 -11.232 6.886 -1.798 1.00 0.00 N ATOM 0 H ASN A 11 -14.642 9.422 0.553 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.161 10.453 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.137 8.930 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.367 7.715 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.677 6.498 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.213 6.445 -0.878 1.00 0.00 H new ATOM 142 N PRO A 12 -14.467 9.677 -3.675 1.00 0.00 N ATOM 143 CA PRO A 12 -15.202 9.255 -4.881 1.00 0.00 C ATOM 144 C PRO A 12 -14.516 8.055 -5.540 1.00 0.00 C ATOM 145 O PRO A 12 -15.162 7.199 -6.112 1.00 0.00 O ATOM 146 CB PRO A 12 -15.145 10.486 -5.787 1.00 0.00 C ATOM 147 CG PRO A 12 -13.929 11.319 -5.314 1.00 0.00 C ATOM 148 CD PRO A 12 -13.631 10.880 -3.869 1.00 0.00 C ATOM 0 HA PRO A 12 -16.222 8.936 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.034 10.195 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.065 11.066 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.066 11.145 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.149 12.386 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.573 10.656 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.887 11.662 -3.154 1.00 0.00 H new ATOM 156 N CYS A 13 -13.214 7.983 -5.472 1.00 0.00 N ATOM 157 CA CYS A 13 -12.504 6.838 -6.102 1.00 0.00 C ATOM 158 C CYS A 13 -13.073 5.523 -5.576 1.00 0.00 C ATOM 159 O CYS A 13 -12.933 4.484 -6.191 1.00 0.00 O ATOM 160 CB CYS A 13 -11.010 6.910 -5.779 1.00 0.00 C ATOM 161 SG CYS A 13 -10.107 6.020 -7.066 1.00 0.00 S ATOM 0 H CYS A 13 -12.615 8.666 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.643 6.887 -7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.681 7.948 -5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.811 6.469 -4.802 1.00 0.00 H new ATOM 166 N CYS A 14 -13.717 5.556 -4.444 1.00 0.00 N ATOM 167 CA CYS A 14 -14.293 4.303 -3.885 1.00 0.00 C ATOM 168 C CYS A 14 -15.793 4.487 -3.657 1.00 0.00 C ATOM 169 O CYS A 14 -16.213 5.273 -2.831 1.00 0.00 O ATOM 170 CB CYS A 14 -13.610 3.976 -2.556 1.00 0.00 C ATOM 171 SG CYS A 14 -13.714 5.409 -1.456 1.00 0.00 S ATOM 0 H CYS A 14 -13.869 6.394 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.131 3.485 -4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.087 3.113 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.567 3.710 -2.727 1.00 0.00 H new ATOM 176 N ASP A 15 -16.605 3.763 -4.376 1.00 0.00 N ATOM 177 CA ASP A 15 -18.074 3.892 -4.192 1.00 0.00 C ATOM 178 C ASP A 15 -18.393 3.789 -2.703 1.00 0.00 C ATOM 179 O ASP A 15 -17.821 2.982 -1.998 1.00 0.00 O ATOM 180 CB ASP A 15 -18.785 2.759 -4.936 1.00 0.00 C ATOM 181 CG ASP A 15 -20.274 3.088 -5.062 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.961 3.029 -4.056 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.701 3.393 -6.164 1.00 0.00 O ATOM 0 H ASP A 15 -16.313 3.088 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.412 4.851 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.346 2.627 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.653 1.819 -4.400 1.00 0.00 H new ATOM 188 N ALA A 16 -19.298 4.599 -2.222 1.00 0.00 N ATOM 189 CA ALA A 16 -19.653 4.547 -0.777 1.00 0.00 C ATOM 190 C ALA A 16 -20.553 3.338 -0.521 1.00 0.00 C ATOM 191 O ALA A 16 -20.343 2.582 0.406 1.00 0.00 O ATOM 192 CB ALA A 16 -20.394 5.828 -0.386 1.00 0.00 C ATOM 0 H ALA A 16 -19.806 5.294 -2.769 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.745 4.459 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.654 5.790 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.753 6.690 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.304 5.918 -0.980 1.00 0.00 H new ATOM 198 N ALA A 17 -21.552 3.148 -1.338 1.00 0.00 N ATOM 199 CA ALA A 17 -22.460 1.983 -1.140 1.00 0.00 C ATOM 200 C ALA A 17 -21.619 0.713 -0.997 1.00 0.00 C ATOM 201 O ALA A 17 -21.902 -0.145 -0.185 1.00 0.00 O ATOM 202 CB ALA A 17 -23.391 1.850 -2.347 1.00 0.00 C ATOM 0 H ALA A 17 -21.779 3.747 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.058 2.130 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.055 0.998 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.984 2.759 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.798 1.699 -3.249 1.00 0.00 H new ATOM 208 N THR A 18 -20.578 0.596 -1.776 1.00 0.00 N ATOM 209 CA THR A 18 -19.708 -0.609 -1.686 1.00 0.00 C ATOM 210 C THR A 18 -18.411 -0.239 -0.958 1.00 0.00 C ATOM 211 O THR A 18 -17.607 -1.088 -0.628 1.00 0.00 O ATOM 212 CB THR A 18 -19.383 -1.109 -3.096 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.535 -0.172 -3.745 1.00 0.00 O ATOM 214 CG2 THR A 18 -20.678 -1.267 -3.894 1.00 0.00 C ATOM 0 H THR A 18 -20.293 1.285 -2.472 1.00 0.00 H new ATOM 0 HA THR A 18 -20.223 -1.396 -1.136 1.00 0.00 H new ATOM 0 HB THR A 18 -18.878 -2.073 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.720 -0.176 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.446 -1.623 -4.898 1.00 0.00 H new ATOM 0 HG22 THR A 18 -21.327 -1.986 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.185 -0.304 -3.959 1.00 0.00 H new ATOM 222 N CYS A 19 -18.205 1.027 -0.705 1.00 0.00 N ATOM 223 CA CYS A 19 -16.966 1.466 0.002 1.00 0.00 C ATOM 224 C CYS A 19 -15.733 0.959 -0.750 1.00 0.00 C ATOM 225 O CYS A 19 -14.642 0.933 -0.218 1.00 0.00 O ATOM 226 CB CYS A 19 -16.970 0.894 1.424 1.00 0.00 C ATOM 227 SG CYS A 19 -15.946 1.928 2.503 1.00 0.00 S ATOM 0 H CYS A 19 -18.845 1.779 -0.959 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.936 2.555 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.990 0.852 1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.590 -0.128 1.416 1.00 0.00 H new ATOM 232 N LYS A 20 -15.890 0.563 -1.984 1.00 0.00 N ATOM 233 CA LYS A 20 -14.712 0.054 -2.754 1.00 0.00 C ATOM 234 C LYS A 20 -14.525 0.865 -4.037 1.00 0.00 C ATOM 235 O LYS A 20 -15.290 1.755 -4.340 1.00 0.00 O ATOM 236 CB LYS A 20 -14.930 -1.416 -3.126 1.00 0.00 C ATOM 237 CG LYS A 20 -15.255 -2.232 -1.872 1.00 0.00 C ATOM 238 CD LYS A 20 -14.141 -3.250 -1.627 1.00 0.00 C ATOM 239 CE LYS A 20 -14.079 -4.232 -2.798 1.00 0.00 C ATOM 240 NZ LYS A 20 -15.068 -5.327 -2.582 1.00 0.00 N ATOM 0 H LYS A 20 -16.775 0.568 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.824 0.152 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.744 -1.500 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.037 -1.814 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.355 -1.572 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.210 -2.743 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.185 -2.739 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.324 -3.788 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.293 -3.714 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.075 -4.647 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.026 -5.995 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.844 -5.827 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.024 -4.923 -2.519 1.00 0.00 H new ATOM 254 N LEU A 21 -13.509 0.554 -4.798 1.00 0.00 N ATOM 255 CA LEU A 21 -13.265 1.296 -6.067 1.00 0.00 C ATOM 256 C LEU A 21 -14.461 1.113 -7.004 1.00 0.00 C ATOM 257 O LEU A 21 -14.791 0.010 -7.394 1.00 0.00 O ATOM 258 CB LEU A 21 -12.009 0.743 -6.749 1.00 0.00 C ATOM 259 CG LEU A 21 -10.763 1.192 -5.985 1.00 0.00 C ATOM 260 CD1 LEU A 21 -9.955 -0.037 -5.563 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.905 2.078 -6.890 1.00 0.00 C ATOM 0 H LEU A 21 -12.836 -0.185 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.129 2.354 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.053 -0.346 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.960 1.093 -7.780 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.060 1.754 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.066 0.281 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.566 -0.671 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.656 -0.598 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.016 2.399 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.607 1.514 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.480 2.952 -7.194 1.00 0.00 H new ATOM 273 N ARG A 22 -15.110 2.182 -7.373 1.00 0.00 N ATOM 274 CA ARG A 22 -16.280 2.058 -8.290 1.00 0.00 C ATOM 275 C ARG A 22 -15.800 1.917 -9.741 1.00 0.00 C ATOM 276 O ARG A 22 -16.261 1.050 -10.456 1.00 0.00 O ATOM 277 CB ARG A 22 -17.173 3.295 -8.167 1.00 0.00 C ATOM 278 CG ARG A 22 -18.631 2.896 -8.411 1.00 0.00 C ATOM 279 CD ARG A 22 -19.037 3.289 -9.834 1.00 0.00 C ATOM 280 NE ARG A 22 -20.473 2.958 -10.055 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.187 3.665 -10.889 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.521 4.889 -10.589 1.00 0.00 N ATOM 283 NH2 ARG A 22 -21.567 3.145 -12.025 1.00 0.00 N ATOM 0 H ARG A 22 -14.883 3.133 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.850 1.171 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.066 3.737 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.866 4.052 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.754 1.822 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.280 3.389 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.871 4.355 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.416 2.762 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.899 2.178 -9.554 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.225 5.296 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.079 5.440 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.306 2.187 -12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.125 3.696 -12.677 1.00 0.00 H new ATOM 297 N PRO A 23 -14.893 2.778 -10.141 1.00 0.00 N ATOM 298 CA PRO A 23 -14.348 2.765 -11.510 1.00 0.00 C ATOM 299 C PRO A 23 -13.268 1.688 -11.642 1.00 0.00 C ATOM 300 O PRO A 23 -13.169 0.793 -10.825 1.00 0.00 O ATOM 301 CB PRO A 23 -13.741 4.162 -11.665 1.00 0.00 C ATOM 302 CG PRO A 23 -13.459 4.678 -10.233 1.00 0.00 C ATOM 303 CD PRO A 23 -14.328 3.836 -9.279 1.00 0.00 C ATOM 0 HA PRO A 23 -15.098 2.542 -12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.823 4.124 -12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.427 4.827 -12.189 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.402 4.575 -9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.705 5.736 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.735 3.414 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -15.113 4.437 -8.820 1.00 0.00 H new ATOM 311 N GLY A 24 -12.457 1.770 -12.659 1.00 0.00 N ATOM 312 CA GLY A 24 -11.382 0.754 -12.837 1.00 0.00 C ATOM 313 C GLY A 24 -10.115 1.235 -12.126 1.00 0.00 C ATOM 314 O GLY A 24 -9.011 0.919 -12.523 1.00 0.00 O ATOM 0 H GLY A 24 -12.492 2.496 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.700 -0.206 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.182 0.600 -13.897 1.00 0.00 H new ATOM 318 N ALA A 25 -10.267 1.997 -11.079 1.00 0.00 N ATOM 319 CA ALA A 25 -9.075 2.502 -10.343 1.00 0.00 C ATOM 320 C ALA A 25 -8.480 1.370 -9.499 1.00 0.00 C ATOM 321 O ALA A 25 -9.190 0.527 -8.986 1.00 0.00 O ATOM 322 CB ALA A 25 -9.495 3.662 -9.437 1.00 0.00 C ATOM 0 H ALA A 25 -11.167 2.292 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.325 2.852 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.625 4.035 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.916 4.464 -10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.244 3.315 -8.725 1.00 0.00 H new ATOM 328 N GLN A 26 -7.181 1.335 -9.360 1.00 0.00 N ATOM 329 CA GLN A 26 -6.544 0.250 -8.564 1.00 0.00 C ATOM 330 C GLN A 26 -6.788 0.478 -7.073 1.00 0.00 C ATOM 331 O GLN A 26 -7.190 -0.417 -6.357 1.00 0.00 O ATOM 332 CB GLN A 26 -5.040 0.253 -8.831 1.00 0.00 C ATOM 333 CG GLN A 26 -4.784 0.087 -10.330 1.00 0.00 C ATOM 334 CD GLN A 26 -5.004 -1.374 -10.725 1.00 0.00 C ATOM 335 OE1 GLN A 26 -4.943 -2.256 -9.892 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.259 -1.670 -11.970 1.00 0.00 N ATOM 0 H GLN A 26 -6.535 2.012 -9.764 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.976 -0.708 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.600 1.185 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.561 -0.555 -8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.453 0.733 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.766 0.391 -10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.310 -0.930 -12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.407 -2.642 -12.243 1.00 0.00 H new ATOM 345 N CYS A 27 -6.532 1.662 -6.597 1.00 0.00 N ATOM 346 CA CYS A 27 -6.738 1.936 -5.150 1.00 0.00 C ATOM 347 C CYS A 27 -7.393 3.308 -4.979 1.00 0.00 C ATOM 348 O CYS A 27 -6.941 4.296 -5.521 1.00 0.00 O ATOM 349 CB CYS A 27 -5.376 1.902 -4.441 1.00 0.00 C ATOM 350 SG CYS A 27 -5.469 2.757 -2.845 1.00 0.00 S ATOM 0 H CYS A 27 -6.190 2.451 -7.146 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.391 1.181 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.064 0.869 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.620 2.374 -5.069 1.00 0.00 H new ATOM 355 N GLY A 28 -8.454 3.373 -4.222 1.00 0.00 N ATOM 356 CA GLY A 28 -9.133 4.676 -4.007 1.00 0.00 C ATOM 357 C GLY A 28 -8.340 5.489 -2.990 1.00 0.00 C ATOM 358 O GLY A 28 -8.184 6.687 -3.119 1.00 0.00 O ATOM 0 H GLY A 28 -8.878 2.578 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.208 5.221 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.150 4.516 -3.650 1.00 0.00 H new ATOM 362 N GLU A 29 -7.838 4.845 -1.976 1.00 0.00 N ATOM 363 CA GLU A 29 -7.055 5.576 -0.948 1.00 0.00 C ATOM 364 C GLU A 29 -5.966 4.652 -0.387 1.00 0.00 C ATOM 365 O GLU A 29 -6.145 3.454 -0.299 1.00 0.00 O ATOM 366 CB GLU A 29 -8.004 6.019 0.165 1.00 0.00 C ATOM 367 CG GLU A 29 -7.236 6.841 1.195 1.00 0.00 C ATOM 368 CD GLU A 29 -7.035 6.016 2.466 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.467 4.875 2.484 1.00 0.00 O ATOM 370 OE2 GLU A 29 -6.453 6.538 3.402 1.00 0.00 O ATOM 0 H GLU A 29 -7.937 3.843 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.577 6.453 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.819 6.610 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.453 5.148 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.270 7.141 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.783 7.755 1.426 1.00 0.00 H new ATOM 377 N GLY A 30 -4.839 5.195 -0.009 1.00 0.00 N ATOM 378 CA GLY A 30 -3.745 4.337 0.536 1.00 0.00 C ATOM 379 C GLY A 30 -2.418 5.105 0.498 1.00 0.00 C ATOM 380 O GLY A 30 -2.316 6.154 -0.107 1.00 0.00 O ATOM 0 H GLY A 30 -4.629 6.192 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.977 4.042 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.663 3.421 -0.049 1.00 0.00 H new ATOM 384 N LEU A 31 -1.400 4.595 1.146 1.00 0.00 N ATOM 385 CA LEU A 31 -0.087 5.305 1.152 1.00 0.00 C ATOM 386 C LEU A 31 0.498 5.332 -0.258 1.00 0.00 C ATOM 387 O LEU A 31 1.196 6.253 -0.631 1.00 0.00 O ATOM 388 CB LEU A 31 0.892 4.578 2.079 1.00 0.00 C ATOM 389 CG LEU A 31 1.424 5.554 3.127 1.00 0.00 C ATOM 390 CD1 LEU A 31 2.337 6.579 2.451 1.00 0.00 C ATOM 391 CD2 LEU A 31 0.250 6.274 3.792 1.00 0.00 C ATOM 0 H LEU A 31 -1.423 3.720 1.669 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.243 6.325 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.393 3.741 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.718 4.164 1.500 1.00 0.00 H new ATOM 0 HG LEU A 31 1.989 5.007 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.717 7.276 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.172 6.065 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.773 7.128 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.627 6.971 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.315 6.822 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.400 5.543 4.272 1.00 0.00 H new ATOM 403 N CYS A 32 0.236 4.325 -1.043 1.00 0.00 N ATOM 404 CA CYS A 32 0.801 4.303 -2.417 1.00 0.00 C ATOM 405 C CYS A 32 -0.320 4.177 -3.445 1.00 0.00 C ATOM 406 O CYS A 32 -0.377 3.238 -4.214 1.00 0.00 O ATOM 407 CB CYS A 32 1.769 3.130 -2.543 1.00 0.00 C ATOM 408 SG CYS A 32 3.250 3.495 -1.571 1.00 0.00 S ATOM 0 H CYS A 32 -0.341 3.522 -0.793 1.00 0.00 H new ATOM 0 HA CYS A 32 1.336 5.234 -2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.300 2.213 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.033 2.968 -3.588 1.00 0.00 H new ATOM 413 N CYS A 33 -1.202 5.134 -3.472 1.00 0.00 N ATOM 414 CA CYS A 33 -2.316 5.108 -4.455 1.00 0.00 C ATOM 415 C CYS A 33 -2.243 6.394 -5.281 1.00 0.00 C ATOM 416 O CYS A 33 -2.815 7.406 -4.928 1.00 0.00 O ATOM 417 CB CYS A 33 -3.650 5.029 -3.705 1.00 0.00 C ATOM 418 SG CYS A 33 -3.639 3.585 -2.614 1.00 0.00 S ATOM 0 H CYS A 33 -1.198 5.941 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.237 4.242 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.808 5.937 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.475 4.957 -4.414 1.00 0.00 H new ATOM 423 N GLU A 34 -1.523 6.364 -6.371 1.00 0.00 N ATOM 424 CA GLU A 34 -1.384 7.582 -7.213 1.00 0.00 C ATOM 425 C GLU A 34 -2.335 7.487 -8.400 1.00 0.00 C ATOM 426 O GLU A 34 -2.412 6.475 -9.069 1.00 0.00 O ATOM 427 CB GLU A 34 0.055 7.685 -7.722 1.00 0.00 C ATOM 428 CG GLU A 34 0.303 9.088 -8.276 1.00 0.00 C ATOM 429 CD GLU A 34 1.742 9.509 -7.972 1.00 0.00 C ATOM 430 OE1 GLU A 34 2.643 8.769 -8.333 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.919 10.562 -7.384 1.00 0.00 O ATOM 0 H GLU A 34 -1.024 5.543 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.626 8.465 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.754 7.474 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.231 6.940 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.128 9.102 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.396 9.796 -7.830 1.00 0.00 H new ATOM 438 N GLN A 35 -3.069 8.528 -8.662 1.00 0.00 N ATOM 439 CA GLN A 35 -4.019 8.485 -9.798 1.00 0.00 C ATOM 440 C GLN A 35 -5.012 7.355 -9.548 1.00 0.00 C ATOM 441 O GLN A 35 -5.526 6.746 -10.465 1.00 0.00 O ATOM 442 CB GLN A 35 -3.258 8.228 -11.102 1.00 0.00 C ATOM 443 CG GLN A 35 -3.639 9.291 -12.135 1.00 0.00 C ATOM 444 CD GLN A 35 -4.538 8.668 -13.204 1.00 0.00 C ATOM 445 OE1 GLN A 35 -5.743 8.819 -13.164 1.00 0.00 O ATOM 446 NE2 GLN A 35 -4.000 7.970 -14.169 1.00 0.00 N ATOM 0 H GLN A 35 -3.051 9.404 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.545 9.436 -9.884 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.184 8.252 -10.919 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.494 7.234 -11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.156 10.118 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.741 9.703 -12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.989 7.843 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.592 7.553 -14.888 1.00 0.00 H new ATOM 455 N CYS A 36 -5.266 7.059 -8.303 1.00 0.00 N ATOM 456 CA CYS A 36 -6.206 5.955 -7.975 1.00 0.00 C ATOM 457 C CYS A 36 -5.633 4.642 -8.504 1.00 0.00 C ATOM 458 O CYS A 36 -6.312 3.637 -8.572 1.00 0.00 O ATOM 459 CB CYS A 36 -7.560 6.211 -8.628 1.00 0.00 C ATOM 460 SG CYS A 36 -8.574 7.239 -7.544 1.00 0.00 S ATOM 0 H CYS A 36 -4.861 7.537 -7.498 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.336 5.900 -6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.423 6.705 -9.590 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.064 5.265 -8.824 1.00 0.00 H new ATOM 465 N LYS A 37 -4.385 4.646 -8.877 1.00 0.00 N ATOM 466 CA LYS A 37 -3.757 3.408 -9.400 1.00 0.00 C ATOM 467 C LYS A 37 -2.733 2.910 -8.384 1.00 0.00 C ATOM 468 O LYS A 37 -2.453 3.565 -7.399 1.00 0.00 O ATOM 469 CB LYS A 37 -3.058 3.711 -10.727 1.00 0.00 C ATOM 470 CG LYS A 37 -3.929 3.224 -11.885 1.00 0.00 C ATOM 471 CD LYS A 37 -3.744 4.154 -13.084 1.00 0.00 C ATOM 472 CE LYS A 37 -4.090 3.404 -14.371 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.963 3.531 -15.338 1.00 0.00 N ATOM 0 H LYS A 37 -3.771 5.460 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.518 2.645 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.878 4.782 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.085 3.220 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.656 2.204 -12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.976 3.204 -11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.383 5.031 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.715 4.512 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.279 2.353 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.004 3.809 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.198 3.021 -16.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.803 4.536 -15.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.101 3.125 -14.922 1.00 0.00 H new ATOM 487 N PHE A 38 -2.171 1.759 -8.608 1.00 0.00 N ATOM 488 CA PHE A 38 -1.169 1.229 -7.646 1.00 0.00 C ATOM 489 C PHE A 38 0.195 1.856 -7.927 1.00 0.00 C ATOM 490 O PHE A 38 0.743 1.715 -9.003 1.00 0.00 O ATOM 491 CB PHE A 38 -1.070 -0.287 -7.804 1.00 0.00 C ATOM 492 CG PHE A 38 -2.188 -0.948 -7.037 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.520 -0.502 -5.752 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.899 -2.004 -7.617 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.563 -1.113 -5.047 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.941 -2.615 -6.913 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.275 -2.170 -5.628 1.00 0.00 C ATOM 0 H PHE A 38 -2.361 1.163 -9.413 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.478 1.474 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.129 -0.558 -8.858 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.106 -0.639 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.971 0.314 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.643 -2.347 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.819 -0.770 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.489 -3.431 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.081 -2.641 -5.085 1.00 0.00 H new ATOM 507 N SER A 39 0.757 2.536 -6.966 1.00 0.00 N ATOM 508 CA SER A 39 2.091 3.152 -7.192 1.00 0.00 C ATOM 509 C SER A 39 3.086 2.042 -7.531 1.00 0.00 C ATOM 510 O SER A 39 2.733 0.882 -7.588 1.00 0.00 O ATOM 511 CB SER A 39 2.545 3.880 -5.925 1.00 0.00 C ATOM 512 OG SER A 39 1.419 4.490 -5.305 1.00 0.00 O ATOM 0 H SER A 39 0.353 2.690 -6.042 1.00 0.00 H new ATOM 0 HA SER A 39 2.037 3.870 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.017 3.178 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.291 4.635 -6.173 1.00 0.00 H new ATOM 0 HG SER A 39 1.705 5.297 -4.828 1.00 0.00 H new ATOM 518 N ARG A 40 4.322 2.380 -7.762 1.00 0.00 N ATOM 519 CA ARG A 40 5.318 1.326 -8.102 1.00 0.00 C ATOM 520 C ARG A 40 5.946 0.786 -6.817 1.00 0.00 C ATOM 521 O ARG A 40 5.957 1.443 -5.795 1.00 0.00 O ATOM 522 CB ARG A 40 6.409 1.920 -8.995 1.00 0.00 C ATOM 523 CG ARG A 40 5.840 2.186 -10.391 1.00 0.00 C ATOM 524 CD ARG A 40 6.232 3.593 -10.843 1.00 0.00 C ATOM 525 NE ARG A 40 6.229 3.657 -12.332 1.00 0.00 N ATOM 526 CZ ARG A 40 6.857 4.623 -12.945 1.00 0.00 C ATOM 527 NH1 ARG A 40 8.157 4.591 -13.052 1.00 0.00 N ATOM 528 NH2 ARG A 40 6.185 5.620 -13.451 1.00 0.00 N ATOM 0 H ARG A 40 4.685 3.333 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 40 4.820 0.514 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.784 2.847 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.254 1.234 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.220 1.447 -11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.755 2.086 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.534 4.325 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.220 3.847 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 40 5.736 2.946 -12.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.682 3.811 -12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.648 5.346 -13.531 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.169 5.645 -13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.676 6.375 -13.930 1.00 0.00 H new ATOM 542 N ALA A 41 6.472 -0.409 -6.860 1.00 0.00 N ATOM 543 CA ALA A 41 7.099 -0.992 -5.642 1.00 0.00 C ATOM 544 C ALA A 41 8.392 -0.244 -5.341 1.00 0.00 C ATOM 545 O ALA A 41 8.834 0.584 -6.112 1.00 0.00 O ATOM 546 CB ALA A 41 7.406 -2.471 -5.880 1.00 0.00 C ATOM 0 H ALA A 41 6.494 -1.006 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 41 6.416 -0.900 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.865 -2.896 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.481 -3.004 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.091 -2.569 -6.722 1.00 0.00 H new ATOM 552 N GLY A 42 8.995 -0.512 -4.220 1.00 0.00 N ATOM 553 CA GLY A 42 10.246 0.207 -3.877 1.00 0.00 C ATOM 554 C GLY A 42 9.888 1.659 -3.561 1.00 0.00 C ATOM 555 O GLY A 42 10.724 2.540 -3.600 1.00 0.00 O ATOM 0 H GLY A 42 8.677 -1.194 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.731 -0.261 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.951 0.161 -4.707 1.00 0.00 H new ATOM 559 N LYS A 43 8.641 1.917 -3.254 1.00 0.00 N ATOM 560 CA LYS A 43 8.232 3.321 -2.945 1.00 0.00 C ATOM 561 C LYS A 43 8.283 3.549 -1.435 1.00 0.00 C ATOM 562 O LYS A 43 7.736 2.787 -0.666 1.00 0.00 O ATOM 563 CB LYS A 43 6.804 3.576 -3.465 1.00 0.00 C ATOM 564 CG LYS A 43 6.095 4.644 -2.608 1.00 0.00 C ATOM 565 CD LYS A 43 6.733 6.012 -2.865 1.00 0.00 C ATOM 566 CE LYS A 43 5.655 7.097 -2.822 1.00 0.00 C ATOM 567 NZ LYS A 43 5.013 7.106 -1.477 1.00 0.00 N ATOM 0 H LYS A 43 7.895 1.223 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 43 8.917 4.012 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.843 3.903 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.233 2.648 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.033 4.675 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.172 4.388 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.497 6.215 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.229 6.017 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.096 8.071 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.907 6.912 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.676 8.066 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.209 6.447 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.706 6.812 -0.760 1.00 0.00 H new ATOM 581 N ILE A 44 8.908 4.609 -1.010 1.00 0.00 N ATOM 582 CA ILE A 44 8.966 4.892 0.446 1.00 0.00 C ATOM 583 C ILE A 44 7.554 5.221 0.947 1.00 0.00 C ATOM 584 O ILE A 44 6.986 6.245 0.624 1.00 0.00 O ATOM 585 CB ILE A 44 9.931 6.065 0.703 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.279 5.500 1.144 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.395 6.980 1.811 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.089 4.731 2.453 1.00 0.00 C ATOM 0 H ILE A 44 9.379 5.289 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 44 9.336 4.021 0.987 1.00 0.00 H new ATOM 0 HB ILE A 44 10.032 6.646 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.682 4.841 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.999 6.307 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.093 7.801 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.426 7.382 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.284 6.409 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.046 4.323 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.704 5.405 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.381 3.917 2.297 1.00 0.00 H new ATOM 600 N CYS A 45 7.003 4.361 1.752 1.00 0.00 N ATOM 601 CA CYS A 45 5.639 4.610 2.305 1.00 0.00 C ATOM 602 C CYS A 45 5.783 5.128 3.731 1.00 0.00 C ATOM 603 O CYS A 45 4.886 5.731 4.285 1.00 0.00 O ATOM 604 CB CYS A 45 4.838 3.311 2.319 1.00 0.00 C ATOM 605 SG CYS A 45 5.883 1.945 2.877 1.00 0.00 S ATOM 0 H CYS A 45 7.439 3.490 2.055 1.00 0.00 H new ATOM 0 HA CYS A 45 5.118 5.341 1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.976 3.413 2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.453 3.101 1.321 1.00 0.00 H new ATOM 610 N ARG A 46 6.916 4.892 4.326 1.00 0.00 N ATOM 611 CA ARG A 46 7.142 5.365 5.722 1.00 0.00 C ATOM 612 C ARG A 46 8.643 5.391 6.021 1.00 0.00 C ATOM 613 O ARG A 46 9.466 5.297 5.132 1.00 0.00 O ATOM 614 CB ARG A 46 6.447 4.419 6.701 1.00 0.00 C ATOM 615 CG ARG A 46 5.171 5.078 7.229 1.00 0.00 C ATOM 616 CD ARG A 46 4.061 4.031 7.323 1.00 0.00 C ATOM 617 NE ARG A 46 3.419 4.107 8.665 1.00 0.00 N ATOM 618 CZ ARG A 46 3.142 3.011 9.316 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.131 2.273 8.947 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.874 2.654 10.335 1.00 0.00 N ATOM 0 H ARG A 46 7.699 4.391 3.907 1.00 0.00 H new ATOM 0 HA ARG A 46 6.733 6.369 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.205 3.479 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.115 4.180 7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.355 5.518 8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.866 5.889 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.319 4.201 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.472 3.034 7.160 1.00 0.00 H new ATOM 0 HE ARG A 46 3.196 5.014 9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.559 2.553 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.913 1.416 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.663 3.232 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.657 1.797 10.844 1.00 0.00 H new ATOM 634 N ILE A 47 9.002 5.512 7.270 1.00 0.00 N ATOM 635 CA ILE A 47 10.447 5.539 7.633 1.00 0.00 C ATOM 636 C ILE A 47 10.749 4.389 8.596 1.00 0.00 C ATOM 637 O ILE A 47 10.152 4.273 9.648 1.00 0.00 O ATOM 638 CB ILE A 47 10.781 6.870 8.309 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.295 6.971 8.509 1.00 0.00 C ATOM 640 CG2 ILE A 47 10.082 6.943 9.668 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.926 7.655 7.295 1.00 0.00 C ATOM 0 H ILE A 47 8.356 5.593 8.055 1.00 0.00 H new ATOM 0 HA ILE A 47 11.050 5.430 6.732 1.00 0.00 H new ATOM 0 HB ILE A 47 10.439 7.693 7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.516 7.537 9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.722 5.977 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.320 7.892 10.149 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.004 6.868 9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.423 6.121 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.004 7.727 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.717 7.071 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.507 8.655 7.182 1.00 0.00 H new ATOM 653 N ALA A 48 11.670 3.535 8.243 1.00 0.00 N ATOM 654 CA ALA A 48 12.008 2.389 9.135 1.00 0.00 C ATOM 655 C ALA A 48 12.207 2.894 10.565 1.00 0.00 C ATOM 656 O ALA A 48 12.536 4.041 10.790 1.00 0.00 O ATOM 657 CB ALA A 48 13.295 1.724 8.645 1.00 0.00 C ATOM 0 H ALA A 48 12.204 3.581 7.375 1.00 0.00 H new ATOM 0 HA ALA A 48 11.194 1.664 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.543 0.886 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.153 1.362 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.108 2.449 8.662 1.00 0.00 H new ATOM 663 N ARG A 49 12.012 2.042 11.536 1.00 0.00 N ATOM 664 CA ARG A 49 12.193 2.469 12.952 1.00 0.00 C ATOM 665 C ARG A 49 13.683 2.470 13.293 1.00 0.00 C ATOM 666 O ARG A 49 14.170 1.605 13.993 1.00 0.00 O ATOM 667 CB ARG A 49 11.464 1.494 13.876 1.00 0.00 C ATOM 668 CG ARG A 49 10.083 2.053 14.220 1.00 0.00 C ATOM 669 CD ARG A 49 9.522 1.312 15.433 1.00 0.00 C ATOM 670 NE ARG A 49 8.861 2.285 16.345 1.00 0.00 N ATOM 671 CZ ARG A 49 7.564 2.422 16.323 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.813 1.641 17.049 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.018 3.340 15.574 1.00 0.00 N ATOM 0 H ARG A 49 11.735 1.069 11.409 1.00 0.00 H new ATOM 0 HA ARG A 49 11.785 3.471 13.085 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.364 0.523 13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.042 1.338 14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.153 3.120 14.432 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.411 1.941 13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.807 0.555 15.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.323 0.792 15.958 1.00 0.00 H new ATOM 0 HE ARG A 49 9.422 2.845 16.987 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.240 0.923 17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.799 1.748 17.032 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.605 3.950 15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.004 3.447 15.557 1.00 0.00 H new ATOM 687 N GLY A 50 14.411 3.431 12.802 1.00 0.00 N ATOM 688 CA GLY A 50 15.870 3.483 13.093 1.00 0.00 C ATOM 689 C GLY A 50 16.608 4.007 11.863 1.00 0.00 C ATOM 690 O GLY A 50 16.632 5.192 11.596 1.00 0.00 O ATOM 0 H GLY A 50 14.059 4.184 12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.060 4.131 13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.236 2.491 13.357 1.00 0.00 H new ATOM 694 N ASP A 51 17.208 3.130 11.110 1.00 0.00 N ATOM 695 CA ASP A 51 17.944 3.568 9.891 1.00 0.00 C ATOM 696 C ASP A 51 18.447 2.336 9.138 1.00 0.00 C ATOM 697 O ASP A 51 19.630 2.171 8.918 1.00 0.00 O ATOM 698 CB ASP A 51 19.136 4.438 10.298 1.00 0.00 C ATOM 699 CG ASP A 51 19.014 5.812 9.638 1.00 0.00 C ATOM 700 OD1 ASP A 51 19.482 5.954 8.520 1.00 0.00 O ATOM 701 OD2 ASP A 51 18.455 6.700 10.261 1.00 0.00 O ATOM 0 H ASP A 51 17.221 2.125 11.286 1.00 0.00 H new ATOM 0 HA ASP A 51 17.278 4.145 9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.168 4.545 11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.068 3.960 9.997 1.00 0.00 H new ATOM 706 N TRP A 52 17.557 1.465 8.744 1.00 0.00 N ATOM 707 CA TRP A 52 17.989 0.243 8.009 1.00 0.00 C ATOM 708 C TRP A 52 17.143 0.076 6.738 1.00 0.00 C ATOM 709 O TRP A 52 17.317 0.799 5.776 1.00 0.00 O ATOM 710 CB TRP A 52 17.838 -0.982 8.921 1.00 0.00 C ATOM 711 CG TRP A 52 16.691 -0.777 9.863 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.433 -0.432 9.501 1.00 0.00 C ATOM 713 CD2 TRP A 52 16.678 -0.895 11.316 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.651 -0.336 10.637 1.00 0.00 N ATOM 715 CE2 TRP A 52 15.372 -0.612 11.781 1.00 0.00 C ATOM 716 CE3 TRP A 52 17.664 -1.220 12.265 1.00 0.00 C ATOM 717 CZ2 TRP A 52 15.056 -0.649 13.139 1.00 0.00 C ATOM 718 CZ3 TRP A 52 17.348 -1.257 13.634 1.00 0.00 C ATOM 719 CH2 TRP A 52 16.047 -0.972 14.069 1.00 0.00 C ATOM 0 H TRP A 52 16.552 1.547 8.899 1.00 0.00 H new ATOM 0 HA TRP A 52 19.035 0.340 7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 52 17.671 -1.876 8.320 1.00 0.00 H new ATOM 0 HB3 TRP A 52 18.758 -1.143 9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.095 -0.260 8.490 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.661 -0.091 10.630 1.00 0.00 H new ATOM 0 HE3 TRP A 52 18.670 -1.442 11.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.052 -0.429 13.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 18.112 -1.507 14.355 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.811 -1.002 15.122 1.00 0.00 H new ATOM 730 N ASN A 53 16.234 -0.862 6.713 1.00 0.00 N ATOM 731 CA ASN A 53 15.400 -1.052 5.492 1.00 0.00 C ATOM 732 C ASN A 53 14.116 -0.227 5.614 1.00 0.00 C ATOM 733 O ASN A 53 13.165 -0.631 6.253 1.00 0.00 O ATOM 734 CB ASN A 53 15.045 -2.533 5.342 1.00 0.00 C ATOM 735 CG ASN A 53 16.304 -3.324 4.984 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.267 -2.767 4.496 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.337 -4.610 5.206 1.00 0.00 N ATOM 0 H ASN A 53 16.034 -1.502 7.482 1.00 0.00 H new ATOM 0 HA ASN A 53 15.959 -0.722 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 53 14.616 -2.911 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.290 -2.660 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.171 -5.147 4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.528 -5.078 5.616 1.00 0.00 H new ATOM 744 N ASP A 54 14.082 0.925 5.003 1.00 0.00 N ATOM 745 CA ASP A 54 12.862 1.776 5.079 1.00 0.00 C ATOM 746 C ASP A 54 11.658 0.994 4.548 1.00 0.00 C ATOM 747 O ASP A 54 11.801 -0.056 3.953 1.00 0.00 O ATOM 748 CB ASP A 54 13.066 3.033 4.232 1.00 0.00 C ATOM 749 CG ASP A 54 14.478 3.576 4.459 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.656 4.333 5.398 1.00 0.00 O ATOM 751 OD2 ASP A 54 15.358 3.223 3.690 1.00 0.00 O ATOM 0 H ASP A 54 14.848 1.314 4.453 1.00 0.00 H new ATOM 0 HA ASP A 54 12.681 2.060 6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.919 2.802 3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.327 3.788 4.499 1.00 0.00 H new ATOM 756 N ASP A 55 10.473 1.498 4.758 1.00 0.00 N ATOM 757 CA ASP A 55 9.261 0.786 4.264 1.00 0.00 C ATOM 758 C ASP A 55 9.056 1.099 2.781 1.00 0.00 C ATOM 759 O ASP A 55 8.819 2.230 2.402 1.00 0.00 O ATOM 760 CB ASP A 55 8.039 1.251 5.059 1.00 0.00 C ATOM 761 CG ASP A 55 8.432 1.461 6.522 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.932 2.529 6.834 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.225 0.550 7.307 1.00 0.00 O ATOM 0 H ASP A 55 10.292 2.373 5.251 1.00 0.00 H new ATOM 0 HA ASP A 55 9.391 -0.289 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.650 2.179 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.242 0.510 4.988 1.00 0.00 H new ATOM 768 N ARG A 56 9.148 0.109 1.935 1.00 0.00 N ATOM 769 CA ARG A 56 8.961 0.354 0.477 1.00 0.00 C ATOM 770 C ARG A 56 7.675 -0.319 0.003 1.00 0.00 C ATOM 771 O ARG A 56 7.488 -1.507 0.168 1.00 0.00 O ATOM 772 CB ARG A 56 10.148 -0.220 -0.294 1.00 0.00 C ATOM 773 CG ARG A 56 11.452 0.324 0.294 1.00 0.00 C ATOM 774 CD ARG A 56 11.957 1.486 -0.565 1.00 0.00 C ATOM 775 NE ARG A 56 13.180 2.067 0.057 1.00 0.00 N ATOM 776 CZ ARG A 56 13.950 2.867 -0.630 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.671 3.136 -1.877 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.001 3.399 -0.069 1.00 0.00 N ATOM 0 H ARG A 56 9.345 -0.859 2.191 1.00 0.00 H new ATOM 0 HA ARG A 56 8.895 1.427 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.138 -1.309 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.073 0.047 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.289 0.660 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.202 -0.466 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.179 1.137 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.184 2.249 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 56 13.416 1.839 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.850 2.721 -2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.274 3.761 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.220 3.190 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.603 4.024 -0.604 1.00 0.00 H new ATOM 792 N CYS A 57 6.787 0.429 -0.593 1.00 0.00 N ATOM 793 CA CYS A 57 5.520 -0.179 -1.080 1.00 0.00 C ATOM 794 C CYS A 57 5.848 -1.304 -2.051 1.00 0.00 C ATOM 795 O CYS A 57 6.814 -1.228 -2.792 1.00 0.00 O ATOM 796 CB CYS A 57 4.683 0.868 -1.808 1.00 0.00 C ATOM 797 SG CYS A 57 3.659 1.763 -0.622 1.00 0.00 S ATOM 0 H CYS A 57 6.885 1.430 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 57 4.959 -0.564 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.334 1.563 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.053 0.387 -2.557 1.00 0.00 H new ATOM 802 N THR A 58 5.046 -2.335 -2.055 1.00 0.00 N ATOM 803 CA THR A 58 5.284 -3.477 -2.977 1.00 0.00 C ATOM 804 C THR A 58 4.928 -3.059 -4.405 1.00 0.00 C ATOM 805 O THR A 58 5.231 -3.747 -5.358 1.00 0.00 O ATOM 806 CB THR A 58 4.410 -4.660 -2.553 1.00 0.00 C ATOM 807 OG1 THR A 58 3.181 -4.176 -2.034 1.00 0.00 O ATOM 808 CG2 THR A 58 5.134 -5.472 -1.479 1.00 0.00 C ATOM 0 H THR A 58 4.229 -2.433 -1.452 1.00 0.00 H new ATOM 0 HA THR A 58 6.333 -3.769 -2.937 1.00 0.00 H new ATOM 0 HB THR A 58 4.215 -5.296 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.436 -4.607 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.511 -6.314 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.078 -5.843 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.330 -4.838 -0.614 1.00 0.00 H new ATOM 816 N GLY A 59 4.291 -1.928 -4.559 1.00 0.00 N ATOM 817 CA GLY A 59 3.924 -1.461 -5.925 1.00 0.00 C ATOM 818 C GLY A 59 2.434 -1.696 -6.176 1.00 0.00 C ATOM 819 O GLY A 59 1.662 -0.766 -6.304 1.00 0.00 O ATOM 0 H GLY A 59 4.010 -1.309 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.156 -0.401 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.515 -1.992 -6.671 1.00 0.00 H new ATOM 823 N GLN A 60 2.022 -2.929 -6.260 1.00 0.00 N ATOM 824 CA GLN A 60 0.583 -3.215 -6.514 1.00 0.00 C ATOM 825 C GLN A 60 -0.196 -3.179 -5.197 1.00 0.00 C ATOM 826 O GLN A 60 -1.405 -3.301 -5.181 1.00 0.00 O ATOM 827 CB GLN A 60 0.446 -4.597 -7.154 1.00 0.00 C ATOM 828 CG GLN A 60 1.209 -5.624 -6.317 1.00 0.00 C ATOM 829 CD GLN A 60 0.242 -6.697 -5.815 1.00 0.00 C ATOM 830 OE1 GLN A 60 -0.533 -6.458 -4.910 1.00 0.00 O ATOM 831 NE2 GLN A 60 0.253 -7.878 -6.369 1.00 0.00 N ATOM 0 H GLN A 60 2.619 -3.751 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 60 0.179 -2.459 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.606 -4.876 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.837 -4.579 -8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.997 -6.082 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.693 -5.133 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.903 -8.079 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.389 -8.600 -6.043 1.00 0.00 H new ATOM 840 N SER A 61 0.479 -3.016 -4.090 1.00 0.00 N ATOM 841 CA SER A 61 -0.243 -2.978 -2.786 1.00 0.00 C ATOM 842 C SER A 61 -0.468 -1.525 -2.357 1.00 0.00 C ATOM 843 O SER A 61 0.454 -0.831 -1.977 1.00 0.00 O ATOM 844 CB SER A 61 0.585 -3.700 -1.723 1.00 0.00 C ATOM 845 OG SER A 61 0.995 -4.964 -2.227 1.00 0.00 O ATOM 0 H SER A 61 1.492 -2.908 -4.033 1.00 0.00 H new ATOM 0 HA SER A 61 -1.208 -3.473 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.456 -3.102 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.003 -3.831 -0.814 1.00 0.00 H new ATOM 0 HG SER A 61 1.358 -5.506 -1.496 1.00 0.00 H new ATOM 851 N ALA A 62 -1.689 -1.059 -2.407 1.00 0.00 N ATOM 852 CA ALA A 62 -1.966 0.347 -1.991 1.00 0.00 C ATOM 853 C ALA A 62 -1.564 0.519 -0.528 1.00 0.00 C ATOM 854 O ALA A 62 -0.945 1.495 -0.154 1.00 0.00 O ATOM 855 CB ALA A 62 -3.456 0.652 -2.147 1.00 0.00 C ATOM 0 H ALA A 62 -2.503 -1.590 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.395 1.032 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.651 1.680 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.747 0.522 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.034 -0.028 -1.521 1.00 0.00 H new ATOM 861 N ASP A 63 -1.901 -0.431 0.302 1.00 0.00 N ATOM 862 CA ASP A 63 -1.525 -0.325 1.736 1.00 0.00 C ATOM 863 C ASP A 63 -0.058 -0.728 1.879 1.00 0.00 C ATOM 864 O ASP A 63 0.305 -1.872 1.690 1.00 0.00 O ATOM 865 CB ASP A 63 -2.404 -1.258 2.571 1.00 0.00 C ATOM 866 CG ASP A 63 -3.082 -0.454 3.681 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.051 0.226 3.387 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.620 -0.529 4.807 1.00 0.00 O ATOM 0 H ASP A 63 -2.419 -1.272 0.048 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.668 0.697 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.155 -1.732 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.800 -2.057 3.002 1.00 0.00 H new ATOM 873 N CYS A 64 0.791 0.210 2.192 1.00 0.00 N ATOM 874 CA CYS A 64 2.238 -0.111 2.322 1.00 0.00 C ATOM 875 C CYS A 64 2.420 -1.345 3.207 1.00 0.00 C ATOM 876 O CYS A 64 1.942 -1.390 4.324 1.00 0.00 O ATOM 877 CB CYS A 64 2.972 1.098 2.920 1.00 0.00 C ATOM 878 SG CYS A 64 4.579 0.583 3.589 1.00 0.00 S ATOM 0 H CYS A 64 0.545 1.185 2.363 1.00 0.00 H new ATOM 0 HA CYS A 64 2.657 -0.330 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.115 1.861 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.368 1.547 3.709 1.00 0.00 H new ATOM 883 N PRO A 65 3.120 -2.313 2.665 1.00 0.00 N ATOM 884 CA PRO A 65 3.405 -3.574 3.357 1.00 0.00 C ATOM 885 C PRO A 65 4.565 -3.391 4.341 1.00 0.00 C ATOM 886 O PRO A 65 5.346 -2.467 4.228 1.00 0.00 O ATOM 887 CB PRO A 65 3.803 -4.516 2.219 1.00 0.00 C ATOM 888 CG PRO A 65 4.264 -3.633 1.043 1.00 0.00 C ATOM 889 CD PRO A 65 3.690 -2.236 1.301 1.00 0.00 C ATOM 0 HA PRO A 65 2.564 -3.946 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.603 -5.186 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.961 -5.142 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.352 -3.601 0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.905 -4.031 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.464 -1.471 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.927 -1.979 0.566 1.00 0.00 H new ATOM 897 N ARG A 66 4.686 -4.265 5.303 1.00 0.00 N ATOM 898 CA ARG A 66 5.798 -4.138 6.286 1.00 0.00 C ATOM 899 C ARG A 66 7.104 -4.610 5.642 1.00 0.00 C ATOM 900 O ARG A 66 7.299 -5.785 5.400 1.00 0.00 O ATOM 901 CB ARG A 66 5.496 -4.997 7.513 1.00 0.00 C ATOM 902 CG ARG A 66 6.737 -5.069 8.402 1.00 0.00 C ATOM 903 CD ARG A 66 7.573 -6.291 8.016 1.00 0.00 C ATOM 904 NE ARG A 66 8.192 -6.875 9.238 1.00 0.00 N ATOM 905 CZ ARG A 66 8.276 -8.171 9.371 1.00 0.00 C ATOM 906 NH1 ARG A 66 7.238 -8.854 9.769 1.00 0.00 N ATOM 907 NH2 ARG A 66 9.398 -8.783 9.107 1.00 0.00 N ATOM 0 H ARG A 66 4.064 -5.060 5.450 1.00 0.00 H new ATOM 0 HA ARG A 66 5.897 -3.096 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.660 -4.573 8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.198 -5.999 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.329 -4.161 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.443 -5.133 9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.945 -7.033 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.347 -6.005 7.304 1.00 0.00 H new ATOM 0 HE ARG A 66 8.550 -6.263 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.361 -8.375 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.303 -9.867 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.210 -8.249 8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.463 -9.796 9.211 1.00 0.00 H new ATOM 921 N ASN A 67 8.001 -3.702 5.359 1.00 0.00 N ATOM 922 CA ASN A 67 9.291 -4.100 4.727 1.00 0.00 C ATOM 923 C ASN A 67 10.387 -4.172 5.793 1.00 0.00 C ATOM 924 O ASN A 67 11.547 -4.365 5.489 1.00 0.00 O ATOM 925 CB ASN A 67 9.679 -3.064 3.669 1.00 0.00 C ATOM 926 CG ASN A 67 10.530 -3.734 2.591 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.636 -4.165 2.852 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.059 -3.843 1.378 1.00 0.00 N ATOM 0 H ASN A 67 7.895 -2.703 5.538 1.00 0.00 H new ATOM 0 HA ASN A 67 9.177 -5.078 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.784 -2.630 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.234 -2.247 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.619 -4.289 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.131 -3.482 1.157 1.00 0.00 H new ATOM 935 N GLY A 68 10.031 -4.018 7.038 1.00 0.00 N ATOM 936 CA GLY A 68 11.056 -4.077 8.119 1.00 0.00 C ATOM 937 C GLY A 68 11.635 -5.492 8.200 1.00 0.00 C ATOM 938 O GLY A 68 11.023 -6.449 7.767 1.00 0.00 O ATOM 0 H GLY A 68 9.075 -3.854 7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.851 -3.359 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.609 -3.801 9.074 1.00 0.00 H new