USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 51 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.407) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.08e-05) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0102) USER MOD Single : p 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000993) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA p 3 -5.845 21.013 5.135 1.00 0.00 N ATOM 38 CA ALA p 3 -5.731 19.938 6.124 1.00 0.00 C ATOM 39 C ALA p 3 -6.378 18.674 5.582 1.00 0.00 C ATOM 40 O ALA p 3 -6.177 17.580 6.101 1.00 0.00 O ATOM 41 CB ALA p 3 -6.383 20.353 7.435 1.00 0.00 C ATOM 0 HA ALA p 3 -4.677 19.740 6.317 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -6.290 19.544 8.160 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -5.889 21.244 7.821 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.438 20.568 7.265 1.00 0.00 H new ATOM 47 N LEU p 4 -7.179 18.887 4.533 1.00 0.00 N ATOM 48 CA LEU p 4 -7.905 17.862 3.816 1.00 0.00 C ATOM 49 C LEU p 4 -7.017 17.423 2.671 1.00 0.00 C ATOM 50 O LEU p 4 -6.823 16.235 2.417 1.00 0.00 O ATOM 51 CB LEU p 4 -9.208 18.479 3.295 1.00 0.00 C ATOM 52 CG LEU p 4 -10.325 17.528 2.868 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.573 18.345 2.656 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.968 16.783 1.589 1.00 0.00 C ATOM 0 H LEU p 4 -7.338 19.820 4.154 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.154 17.005 4.442 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.603 19.133 4.072 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.962 19.111 2.442 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.477 16.779 3.645 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.389 17.690 2.350 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -11.841 18.848 3.585 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.394 19.089 1.879 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.786 16.116 1.316 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.801 17.500 0.785 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.062 16.199 1.749 1.00 0.00 H new ATOM 66 N GLU p 5 -6.499 18.448 1.991 1.00 0.00 N ATOM 67 CA GLU p 5 -5.548 18.301 0.882 1.00 0.00 C ATOM 68 C GLU p 5 -4.232 17.778 1.422 1.00 0.00 C ATOM 69 O GLU p 5 -3.460 17.156 0.702 1.00 0.00 O ATOM 70 CB GLU p 5 -5.299 19.637 0.180 1.00 0.00 C ATOM 71 CG GLU p 5 -6.554 20.462 -0.010 1.00 0.00 C ATOM 72 CD GLU p 5 -6.753 20.921 -1.441 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.254 22.012 -1.790 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.408 20.190 -2.213 1.00 0.00 O ATOM 0 H GLU p 5 -6.731 19.420 2.197 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.973 17.605 0.159 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.578 20.214 0.759 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.847 19.448 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.418 19.875 0.300 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.511 21.334 0.642 1.00 0.00 H new ATOM 81 N LYS p 6 -4.009 18.080 2.705 1.00 0.00 N ATOM 82 CA LYS p 6 -2.813 17.630 3.448 1.00 0.00 C ATOM 83 C LYS p 6 -3.065 16.277 4.096 1.00 0.00 C ATOM 84 O LYS p 6 -2.134 15.607 4.524 1.00 0.00 O ATOM 85 CB LYS p 6 -2.399 18.625 4.522 1.00 0.00 C ATOM 86 CG LYS p 6 -1.159 19.430 4.162 1.00 0.00 C ATOM 87 CD LYS p 6 -0.784 20.397 5.272 1.00 0.00 C ATOM 88 CE LYS p 6 0.471 21.182 4.927 1.00 0.00 C ATOM 89 NZ LYS p 6 0.848 22.131 6.011 1.00 0.00 N ATOM 0 H LYS p 6 -4.649 18.644 3.264 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.003 17.551 2.723 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.226 19.311 4.708 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -2.215 18.087 5.452 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.327 18.753 3.971 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.338 19.984 3.240 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.609 21.087 5.449 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.626 19.845 6.199 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.294 20.490 4.748 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.311 21.734 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.709 22.647 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.073 22.807 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.026 21.602 6.889 1.00 0.00 H new ATOM 103 N GLU p 7 -4.349 15.926 4.184 1.00 0.00 N ATOM 104 CA GLU p 7 -4.825 14.648 4.714 1.00 0.00 C ATOM 105 C GLU p 7 -4.856 13.671 3.545 1.00 0.00 C ATOM 106 O GLU p 7 -4.811 12.456 3.705 1.00 0.00 O ATOM 107 CB GLU p 7 -6.218 14.854 5.322 1.00 0.00 C ATOM 108 CG GLU p 7 -7.151 13.659 5.242 1.00 0.00 C ATOM 109 CD GLU p 7 -7.570 13.142 6.604 1.00 0.00 C ATOM 110 OE1 GLU p 7 -6.860 12.275 7.154 1.00 0.00 O ATOM 111 OE2 GLU p 7 -8.609 13.605 7.121 1.00 0.00 O ATOM 0 H GLU p 7 -5.106 16.539 3.881 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.179 14.255 5.499 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.100 15.131 6.370 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.693 15.697 4.821 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -8.040 13.937 4.676 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.659 12.857 4.691 1.00 0.00 H new ATOM 118 N LEU p 8 -4.947 14.299 2.379 1.00 0.00 N ATOM 119 CA LEU p 8 -4.956 13.688 1.078 1.00 0.00 C ATOM 120 C LEU p 8 -3.518 13.634 0.596 1.00 0.00 C ATOM 121 O LEU p 8 -3.141 12.766 -0.180 1.00 0.00 O ATOM 122 CB LEU p 8 -5.833 14.542 0.142 1.00 0.00 C ATOM 123 CG LEU p 8 -5.446 14.567 -1.338 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.703 13.214 -1.951 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.202 15.659 -2.068 1.00 0.00 C ATOM 0 H LEU p 8 -5.021 15.315 2.326 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.367 12.679 1.099 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.859 14.183 0.218 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.825 15.567 0.512 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.383 14.790 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.427 13.234 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.108 12.461 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.761 12.967 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.913 15.661 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.274 15.477 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.964 16.626 -1.624 1.00 0.00 H new ATOM 137 N ALA p 9 -2.767 14.640 1.052 1.00 0.00 N ATOM 138 CA ALA p 9 -1.327 14.768 0.797 1.00 0.00 C ATOM 139 C ALA p 9 -0.600 13.894 1.804 1.00 0.00 C ATOM 140 O ALA p 9 0.553 13.506 1.610 1.00 0.00 O ATOM 141 CB ALA p 9 -0.834 16.204 0.893 1.00 0.00 C ATOM 0 H ALA p 9 -3.146 15.400 1.617 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.125 14.449 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.237 16.235 0.695 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.357 16.818 0.159 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.029 16.590 1.894 1.00 0.00 H new ATOM 147 N GLN p 10 -1.331 13.608 2.894 1.00 0.00 N ATOM 148 CA GLN p 10 -0.885 12.729 3.955 1.00 0.00 C ATOM 149 C GLN p 10 -1.341 11.337 3.574 1.00 0.00 C ATOM 150 O GLN p 10 -0.710 10.358 3.918 1.00 0.00 O ATOM 151 CB GLN p 10 -1.470 13.178 5.302 1.00 0.00 C ATOM 152 CG GLN p 10 -1.811 12.065 6.282 1.00 0.00 C ATOM 153 CD GLN p 10 -0.928 12.074 7.514 1.00 0.00 C ATOM 154 OE1 GLN p 10 0.129 11.444 7.540 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.360 12.791 8.545 1.00 0.00 N ATOM 0 H GLN p 10 -2.262 13.994 3.053 1.00 0.00 H new ATOM 0 HA GLN p 10 0.198 12.751 4.072 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.758 13.851 5.780 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.374 13.756 5.109 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.853 12.163 6.587 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.715 11.103 5.779 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -2.243 13.298 8.480 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -0.809 12.835 9.402 1.00 0.00 H new ATOM 164 N ASN p 11 -2.458 11.320 2.833 1.00 0.00 N ATOM 165 CA ASN p 11 -3.066 10.105 2.278 1.00 0.00 C ATOM 166 C ASN p 11 -2.299 9.768 1.021 1.00 0.00 C ATOM 167 O ASN p 11 -2.332 8.642 0.529 1.00 0.00 O ATOM 168 CB ASN p 11 -4.549 10.294 1.945 1.00 0.00 C ATOM 169 CG ASN p 11 -5.356 9.008 2.052 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.096 8.158 2.907 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.344 8.860 1.178 1.00 0.00 N ATOM 0 H ASN p 11 -2.974 12.168 2.599 1.00 0.00 H new ATOM 0 HA ASN p 11 -3.015 9.305 3.016 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.974 11.039 2.618 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.640 10.689 0.933 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.921 8.019 1.198 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.526 9.587 0.486 1.00 0.00 H new ATOM 178 N GLU p 12 -1.622 10.812 0.519 1.00 0.00 N ATOM 179 CA GLU p 12 -0.749 10.757 -0.601 1.00 0.00 C ATOM 180 C GLU p 12 0.570 10.270 -0.061 1.00 0.00 C ATOM 181 O GLU p 12 1.304 9.555 -0.710 1.00 0.00 O ATOM 182 CB GLU p 12 -0.605 12.159 -1.127 1.00 0.00 C ATOM 183 CG GLU p 12 0.255 12.268 -2.337 1.00 0.00 C ATOM 184 CD GLU p 12 -0.490 12.750 -3.567 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.563 13.980 -3.773 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.000 11.898 -4.324 1.00 0.00 O ATOM 0 H GLU p 12 -1.690 11.747 0.921 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.107 10.108 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.595 12.551 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.190 12.790 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.077 12.953 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.697 11.294 -2.548 1.00 0.00 H new ATOM 193 N TRP p 13 0.810 10.738 1.161 1.00 0.00 N ATOM 194 CA TRP p 13 1.980 10.392 1.973 1.00 0.00 C ATOM 195 C TRP p 13 1.759 9.023 2.604 1.00 0.00 C ATOM 196 O TRP p 13 2.704 8.399 3.063 1.00 0.00 O ATOM 197 CB TRP p 13 2.242 11.440 3.058 1.00 0.00 C ATOM 198 CG TRP p 13 3.680 11.505 3.496 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.669 12.260 2.936 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.288 10.785 4.581 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.854 12.057 3.602 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.647 11.157 4.615 1.00 0.00 C ATOM 203 CE3 TRP p 13 3.821 9.864 5.528 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.538 10.643 5.555 1.00 0.00 C ATOM 205 CZ3 TRP p 13 4.708 9.356 6.459 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.052 9.747 6.466 1.00 0.00 C ATOM 0 H TRP p 13 0.179 11.388 1.630 1.00 0.00 H new ATOM 0 HA TRP p 13 2.857 10.367 1.327 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.939 12.419 2.687 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.617 11.220 3.923 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.539 12.921 2.092 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.743 12.504 3.379 1.00 0.00 H new ATOM 0 HE3 TRP p 13 2.786 9.556 5.531 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.576 10.942 5.564 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 4.358 8.646 7.193 1.00 0.00 H new ATOM 0 HH2 TRP p 13 6.719 9.332 7.207 1.00 0.00 H new ATOM 217 N GLU p 14 0.477 8.614 2.657 1.00 0.00 N ATOM 218 CA GLU p 14 0.078 7.269 3.134 1.00 0.00 C ATOM 219 C GLU p 14 0.046 6.403 1.917 1.00 0.00 C ATOM 220 O GLU p 14 0.025 5.177 1.981 1.00 0.00 O ATOM 221 CB GLU p 14 -1.291 7.233 3.802 1.00 0.00 C ATOM 222 CG GLU p 14 -1.401 8.216 4.926 1.00 0.00 C ATOM 223 CD GLU p 14 -2.069 7.648 6.164 1.00 0.00 C ATOM 224 OE1 GLU p 14 -3.311 7.737 6.262 1.00 0.00 O ATOM 225 OE2 GLU p 14 -1.350 7.114 7.034 1.00 0.00 O ATOM 0 H GLU p 14 -0.309 9.199 2.373 1.00 0.00 H new ATOM 0 HA GLU p 14 0.786 6.938 3.894 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -2.061 7.445 3.060 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.482 6.229 4.181 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.403 8.567 5.190 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.965 9.084 4.585 1.00 0.00 H new ATOM 232 N LEU p 15 -0.016 7.133 0.808 1.00 0.00 N ATOM 233 CA LEU p 15 0.031 6.588 -0.539 1.00 0.00 C ATOM 234 C LEU p 15 1.506 6.426 -0.897 1.00 0.00 C ATOM 235 O LEU p 15 1.890 5.501 -1.588 1.00 0.00 O ATOM 236 CB LEU p 15 -0.689 7.520 -1.542 1.00 0.00 C ATOM 237 CG LEU p 15 -0.761 7.091 -3.027 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.419 7.660 -3.797 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.805 5.580 -3.170 1.00 0.00 C ATOM 0 H LEU p 15 -0.103 8.149 0.825 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.485 5.629 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.710 7.662 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.199 8.493 -1.501 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.685 7.491 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.356 7.351 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.400 8.748 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.348 7.290 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.855 5.316 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.093 5.147 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.685 5.191 -2.657 1.00 0.00 H new ATOM 251 N GLN p 16 2.291 7.368 -0.366 1.00 0.00 N ATOM 252 CA GLN p 16 3.760 7.420 -0.502 1.00 0.00 C ATOM 253 C GLN p 16 4.322 6.516 0.542 1.00 0.00 C ATOM 254 O GLN p 16 5.427 6.022 0.429 1.00 0.00 O ATOM 255 CB GLN p 16 4.316 8.822 -0.270 1.00 0.00 C ATOM 256 CG GLN p 16 3.743 9.839 -1.212 1.00 0.00 C ATOM 257 CD GLN p 16 4.798 10.653 -1.935 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.221 11.706 -1.456 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.230 10.170 -3.093 1.00 0.00 N ATOM 0 H GLN p 16 1.917 8.139 0.187 1.00 0.00 H new ATOM 0 HA GLN p 16 4.032 7.123 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.107 9.125 0.756 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.400 8.801 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.120 9.331 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.093 10.514 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.852 9.294 -3.453 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.940 10.675 -3.623 1.00 0.00 H new ATOM 268 N ALA p 17 3.514 6.397 1.588 1.00 0.00 N ATOM 269 CA ALA p 17 3.775 5.495 2.720 1.00 0.00 C ATOM 270 C ALA p 17 3.243 4.129 2.344 1.00 0.00 C ATOM 271 O ALA p 17 3.561 3.134 2.977 1.00 0.00 O ATOM 272 CB ALA p 17 3.150 5.965 4.026 1.00 0.00 C ATOM 0 H ALA p 17 2.647 6.927 1.682 1.00 0.00 H new ATOM 0 HA ALA p 17 4.849 5.473 2.903 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.382 5.253 4.818 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.551 6.944 4.289 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.069 6.035 3.907 1.00 0.00 H new ATOM 278 N LEU p 18 2.378 4.144 1.313 1.00 0.00 N ATOM 279 CA LEU p 18 1.810 2.942 0.699 1.00 0.00 C ATOM 280 C LEU p 18 2.820 2.465 -0.320 1.00 0.00 C ATOM 281 O LEU p 18 3.015 1.274 -0.518 1.00 0.00 O ATOM 282 CB LEU p 18 0.499 3.292 0.000 1.00 0.00 C ATOM 283 CG LEU p 18 -0.315 2.162 -0.639 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.694 2.696 -0.876 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.284 1.696 -1.965 1.00 0.00 C ATOM 0 H LEU p 18 2.053 5.008 0.880 1.00 0.00 H new ATOM 0 HA LEU p 18 1.604 2.174 1.444 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.141 3.791 0.728 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.723 4.020 -0.779 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.318 1.299 0.027 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.311 1.921 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -2.135 2.999 0.074 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.641 3.557 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.328 0.895 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.311 2.531 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU p 18 1.297 1.330 -1.798 1.00 0.00 H new ATOM 297 N GLU p 19 3.390 3.466 -0.997 1.00 0.00 N ATOM 298 CA GLU p 19 4.459 3.272 -2.000 1.00 0.00 C ATOM 299 C GLU p 19 5.741 3.001 -1.264 1.00 0.00 C ATOM 300 O GLU p 19 6.624 2.326 -1.764 1.00 0.00 O ATOM 301 CB GLU p 19 4.678 4.489 -2.902 1.00 0.00 C ATOM 302 CG GLU p 19 3.418 5.001 -3.543 1.00 0.00 C ATOM 303 CD GLU p 19 3.485 5.031 -5.057 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.917 6.063 -5.613 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.105 4.022 -5.689 1.00 0.00 O ATOM 0 H GLU p 19 3.126 4.443 -0.869 1.00 0.00 H new ATOM 0 HA GLU p 19 4.156 2.445 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.127 5.290 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.392 4.228 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.581 4.374 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.214 6.007 -3.175 1.00 0.00 H new ATOM 312 N LYS p 20 5.813 3.618 -0.086 1.00 0.00 N ATOM 313 CA LYS p 20 6.933 3.450 0.854 1.00 0.00 C ATOM 314 C LYS p 20 6.725 2.178 1.658 1.00 0.00 C ATOM 315 O LYS p 20 7.658 1.648 2.256 1.00 0.00 O ATOM 316 CB LYS p 20 7.057 4.640 1.796 1.00 0.00 C ATOM 317 CG LYS p 20 8.402 5.343 1.743 1.00 0.00 C ATOM 318 CD LYS p 20 9.202 5.114 3.016 1.00 0.00 C ATOM 319 CE LYS p 20 10.539 5.836 2.973 1.00 0.00 C ATOM 320 NZ LYS p 20 11.335 5.607 4.211 1.00 0.00 N ATOM 0 H LYS p 20 5.092 4.256 0.251 1.00 0.00 H new ATOM 0 HA LYS p 20 7.856 3.384 0.278 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.274 5.360 1.557 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.878 4.301 2.816 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.969 4.981 0.886 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.249 6.412 1.596 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.628 5.461 3.875 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.369 4.046 3.155 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.108 5.495 2.108 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.370 6.905 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.239 6.116 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.804 5.955 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.519 4.589 4.322 1.00 0.00 H new ATOM 334 N GLU p 21 5.462 1.729 1.666 1.00 0.00 N ATOM 335 CA GLU p 21 5.046 0.485 2.293 1.00 0.00 C ATOM 336 C GLU p 21 5.246 -0.562 1.226 1.00 0.00 C ATOM 337 O GLU p 21 5.575 -1.721 1.496 1.00 0.00 O ATOM 338 CB GLU p 21 3.582 0.566 2.757 1.00 0.00 C ATOM 339 CG GLU p 21 2.772 -0.715 2.625 1.00 0.00 C ATOM 340 CD GLU p 21 2.390 -1.310 3.966 1.00 0.00 C ATOM 341 OE1 GLU p 21 3.173 -2.122 4.500 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.306 -0.962 4.482 1.00 0.00 O ATOM 0 H GLU p 21 4.694 2.236 1.227 1.00 0.00 H new ATOM 0 HA GLU p 21 5.618 0.255 3.192 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.569 0.875 3.802 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.083 1.349 2.186 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.867 -0.510 2.053 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.348 -1.447 2.059 1.00 0.00 H new ATOM 349 N LEU p 22 5.029 -0.090 -0.010 1.00 0.00 N ATOM 350 CA LEU p 22 5.260 -0.871 -1.200 1.00 0.00 C ATOM 351 C LEU p 22 6.763 -0.966 -1.354 1.00 0.00 C ATOM 352 O LEU p 22 7.319 -2.042 -1.567 1.00 0.00 O ATOM 353 CB LEU p 22 4.644 -0.160 -2.406 1.00 0.00 C ATOM 354 CG LEU p 22 4.287 -1.004 -3.627 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.618 -0.103 -4.634 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.519 -1.650 -4.239 1.00 0.00 C ATOM 0 H LEU p 22 4.686 0.852 -0.197 1.00 0.00 H new ATOM 0 HA LEU p 22 4.809 -1.861 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.737 0.343 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.339 0.616 -2.727 1.00 0.00 H new ATOM 0 HG LEU p 22 3.619 -1.811 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU p 22 3.351 -0.681 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.717 0.326 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.301 0.698 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU p 22 5.226 -2.243 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.220 -0.875 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.995 -2.296 -3.502 1.00 0.00 H new ATOM 368 N ALA p 23 7.398 0.202 -1.180 1.00 0.00 N ATOM 369 CA ALA p 23 8.861 0.330 -1.237 1.00 0.00 C ATOM 370 C ALA p 23 9.508 -0.336 -0.026 1.00 0.00 C ATOM 371 O ALA p 23 10.700 -0.568 -0.020 1.00 0.00 O ATOM 372 CB ALA p 23 9.301 1.788 -1.324 1.00 0.00 C ATOM 0 H ALA p 23 6.914 1.081 -0.997 1.00 0.00 H new ATOM 0 HA ALA p 23 9.192 -0.176 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.389 1.838 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.884 2.241 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.945 2.328 -0.447 1.00 0.00 H new ATOM 378 N GLN p 24 8.678 -0.637 0.983 1.00 0.00 N ATOM 379 CA GLN p 24 9.081 -1.298 2.216 1.00 0.00 C ATOM 380 C GLN p 24 9.193 -2.807 1.985 1.00 0.00 C ATOM 381 O GLN p 24 9.904 -3.508 2.697 1.00 0.00 O ATOM 382 CB GLN p 24 8.014 -0.988 3.264 1.00 0.00 C ATOM 383 CG GLN p 24 8.002 -1.918 4.448 1.00 0.00 C ATOM 384 CD GLN p 24 8.112 -1.197 5.777 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.105 -0.823 6.379 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.339 -0.999 6.243 1.00 0.00 N ATOM 0 H GLN p 24 7.682 -0.418 0.955 1.00 0.00 H new ATOM 0 HA GLN p 24 10.055 -0.943 2.552 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.162 0.031 3.622 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.035 -1.019 2.786 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.081 -2.501 4.434 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.828 -2.624 4.356 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.146 -1.326 5.711 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.475 -0.520 7.133 1.00 0.00 H new ATOM 395 N LEU p 25 8.451 -3.249 0.977 1.00 0.00 N ATOM 396 CA LEU p 25 8.369 -4.630 0.534 1.00 0.00 C ATOM 397 C LEU p 25 9.500 -4.893 -0.444 1.00 0.00 C ATOM 398 O LEU p 25 10.115 -5.948 -0.443 1.00 0.00 O ATOM 399 CB LEU p 25 7.024 -4.821 -0.170 1.00 0.00 C ATOM 400 CG LEU p 25 6.442 -6.235 -0.223 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.100 -6.158 -0.903 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.349 -7.194 -0.978 1.00 0.00 C ATOM 0 H LEU p 25 7.865 -2.624 0.423 1.00 0.00 H new ATOM 0 HA LEU p 25 8.451 -5.317 1.376 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.295 -4.177 0.321 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.128 -4.463 -1.194 1.00 0.00 H new ATOM 0 HG LEU p 25 6.346 -6.618 0.793 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.661 -7.154 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.442 -5.500 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.225 -5.764 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU p 25 6.898 -8.186 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.481 -6.841 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.319 -7.243 -0.483 1.00 0.00 H new ATOM 414 N GLU p 26 9.682 -3.899 -1.306 1.00 0.00 N ATOM 415 CA GLU p 26 10.720 -3.829 -2.320 1.00 0.00 C ATOM 416 C GLU p 26 12.030 -3.533 -1.638 1.00 0.00 C ATOM 417 O GLU p 26 13.091 -3.832 -2.160 1.00 0.00 O ATOM 418 CB GLU p 26 10.415 -2.728 -3.327 1.00 0.00 C ATOM 419 CG GLU p 26 8.971 -2.699 -3.780 1.00 0.00 C ATOM 420 CD GLU p 26 8.820 -2.760 -5.287 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.814 -1.688 -5.927 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.707 -3.881 -5.827 1.00 0.00 O ATOM 0 H GLU p 26 9.076 -3.079 -1.314 1.00 0.00 H new ATOM 0 HA GLU p 26 10.769 -4.778 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.667 -1.764 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.057 -2.857 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.439 -3.539 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.498 -1.789 -3.410 1.00 0.00 H new ATOM 429 N LYS p 27 11.903 -2.872 -0.483 1.00 0.00 N ATOM 430 CA LYS p 27 13.042 -2.578 0.400 1.00 0.00 C ATOM 431 C LYS p 27 13.272 -3.796 1.261 1.00 0.00 C ATOM 432 O LYS p 27 14.395 -4.079 1.677 1.00 0.00 O ATOM 433 CB LYS p 27 12.836 -1.342 1.276 1.00 0.00 C ATOM 434 CG LYS p 27 13.471 -0.083 0.707 1.00 0.00 C ATOM 435 CD LYS p 27 13.713 0.959 1.787 1.00 0.00 C ATOM 436 CE LYS p 27 14.346 2.216 1.212 1.00 0.00 C ATOM 437 NZ LYS p 27 14.581 3.250 2.258 1.00 0.00 N ATOM 0 H LYS p 27 11.010 -2.525 -0.132 1.00 0.00 H new ATOM 0 HA LYS p 27 13.908 -2.351 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.767 -1.173 1.407 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.252 -1.534 2.265 1.00 0.00 H new ATOM 0 HG2 LYS p 27 14.416 -0.337 0.227 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.824 0.335 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS p 27 12.768 1.213 2.268 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.362 0.543 2.558 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.293 1.960 0.736 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.699 2.625 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 15.014 4.090 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 13.675 3.514 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.219 2.869 2.986 1.00 0.00 H new ATOM 451 N GLU p 28 12.167 -4.512 1.522 1.00 0.00 N ATOM 452 CA GLU p 28 12.184 -5.756 2.225 1.00 0.00 C ATOM 453 C GLU p 28 12.794 -6.771 1.277 1.00 0.00 C ATOM 454 O GLU p 28 13.586 -7.639 1.651 1.00 0.00 O ATOM 455 CB GLU p 28 10.746 -6.103 2.523 1.00 0.00 C ATOM 456 CG GLU p 28 10.583 -7.286 3.402 1.00 0.00 C ATOM 457 CD GLU p 28 10.090 -6.942 4.795 1.00 0.00 C ATOM 458 OE1 GLU p 28 10.935 -6.654 5.668 1.00 0.00 O ATOM 459 OE2 GLU p 28 8.860 -6.961 5.011 1.00 0.00 O ATOM 0 H GLU p 28 11.233 -4.218 1.236 1.00 0.00 H new ATOM 0 HA GLU p 28 12.753 -5.727 3.154 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.265 -5.245 2.993 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.224 -6.286 1.584 1.00 0.00 H new ATOM 0 HG2 GLU p 28 9.882 -7.980 2.938 1.00 0.00 H new ATOM 0 HG3 GLU p 28 11.539 -7.804 3.481 1.00 0.00 H new ATOM 466 N LEU p 29 12.369 -6.598 0.028 1.00 0.00 N ATOM 467 CA LEU p 29 12.829 -7.380 -1.103 1.00 0.00 C ATOM 468 C LEU p 29 14.275 -7.026 -1.428 1.00 0.00 C ATOM 469 O LEU p 29 15.112 -7.907 -1.646 1.00 0.00 O ATOM 470 CB LEU p 29 11.942 -7.058 -2.304 1.00 0.00 C ATOM 471 CG LEU p 29 11.672 -8.168 -3.315 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.767 -7.612 -4.392 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.963 -8.688 -3.922 1.00 0.00 C ATOM 0 H LEU p 29 11.678 -5.892 -0.226 1.00 0.00 H new ATOM 0 HA LEU p 29 12.774 -8.442 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.981 -6.711 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.395 -6.223 -2.839 1.00 0.00 H new ATOM 0 HG LEU p 29 11.193 -9.009 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU p 29 10.559 -8.388 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.832 -7.277 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU p 29 11.258 -6.770 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.736 -9.478 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU p 29 13.479 -7.874 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.602 -9.086 -3.133 1.00 0.00 H new ATOM 791 N GLN p 51 2.448 -15.993 -4.944 1.00 0.00 N ATOM 792 CA GLN p 51 0.983 -15.900 -4.951 1.00 0.00 C ATOM 793 C GLN p 51 0.454 -15.031 -3.798 1.00 0.00 C ATOM 794 O GLN p 51 -0.746 -14.757 -3.729 1.00 0.00 O ATOM 795 CB GLN p 51 0.373 -17.310 -4.878 1.00 0.00 C ATOM 796 CG GLN p 51 -0.990 -17.446 -5.555 1.00 0.00 C ATOM 797 CD GLN p 51 -0.896 -17.554 -7.066 1.00 0.00 C ATOM 798 OE1 GLN p 51 -0.930 -16.412 -7.746 1.00 0.00 O flip ATOM 799 NE2 GLN p 51 -0.791 -18.650 -7.618 1.00 0.00 N flip ATOM 0 HA GLN p 51 0.684 -15.418 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN p 51 1.065 -18.016 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.275 -17.596 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN p 51 -1.497 -18.329 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN p 51 -1.605 -16.584 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -0.769 -19.503 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.726 -18.705 -8.634 1.00 0.00 H new ATOM 808 N ALA p 52 1.344 -14.638 -2.883 1.00 0.00 N ATOM 809 CA ALA p 52 0.965 -13.824 -1.725 1.00 0.00 C ATOM 810 C ALA p 52 1.456 -12.372 -1.820 1.00 0.00 C ATOM 811 O ALA p 52 1.057 -11.531 -1.018 1.00 0.00 O ATOM 812 CB ALA p 52 1.506 -14.477 -0.463 1.00 0.00 C ATOM 0 H ALA p 52 2.336 -14.872 -2.922 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.124 -13.778 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA p 52 1.229 -13.878 0.404 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.086 -15.478 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.592 -14.544 -0.525 1.00 0.00 H new ATOM 818 N LEU p 53 2.349 -12.101 -2.770 1.00 0.00 N ATOM 819 CA LEU p 53 2.921 -10.787 -2.970 1.00 0.00 C ATOM 820 C LEU p 53 2.195 -10.028 -4.075 1.00 0.00 C ATOM 821 O LEU p 53 1.452 -9.087 -3.817 1.00 0.00 O ATOM 822 CB LEU p 53 4.403 -10.966 -3.297 1.00 0.00 C ATOM 823 CG LEU p 53 5.321 -9.804 -2.962 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.710 -10.344 -2.714 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.328 -8.805 -4.103 1.00 0.00 C ATOM 0 H LEU p 53 2.694 -12.801 -3.426 1.00 0.00 H new ATOM 0 HA LEU p 53 2.810 -10.191 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.764 -11.848 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.493 -11.174 -4.363 1.00 0.00 H new ATOM 0 HG LEU p 53 4.968 -9.291 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.382 -9.521 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.684 -11.048 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.068 -10.853 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.989 -7.974 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.683 -9.292 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.318 -8.429 -4.264 1.00 0.00 H new ATOM 837 N LYS p 54 2.396 -10.511 -5.306 1.00 0.00 N ATOM 838 CA LYS p 54 1.800 -9.928 -6.527 1.00 0.00 C ATOM 839 C LYS p 54 0.270 -10.013 -6.523 1.00 0.00 C ATOM 840 O LYS p 54 -0.395 -9.381 -7.340 1.00 0.00 O ATOM 841 CB LYS p 54 2.353 -10.635 -7.770 1.00 0.00 C ATOM 842 CG LYS p 54 3.799 -10.281 -8.086 1.00 0.00 C ATOM 843 CD LYS p 54 4.299 -11.022 -9.315 1.00 0.00 C ATOM 844 CE LYS p 54 5.749 -10.681 -9.618 1.00 0.00 C ATOM 845 NZ LYS p 54 6.253 -11.406 -10.818 1.00 0.00 N ATOM 0 H LYS p 54 2.982 -11.325 -5.491 1.00 0.00 H new ATOM 0 HA LYS p 54 2.072 -8.873 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.275 -11.713 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.731 -10.381 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS p 54 3.884 -9.207 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.430 -10.525 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.202 -12.096 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.677 -10.767 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.843 -9.607 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.368 -10.931 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.245 -11.145 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.187 -12.431 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.679 -11.148 -11.646 1.00 0.00 H new ATOM 859 N LYS p 55 -0.250 -10.814 -5.596 1.00 0.00 N ATOM 860 CA LYS p 55 -1.666 -11.030 -5.403 1.00 0.00 C ATOM 861 C LYS p 55 -2.178 -10.116 -4.312 1.00 0.00 C ATOM 862 O LYS p 55 -3.269 -9.559 -4.423 1.00 0.00 O ATOM 863 CB LYS p 55 -1.932 -12.490 -5.061 1.00 0.00 C ATOM 864 CG LYS p 55 -2.226 -13.370 -6.271 1.00 0.00 C ATOM 865 CD LYS p 55 -3.708 -13.380 -6.621 1.00 0.00 C ATOM 866 CE LYS p 55 -3.984 -14.228 -7.853 1.00 0.00 C ATOM 867 NZ LYS p 55 -5.422 -14.196 -8.240 1.00 0.00 N ATOM 0 H LYS p 55 0.328 -11.343 -4.943 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.196 -10.797 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.066 -12.892 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.776 -12.543 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -1.654 -13.013 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.894 -14.388 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -4.280 -13.766 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -4.048 -12.360 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.377 -13.869 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.683 -15.258 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -5.568 -14.786 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -6.000 -14.562 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -5.703 -13.217 -8.450 1.00 0.00 H new ATOM 881 N LYS p 56 -1.365 -9.972 -3.248 1.00 0.00 N ATOM 882 CA LYS p 56 -1.710 -9.071 -2.122 1.00 0.00 C ATOM 883 C LYS p 56 -1.456 -7.612 -2.524 1.00 0.00 C ATOM 884 O LYS p 56 -1.865 -6.672 -1.843 1.00 0.00 O ATOM 885 CB LYS p 56 -0.923 -9.419 -0.865 1.00 0.00 C ATOM 886 CG LYS p 56 -1.571 -10.520 -0.037 1.00 0.00 C ATOM 887 CD LYS p 56 -0.842 -10.735 1.280 1.00 0.00 C ATOM 888 CE LYS p 56 -1.505 -11.815 2.124 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.245 -13.184 1.594 1.00 0.00 N ATOM 0 H LYS p 56 -0.475 -10.459 -3.141 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.768 -9.204 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.082 -9.730 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.819 -8.525 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.612 -10.262 0.161 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.575 -11.449 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS p 56 0.193 -11.013 1.081 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -0.819 -9.800 1.839 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -1.139 -11.749 3.149 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.580 -11.638 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -2.109 -13.757 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.961 -13.122 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -0.483 -13.630 2.143 1.00 0.00 H new ATOM 903 N LEU p 57 -0.760 -7.488 -3.653 1.00 0.00 N ATOM 904 CA LEU p 57 -0.404 -6.240 -4.301 1.00 0.00 C ATOM 905 C LEU p 57 -1.477 -5.956 -5.310 1.00 0.00 C ATOM 906 O LEU p 57 -1.944 -4.829 -5.459 1.00 0.00 O ATOM 907 CB LEU p 57 0.937 -6.384 -5.015 1.00 0.00 C ATOM 908 CG LEU p 57 2.169 -5.834 -4.300 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.341 -6.464 -2.925 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.380 -6.101 -5.166 1.00 0.00 C ATOM 0 H LEU p 57 -0.414 -8.302 -4.162 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.318 -5.435 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.104 -7.443 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.859 -5.890 -5.983 1.00 0.00 H new ATOM 0 HG LEU p 57 2.049 -4.762 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.227 -6.050 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.463 -6.251 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.456 -7.543 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.272 -5.715 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.487 -7.175 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.255 -5.606 -6.129 1.00 0.00 H new ATOM 922 N ALA p 58 -1.834 -7.036 -6.020 1.00 0.00 N ATOM 923 CA ALA p 58 -2.934 -7.003 -7.010 1.00 0.00 C ATOM 924 C ALA p 58 -4.270 -6.765 -6.298 1.00 0.00 C ATOM 925 O ALA p 58 -5.262 -6.363 -6.913 1.00 0.00 O ATOM 926 CB ALA p 58 -2.996 -8.286 -7.821 1.00 0.00 C ATOM 0 H ALA p 58 -1.381 -7.945 -5.931 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.739 -6.183 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.816 -8.225 -8.537 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.056 -8.424 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.161 -9.131 -7.153 1.00 0.00 H new ATOM 932 N GLN p 59 -4.254 -7.030 -4.987 1.00 0.00 N ATOM 933 CA GLN p 59 -5.370 -6.840 -4.099 1.00 0.00 C ATOM 934 C GLN p 59 -5.248 -5.456 -3.462 1.00 0.00 C ATOM 935 O GLN p 59 -6.237 -4.860 -3.056 1.00 0.00 O ATOM 936 CB GLN p 59 -5.322 -7.951 -3.050 1.00 0.00 C ATOM 937 CG GLN p 59 -6.108 -7.668 -1.792 1.00 0.00 C ATOM 938 CD GLN p 59 -7.127 -8.744 -1.472 1.00 0.00 C ATOM 939 OE1 GLN p 59 -6.826 -9.711 -0.773 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.343 -8.579 -1.982 1.00 0.00 N ATOM 0 H GLN p 59 -3.427 -7.395 -4.514 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.325 -6.890 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.698 -8.871 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.282 -8.131 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.418 -7.569 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.620 -6.711 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.549 -7.762 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.071 -9.270 -1.799 1.00 0.00 H new ATOM 949 N LEU p 60 -3.998 -4.994 -3.385 1.00 0.00 N ATOM 950 CA LEU p 60 -3.637 -3.685 -2.840 1.00 0.00 C ATOM 951 C LEU p 60 -3.736 -2.625 -3.943 1.00 0.00 C ATOM 952 O LEU p 60 -3.660 -1.425 -3.696 1.00 0.00 O ATOM 953 CB LEU p 60 -2.213 -3.742 -2.257 1.00 0.00 C ATOM 954 CG LEU p 60 -1.737 -2.531 -1.429 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.933 -1.602 -2.313 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.907 -1.787 -0.801 1.00 0.00 C ATOM 0 H LEU p 60 -3.193 -5.531 -3.707 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.326 -3.415 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.142 -4.629 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.516 -3.880 -3.083 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.110 -2.896 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.596 -0.745 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.068 -2.134 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.555 -1.256 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.533 -0.940 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.572 -1.427 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.455 -2.460 -0.142 1.00 0.00 H new ATOM 968 N LYS p 61 -3.889 -3.142 -5.151 1.00 0.00 N ATOM 969 CA LYS p 61 -4.053 -2.396 -6.389 1.00 0.00 C ATOM 970 C LYS p 61 -5.542 -2.297 -6.628 1.00 0.00 C ATOM 971 O LYS p 61 -6.053 -1.344 -7.223 1.00 0.00 O ATOM 972 CB LYS p 61 -3.358 -3.136 -7.533 1.00 0.00 C ATOM 973 CG LYS p 61 -2.009 -2.548 -7.923 1.00 0.00 C ATOM 974 CD LYS p 61 -2.130 -1.566 -9.079 1.00 0.00 C ATOM 975 CE LYS p 61 -0.783 -0.954 -9.430 1.00 0.00 C ATOM 976 NZ LYS p 61 -0.888 0.013 -10.558 1.00 0.00 N ATOM 0 H LYS p 61 -3.903 -4.151 -5.303 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.607 -1.403 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.219 -4.178 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.011 -3.130 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.571 -2.043 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.329 -3.353 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.538 -2.077 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.833 -0.776 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.375 -0.448 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -0.083 -1.746 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 0.052 0.407 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -1.253 -0.475 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -1.536 0.783 -10.296 1.00 0.00 H new ATOM 990 N TRP p 62 -6.212 -3.342 -6.127 1.00 0.00 N ATOM 991 CA TRP p 62 -7.657 -3.455 -6.136 1.00 0.00 C ATOM 992 C TRP p 62 -8.167 -2.688 -4.931 1.00 0.00 C ATOM 993 O TRP p 62 -9.275 -2.147 -4.939 1.00 0.00 O ATOM 994 CB TRP p 62 -8.095 -4.917 -6.072 1.00 0.00 C ATOM 995 CG TRP p 62 -9.112 -5.280 -7.114 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.866 -5.857 -8.327 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.536 -5.090 -7.043 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.041 -6.040 -9.012 1.00 0.00 N ATOM 999 CE2 TRP p 62 -11.080 -5.579 -8.247 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.404 -4.558 -6.081 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.447 -5.550 -8.514 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.759 -4.532 -6.348 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.270 -5.025 -7.554 1.00 0.00 C ATOM 0 H TRP p 62 -5.747 -4.142 -5.698 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.067 -3.046 -7.059 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.220 -5.556 -6.190 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.508 -5.122 -5.084 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.888 -6.130 -8.694 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -10.127 -6.453 -9.941 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -11.021 -4.175 -5.147 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.843 -5.928 -9.445 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.436 -4.124 -5.613 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.335 -4.991 -7.731 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.316 -2.666 -3.888 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.602 -1.896 -2.668 1.00 0.00 C ATOM 1016 C LYS p 63 -7.141 -0.444 -2.857 1.00 0.00 C ATOM 1017 O LYS p 63 -7.488 0.436 -2.071 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.935 -2.502 -1.434 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.737 -3.626 -0.800 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.123 -4.076 0.518 1.00 0.00 C ATOM 1021 CE LYS p 63 -7.912 -5.215 1.151 1.00 0.00 C ATOM 1022 NZ LYS p 63 -9.213 -4.755 1.715 1.00 0.00 N ATOM 0 H LYS p 63 -6.430 -3.171 -3.868 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.679 -1.926 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.951 -2.881 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.777 -1.717 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.761 -3.293 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.786 -4.471 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.095 -4.396 0.349 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.085 -3.233 1.208 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -8.095 -5.987 0.404 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -7.317 -5.671 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -9.707 -5.560 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -9.040 -4.025 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -9.801 -4.359 0.954 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.336 -0.241 -3.915 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.791 1.058 -4.317 1.00 0.00 C ATOM 1038 C LEU p 64 -6.819 1.796 -5.166 1.00 0.00 C ATOM 1039 O LEU p 64 -6.928 3.011 -5.140 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.526 0.805 -5.137 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.513 1.938 -5.306 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -2.324 1.367 -6.031 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -4.085 3.102 -6.100 1.00 0.00 C ATOM 0 H LEU p 64 -6.041 -1.001 -4.528 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.557 1.665 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -4.004 -0.038 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.837 0.490 -6.133 1.00 0.00 H new ATOM 0 HG LEU p 64 -3.240 2.328 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -1.575 2.146 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -1.896 0.554 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.639 0.986 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.331 3.883 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.377 2.757 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.958 3.501 -5.583 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.486 0.988 -5.963 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.575 1.346 -6.842 1.00 0.00 C ATOM 1057 C GLN p 65 -9.826 1.508 -5.978 1.00 0.00 C ATOM 1058 O GLN p 65 -10.813 2.120 -6.372 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.721 0.212 -7.866 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.103 0.066 -8.461 1.00 0.00 C ATOM 1061 CD GLN p 65 -10.091 -0.044 -9.973 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -10.167 0.961 -10.680 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.997 -1.269 -10.477 1.00 0.00 N ATOM 0 H GLN p 65 -7.264 -0.006 -6.016 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.406 2.279 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.009 0.378 -8.674 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.446 -0.728 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.581 -0.820 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.710 0.923 -8.170 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.936 -2.074 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.986 -1.405 -11.488 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.708 0.915 -4.792 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.715 0.944 -3.735 1.00 0.00 C ATOM 1074 C ALA p 66 -10.345 2.086 -2.812 1.00 0.00 C ATOM 1075 O ALA p 66 -11.158 2.581 -2.036 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.768 -0.370 -2.973 1.00 0.00 C ATOM 0 H ALA p 66 -8.878 0.382 -4.532 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.707 1.088 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.529 -0.309 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.015 -1.179 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.798 -0.565 -2.517 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.060 2.457 -2.932 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.443 3.577 -2.232 1.00 0.00 C ATOM 1084 C LEU p 67 -8.727 4.805 -3.089 1.00 0.00 C ATOM 1085 O LEU p 67 -9.036 5.883 -2.597 1.00 0.00 O ATOM 1086 CB LEU p 67 -6.918 3.320 -2.095 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.023 4.377 -1.395 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -4.970 4.866 -2.373 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -6.820 5.553 -0.869 1.00 0.00 C ATOM 0 H LEU p 67 -8.407 1.964 -3.541 1.00 0.00 H new ATOM 0 HA LEU p 67 -8.836 3.712 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -6.793 2.380 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.521 3.170 -3.099 1.00 0.00 H new ATOM 0 HG LEU p 67 -5.553 3.898 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.338 5.609 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.357 4.025 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.458 5.315 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.147 6.263 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.334 6.043 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -7.553 5.200 -0.144 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.614 4.568 -4.389 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.890 5.550 -5.434 1.00 0.00 C ATOM 1103 C LYS p 68 -10.386 5.696 -5.571 1.00 0.00 C ATOM 1104 O LYS p 68 -10.875 6.733 -6.007 1.00 0.00 O ATOM 1105 CB LYS p 68 -8.264 5.160 -6.771 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.810 5.576 -6.907 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.234 5.155 -8.252 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.804 5.646 -8.434 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.741 7.116 -8.679 1.00 0.00 N ATOM 0 H LYS p 68 -8.320 3.664 -4.758 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.441 6.501 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.337 4.080 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.840 5.613 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.728 6.657 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.225 5.128 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.258 4.068 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.858 5.549 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.222 5.402 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.344 5.120 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -3.759 7.393 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -5.343 7.359 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -5.077 7.623 -7.836 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.099 4.610 -5.221 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.562 4.622 -5.176 1.00 0.00 C ATOM 1125 C LYS p 69 -12.963 5.217 -3.832 1.00 0.00 C ATOM 1126 O LYS p 69 -14.104 5.631 -3.623 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.138 3.220 -5.334 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.821 2.973 -6.673 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.315 3.269 -6.611 1.00 0.00 C ATOM 1130 CE LYS p 69 -16.002 2.999 -7.943 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.137 1.542 -8.220 1.00 0.00 N ATOM 0 H LYS p 69 -10.680 3.716 -4.966 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.957 5.215 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.335 2.493 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.857 3.042 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.358 3.597 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.668 1.936 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.775 2.657 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.468 4.311 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -16.990 3.460 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.433 3.469 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -16.625 1.405 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -15.193 1.108 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.688 1.094 -7.460 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.965 5.224 -2.930 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.062 5.812 -1.603 1.00 0.00 C ATOM 1147 C LYS p 70 -11.574 7.246 -1.696 1.00 0.00 C ATOM 1148 O LYS p 70 -11.911 8.091 -0.870 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.213 5.045 -0.602 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.013 4.220 0.395 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.226 4.969 1.705 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.013 4.139 2.709 1.00 0.00 C ATOM 1153 NZ LYS p 70 -12.197 3.035 3.291 1.00 0.00 N ATOM 0 H LYS p 70 -11.052 4.809 -3.118 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.096 5.773 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.540 4.383 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.590 5.752 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -12.980 3.963 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -11.493 3.283 0.592 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.259 5.236 2.132 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.756 5.901 1.509 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.371 4.785 3.511 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.893 3.720 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -12.774 2.497 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -11.876 2.402 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -11.371 3.435 3.780 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.738 7.467 -2.721 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.189 8.780 -3.060 1.00 0.00 C ATOM 1169 C ASN p 71 -11.156 9.451 -4.030 1.00 0.00 C ATOM 1170 O ASN p 71 -11.067 10.645 -4.297 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.798 8.666 -3.692 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.929 9.878 -3.408 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.206 9.920 -2.413 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.997 10.873 -4.286 1.00 0.00 N ATOM 0 H ASN p 71 -10.422 6.724 -3.345 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.076 9.372 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.303 7.771 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.901 8.542 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.436 11.714 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.610 10.796 -5.097 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.056 8.607 -4.563 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.145 8.992 -5.453 1.00 0.00 C ATOM 1183 C ALA p 72 -14.339 9.227 -4.563 1.00 0.00 C ATOM 1184 O ALA p 72 -15.293 9.910 -4.924 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.455 7.913 -6.481 1.00 0.00 C ATOM 0 H ALA p 72 -12.037 7.605 -4.374 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.875 9.880 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.272 8.245 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.570 7.725 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.744 6.995 -5.969 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.233 8.596 -3.378 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.164 8.691 -2.302 1.00 0.00 C ATOM 1193 C GLN p 73 -14.792 9.936 -1.528 1.00 0.00 C ATOM 1194 O GLN p 73 -15.630 10.633 -0.971 1.00 0.00 O ATOM 1195 CB GLN p 73 -14.961 7.467 -1.450 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.909 7.357 -0.308 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.847 6.172 -0.413 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.545 5.081 0.072 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -17.994 6.379 -1.050 1.00 0.00 N ATOM 0 H GLN p 73 -13.447 7.983 -3.162 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.203 8.748 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.060 6.581 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -13.942 7.472 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.341 7.280 0.619 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.498 8.272 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.204 7.299 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.665 5.618 -1.153 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.474 10.121 -1.490 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.818 11.274 -0.888 1.00 0.00 C ATOM 1210 C LEU p 74 -12.937 12.439 -1.851 1.00 0.00 C ATOM 1211 O LEU p 74 -12.959 13.574 -1.452 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.347 10.969 -0.609 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.627 11.872 0.398 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.055 11.580 1.835 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.136 11.678 0.235 1.00 0.00 C ATOM 0 H LEU p 74 -12.816 9.452 -1.890 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.294 11.518 0.062 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.276 9.941 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.806 11.017 -1.554 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.896 12.909 0.197 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.520 12.242 2.516 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.128 11.745 1.936 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -10.823 10.544 2.080 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.607 12.314 0.945 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -8.882 10.635 0.423 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.843 11.945 -0.780 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.031 12.101 -3.134 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.227 13.067 -4.211 1.00 0.00 C ATOM 1229 C LYS p 75 -14.709 13.336 -4.268 1.00 0.00 C ATOM 1230 O LYS p 75 -15.175 14.343 -4.807 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.742 12.509 -5.543 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.651 13.327 -6.212 1.00 0.00 C ATOM 1233 CD LYS p 75 -12.173 14.058 -7.439 1.00 0.00 C ATOM 1234 CE LYS p 75 -11.079 14.873 -8.109 1.00 0.00 C ATOM 1235 NZ LYS p 75 -11.573 15.573 -9.326 1.00 0.00 N ATOM 0 H LYS p 75 -12.972 11.136 -3.459 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.658 13.978 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.373 11.496 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.591 12.436 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.249 14.049 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.829 12.672 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.577 13.337 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.993 14.715 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.688 15.605 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -10.251 14.217 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -10.796 16.117 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -11.923 14.873 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -12.346 16.219 -9.066 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.430 12.373 -3.678 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.876 12.443 -3.539 1.00 0.00 C ATOM 1251 C LYS p 76 -17.186 13.152 -2.242 1.00 0.00 C ATOM 1252 O LYS p 76 -18.185 13.868 -2.126 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.495 11.052 -3.537 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.257 10.704 -4.807 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.747 10.966 -4.653 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.514 10.582 -5.907 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.984 10.720 -5.720 1.00 0.00 N ATOM 0 H LYS p 76 -15.019 11.526 -3.286 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.299 12.987 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.705 10.316 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.172 10.970 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.867 11.291 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.095 9.655 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.131 10.401 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.911 12.021 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -20.193 11.212 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.277 9.553 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -22.473 10.449 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -22.295 10.100 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -22.213 11.707 -5.487 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.299 12.931 -1.265 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.406 13.576 0.028 1.00 0.00 C ATOM 1273 C LYS p 77 -15.677 14.916 0.018 1.00 0.00 C ATOM 1274 O LYS p 77 -15.897 15.753 0.898 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.850 12.672 1.120 1.00 0.00 C ATOM 1276 CG LYS p 77 -16.894 11.785 1.773 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.381 11.179 3.068 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.439 10.317 3.739 1.00 0.00 C ATOM 1279 NZ LYS p 77 -16.952 9.733 5.018 1.00 0.00 N ATOM 0 H LYS p 77 -15.499 12.305 -1.356 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.460 13.760 0.237 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.068 12.043 0.695 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.381 13.290 1.886 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.793 12.368 1.974 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.178 10.989 1.085 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.496 10.577 2.863 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.075 11.975 3.747 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.328 10.917 3.930 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -17.735 9.515 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -17.703 9.153 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -16.118 9.139 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -16.693 10.498 5.673 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.802 15.108 -0.990 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.043 16.359 -1.150 1.00 0.00 C ATOM 1295 C LEU p 78 -14.954 17.580 -1.278 1.00 0.00 C ATOM 1296 O LEU p 78 -14.901 18.507 -0.463 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.162 16.262 -2.401 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.653 16.193 -2.168 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.949 15.849 -3.466 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.135 17.510 -1.624 1.00 0.00 C ATOM 0 H LEU p 78 -14.605 14.409 -1.706 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.435 16.489 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.462 15.377 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.371 17.125 -3.033 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.448 15.415 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -9.874 15.801 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.303 14.883 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.164 16.615 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.059 17.440 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.345 18.306 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.628 17.732 -0.677 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.777 17.546 -2.312 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.741 18.597 -2.614 1.00 0.00 C ATOM 1314 C GLN p 79 -18.085 18.342 -1.935 1.00 0.00 C ATOM 1315 O GLN p 79 -18.702 19.259 -1.384 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.927 18.723 -4.136 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.893 17.407 -4.913 1.00 0.00 C ATOM 1318 CD GLN p 79 -17.085 17.605 -6.404 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -18.210 17.592 -6.904 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.984 17.790 -7.123 1.00 0.00 N ATOM 0 H GLN p 79 -15.796 16.774 -2.979 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.346 19.534 -2.222 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.881 19.214 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.147 19.376 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.939 16.909 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.673 16.746 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -15.072 17.793 -6.667 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -16.051 17.929 -8.131 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.515 17.076 -1.983 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.791 16.601 -1.394 1.00 0.00 C ATOM 1331 C ALA p 80 -21.012 17.296 -2.014 1.00 0.00 C ATOM 1332 O ALA p 80 -21.174 18.518 -1.809 1.00 0.00 O ATOM 1333 CB ALA p 80 -19.797 16.752 0.131 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.795 16.604 -2.700 1.00 0.00 O ATOM 0 H ALA p 80 -17.984 16.334 -2.438 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.865 15.540 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -20.747 16.394 0.528 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.982 16.167 0.558 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.666 17.802 0.393 1.00 0.00 H new