USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=3 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 Set 1.1: p 11 ASN : amide:sc= 0.379 K(o=0.85,f=-1.2!) USER MOD Set 1.2: p 71 ASN : amide:sc= 0.468 K(o=0.85,f=-1.6) USER MOD Set 2.1: p 51 GLN : amide:sc= 0.277 K(o=0.57,f=-3.9!) USER MOD Set 2.2: p 55 LYS NZ :NH3+ 164:sc= 0.29 (180deg=0) USER MOD Set 3.1: p 20 LYS NZ :NH3+ 161:sc= -0.764 (180deg=0) USER MOD Set 3.2: p 27 LYS NZ :NH3+ 169:sc= -0.722 (180deg=0) 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 16 GLN : amide:sc= 0.0015 X(o=0.0015,f=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -6.320 20.356 5.771 1.00 0.00 N ATOM 38 CA ALA p 3 -6.996 19.321 6.556 1.00 0.00 C ATOM 39 C ALA p 3 -7.365 18.115 5.710 1.00 0.00 C ATOM 40 O ALA p 3 -7.290 16.979 6.164 1.00 0.00 O ATOM 41 CB ALA p 3 -8.230 19.895 7.239 1.00 0.00 C ATOM 0 HA ALA p 3 -6.296 18.979 7.318 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.722 19.114 7.819 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.934 20.707 7.903 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.919 20.276 6.485 1.00 0.00 H new ATOM 47 N LEU p 4 -7.820 18.416 4.502 1.00 0.00 N ATOM 48 CA LEU p 4 -8.253 17.453 3.522 1.00 0.00 C ATOM 49 C LEU p 4 -7.117 17.143 2.562 1.00 0.00 C ATOM 50 O LEU p 4 -6.648 16.013 2.469 1.00 0.00 O ATOM 51 CB LEU p 4 -9.455 18.048 2.782 1.00 0.00 C ATOM 52 CG LEU p 4 -10.385 17.068 2.083 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.734 17.724 1.926 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.827 16.672 0.726 1.00 0.00 C ATOM 0 H LEU p 4 -7.897 19.378 4.173 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.542 16.517 3.999 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -10.043 18.623 3.497 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.081 18.751 2.038 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.478 16.160 2.679 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.417 17.037 1.426 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -12.131 17.979 2.909 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.631 18.631 1.330 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.508 15.971 0.243 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.720 17.560 0.103 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.853 16.201 0.857 1.00 0.00 H new ATOM 66 N GLU p 5 -6.707 18.199 1.858 1.00 0.00 N ATOM 67 CA GLU p 5 -5.630 18.167 0.849 1.00 0.00 C ATOM 68 C GLU p 5 -4.309 17.702 1.426 1.00 0.00 C ATOM 69 O GLU p 5 -3.503 17.104 0.719 1.00 0.00 O ATOM 70 CB GLU p 5 -5.428 19.546 0.217 1.00 0.00 C ATOM 71 CG GLU p 5 -6.705 20.354 0.075 1.00 0.00 C ATOM 72 CD GLU p 5 -6.955 20.820 -1.347 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.309 21.802 -1.772 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.795 20.203 -2.034 1.00 0.00 O ATOM 0 H GLU p 5 -7.120 19.125 1.971 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.949 17.451 0.092 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.718 20.111 0.822 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.978 19.420 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.549 19.750 0.408 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.655 21.222 0.733 1.00 0.00 H new ATOM 81 N LYS p 6 -4.096 18.011 2.701 1.00 0.00 N ATOM 82 CA LYS p 6 -2.874 17.601 3.406 1.00 0.00 C ATOM 83 C LYS p 6 -3.085 16.261 4.097 1.00 0.00 C ATOM 84 O LYS p 6 -2.137 15.653 4.581 1.00 0.00 O ATOM 85 CB LYS p 6 -2.401 18.648 4.400 1.00 0.00 C ATOM 86 CG LYS p 6 -1.406 19.643 3.813 1.00 0.00 C ATOM 87 CD LYS p 6 -0.604 20.344 4.898 1.00 0.00 C ATOM 88 CE LYS p 6 0.494 21.212 4.301 1.00 0.00 C ATOM 89 NZ LYS p 6 1.345 21.835 5.352 1.00 0.00 N ATOM 0 H LYS p 6 -4.751 18.544 3.273 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.089 17.496 2.657 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.265 19.193 4.780 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.941 18.147 5.251 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.727 19.123 3.137 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.940 20.385 3.219 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.269 20.960 5.504 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.163 19.602 5.563 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.117 20.607 3.642 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.045 21.993 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.080 22.418 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.756 22.433 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.794 21.090 5.922 1.00 0.00 H new ATOM 103 N GLU p 7 -4.355 15.848 4.154 1.00 0.00 N ATOM 104 CA GLU p 7 -4.777 14.553 4.682 1.00 0.00 C ATOM 105 C GLU p 7 -4.746 13.587 3.497 1.00 0.00 C ATOM 106 O GLU p 7 -4.676 12.369 3.636 1.00 0.00 O ATOM 107 CB GLU p 7 -6.186 14.692 5.269 1.00 0.00 C ATOM 108 CG GLU p 7 -7.058 13.452 5.176 1.00 0.00 C ATOM 109 CD GLU p 7 -7.537 12.962 6.528 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.611 13.414 6.977 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.839 12.125 7.138 1.00 0.00 O ATOM 0 H GLU p 7 -5.133 16.420 3.826 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.131 14.187 5.480 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.097 14.975 6.318 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.694 15.511 4.760 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.922 13.668 4.547 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.498 12.656 4.685 1.00 0.00 H new ATOM 118 N LEU p 8 -4.807 14.240 2.341 1.00 0.00 N ATOM 119 CA LEU p 8 -4.759 13.673 1.017 1.00 0.00 C ATOM 120 C LEU p 8 -3.302 13.636 0.613 1.00 0.00 C ATOM 121 O LEU p 8 -2.856 12.738 -0.088 1.00 0.00 O ATOM 122 CB LEU p 8 -5.531 14.606 0.083 1.00 0.00 C ATOM 123 CG LEU p 8 -6.073 14.048 -1.233 1.00 0.00 C ATOM 124 CD1 LEU p 8 -6.797 15.171 -1.932 1.00 0.00 C ATOM 125 CD2 LEU p 8 -4.967 13.510 -2.130 1.00 0.00 C ATOM 0 H LEU p 8 -4.898 15.256 2.314 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.193 12.674 0.975 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.375 15.009 0.643 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -4.879 15.445 -0.158 1.00 0.00 H new ATOM 0 HG LEU p 8 -6.738 13.211 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -7.200 14.811 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -7.613 15.526 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.103 15.990 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.402 13.125 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.267 14.312 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -4.439 12.708 -1.615 1.00 0.00 H new ATOM 137 N ALA p 9 -2.604 14.692 1.055 1.00 0.00 N ATOM 138 CA ALA p 9 -1.159 14.852 0.869 1.00 0.00 C ATOM 139 C ALA p 9 -0.456 13.990 1.906 1.00 0.00 C ATOM 140 O ALA p 9 0.724 13.654 1.778 1.00 0.00 O ATOM 141 CB ALA p 9 -0.710 16.302 0.984 1.00 0.00 C ATOM 0 H ALA p 9 -3.035 15.468 1.558 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.898 14.536 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.369 16.362 0.838 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.213 16.900 0.224 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.964 16.684 1.973 1.00 0.00 H new ATOM 147 N GLN p 10 -1.239 13.650 2.944 1.00 0.00 N ATOM 148 CA GLN p 10 -0.823 12.768 4.012 1.00 0.00 C ATOM 149 C GLN p 10 -1.195 11.369 3.566 1.00 0.00 C ATOM 150 O GLN p 10 -0.541 10.406 3.915 1.00 0.00 O ATOM 151 CB GLN p 10 -1.519 13.161 5.321 1.00 0.00 C ATOM 152 CG GLN p 10 -1.823 12.019 6.275 1.00 0.00 C ATOM 153 CD GLN p 10 -1.003 12.079 7.549 1.00 0.00 C ATOM 154 OE1 GLN p 10 -1.415 12.685 8.538 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.167 11.451 7.530 1.00 0.00 N ATOM 0 H GLN p 10 -2.193 13.994 3.053 1.00 0.00 H new ATOM 0 HA GLN p 10 0.248 12.830 4.207 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.893 13.887 5.840 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.454 13.664 5.077 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.883 12.038 6.530 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.633 11.071 5.771 1.00 0.00 H new ATOM 0 HE21 GLN p 10 0.469 10.961 6.688 1.00 0.00 H new ATOM 0 HE22 GLN p 10 0.763 11.459 8.357 1.00 0.00 H new ATOM 164 N ASN p 11 -2.266 11.333 2.759 1.00 0.00 N ATOM 165 CA ASN p 11 -2.798 10.119 2.135 1.00 0.00 C ATOM 166 C ASN p 11 -1.962 9.845 0.905 1.00 0.00 C ATOM 167 O ASN p 11 -1.976 8.748 0.357 1.00 0.00 O ATOM 168 CB ASN p 11 -4.272 10.271 1.741 1.00 0.00 C ATOM 169 CG ASN p 11 -5.037 8.954 1.768 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.777 8.078 2.596 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.991 8.810 0.856 1.00 0.00 N ATOM 0 H ASN p 11 -2.797 12.170 2.518 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.748 9.295 2.846 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.752 10.977 2.419 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.332 10.699 0.740 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.540 7.951 0.823 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.175 9.559 0.188 1.00 0.00 H new ATOM 178 N GLU p 12 -1.266 10.914 0.484 1.00 0.00 N ATOM 179 CA GLU p 12 -0.326 10.916 -0.591 1.00 0.00 C ATOM 180 C GLU p 12 0.982 10.461 0.011 1.00 0.00 C ATOM 181 O GLU p 12 1.837 9.868 -0.636 1.00 0.00 O ATOM 182 CB GLU p 12 -0.205 12.338 -1.066 1.00 0.00 C ATOM 183 CG GLU p 12 0.766 12.525 -2.179 1.00 0.00 C ATOM 184 CD GLU p 12 0.136 13.065 -3.449 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.310 12.250 -4.283 1.00 0.00 O ATOM 186 OE2 GLU p 12 0.090 14.303 -3.607 1.00 0.00 O ATOM 0 H GLU p 12 -1.366 11.831 0.920 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.614 10.275 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.185 12.686 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.095 12.966 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.551 13.207 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU p 12 1.244 11.570 -2.398 1.00 0.00 H new ATOM 193 N TRP p 13 1.077 10.844 1.280 1.00 0.00 N ATOM 194 CA TRP p 13 2.182 10.515 2.174 1.00 0.00 C ATOM 195 C TRP p 13 1.973 9.100 2.710 1.00 0.00 C ATOM 196 O TRP p 13 2.914 8.453 3.161 1.00 0.00 O ATOM 197 CB TRP p 13 2.291 11.517 3.326 1.00 0.00 C ATOM 198 CG TRP p 13 3.674 11.618 3.910 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.177 10.880 4.943 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.727 12.504 3.498 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.475 11.250 5.201 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.836 12.244 4.328 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.846 13.491 2.510 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.040 12.932 4.201 1.00 0.00 C ATOM 205 CZ3 TRP p 13 6.042 14.172 2.388 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.125 13.890 3.229 1.00 0.00 C ATOM 0 H TRP p 13 0.360 11.413 1.731 1.00 0.00 H new ATOM 0 HA TRP p 13 3.117 10.568 1.616 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.983 12.501 2.971 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.594 11.230 4.113 1.00 0.00 H new ATOM 0 HD1 TRP p 13 3.633 10.116 5.479 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.073 10.850 5.924 1.00 0.00 H new ATOM 0 HE3 TRP p 13 4.017 13.715 1.855 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.878 12.716 4.848 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.143 14.935 1.631 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.046 14.440 3.108 1.00 0.00 H new ATOM 217 N GLU p 14 0.698 8.667 2.677 1.00 0.00 N ATOM 218 CA GLU p 14 0.293 7.297 3.061 1.00 0.00 C ATOM 219 C GLU p 14 0.285 6.492 1.798 1.00 0.00 C ATOM 220 O GLU p 14 0.231 5.269 1.807 1.00 0.00 O ATOM 221 CB GLU p 14 -1.088 7.227 3.701 1.00 0.00 C ATOM 222 CG GLU p 14 -1.242 8.188 4.839 1.00 0.00 C ATOM 223 CD GLU p 14 -1.922 7.585 6.053 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.211 7.036 6.920 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.166 7.662 6.136 1.00 0.00 O ATOM 0 H GLU p 14 -0.082 9.256 2.384 1.00 0.00 H new ATOM 0 HA GLU p 14 0.992 6.922 3.809 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.846 7.438 2.946 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.268 6.213 4.059 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.258 8.556 5.129 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.817 9.050 4.501 1.00 0.00 H new ATOM 232 N LEU p 15 0.264 7.270 0.721 1.00 0.00 N ATOM 233 CA LEU p 15 0.351 6.789 -0.656 1.00 0.00 C ATOM 234 C LEU p 15 1.834 6.661 -0.973 1.00 0.00 C ATOM 235 O LEU p 15 2.249 5.912 -1.852 1.00 0.00 O ATOM 236 CB LEU p 15 -0.328 7.771 -1.635 1.00 0.00 C ATOM 237 CG LEU p 15 -0.371 7.400 -3.137 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.817 8.014 -3.857 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.392 5.896 -3.341 1.00 0.00 C ATOM 0 H LEU p 15 0.183 8.285 0.783 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.164 5.834 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.355 7.918 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.177 8.733 -1.545 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.293 7.802 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.779 7.748 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.784 9.099 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.742 7.636 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.422 5.674 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.505 5.457 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.274 5.476 -2.858 1.00 0.00 H new ATOM 251 N GLN p 16 2.588 7.462 -0.221 1.00 0.00 N ATOM 252 CA GLN p 16 4.014 7.539 -0.230 1.00 0.00 C ATOM 253 C GLN p 16 4.520 6.489 0.731 1.00 0.00 C ATOM 254 O GLN p 16 5.593 5.932 0.568 1.00 0.00 O ATOM 255 CB GLN p 16 4.381 8.908 0.274 1.00 0.00 C ATOM 256 CG GLN p 16 5.841 9.187 0.257 1.00 0.00 C ATOM 257 CD GLN p 16 6.233 10.318 -0.673 1.00 0.00 C ATOM 258 OE1 GLN p 16 6.519 10.099 -1.849 1.00 0.00 O ATOM 259 NE2 GLN p 16 6.247 11.538 -0.148 1.00 0.00 N ATOM 0 H GLN p 16 2.173 8.110 0.449 1.00 0.00 H new ATOM 0 HA GLN p 16 4.439 7.376 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.871 9.656 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN p 16 4.012 9.020 1.294 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.168 9.430 1.268 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.372 8.283 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN p 16 6.003 11.674 0.833 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.502 12.339 -0.726 1.00 0.00 H new ATOM 268 N ALA p 17 3.712 6.338 1.776 1.00 0.00 N ATOM 269 CA ALA p 17 3.897 5.336 2.830 1.00 0.00 C ATOM 270 C ALA p 17 3.320 4.022 2.337 1.00 0.00 C ATOM 271 O ALA p 17 3.592 2.963 2.893 1.00 0.00 O ATOM 272 CB ALA p 17 3.250 5.746 4.145 1.00 0.00 C ATOM 0 H ALA p 17 2.888 6.922 1.920 1.00 0.00 H new ATOM 0 HA ALA p 17 4.963 5.237 3.036 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.417 4.969 4.891 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.690 6.681 4.491 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.179 5.882 3.997 1.00 0.00 H new ATOM 278 N LEU p 18 2.481 4.149 1.290 1.00 0.00 N ATOM 279 CA LEU p 18 1.884 3.027 0.578 1.00 0.00 C ATOM 280 C LEU p 18 2.898 2.630 -0.470 1.00 0.00 C ATOM 281 O LEU p 18 3.039 1.470 -0.843 1.00 0.00 O ATOM 282 CB LEU p 18 0.600 3.479 -0.097 1.00 0.00 C ATOM 283 CG LEU p 18 -0.365 2.413 -0.594 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.665 3.098 -0.878 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.144 1.740 -1.856 1.00 0.00 C ATOM 0 H LEU p 18 2.201 5.056 0.917 1.00 0.00 H new ATOM 0 HA LEU p 18 1.642 2.200 1.245 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.061 4.115 0.605 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.873 4.103 -0.948 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.475 1.635 0.161 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.390 2.368 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -2.039 3.561 0.035 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.514 3.865 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.572 0.985 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.266 2.485 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU p 18 1.104 1.266 -1.653 1.00 0.00 H new ATOM 297 N GLU p 19 3.543 3.688 -0.963 1.00 0.00 N ATOM 298 CA GLU p 19 4.627 3.641 -1.899 1.00 0.00 C ATOM 299 C GLU p 19 5.844 3.095 -1.175 1.00 0.00 C ATOM 300 O GLU p 19 6.654 2.373 -1.733 1.00 0.00 O ATOM 301 CB GLU p 19 4.876 5.064 -2.326 1.00 0.00 C ATOM 302 CG GLU p 19 5.815 5.196 -3.465 1.00 0.00 C ATOM 303 CD GLU p 19 5.154 5.666 -4.744 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.691 4.808 -5.524 1.00 0.00 O ATOM 305 OE2 GLU p 19 5.098 6.894 -4.967 1.00 0.00 O ATOM 0 H GLU p 19 3.298 4.641 -0.696 1.00 0.00 H new ATOM 0 HA GLU p 19 4.412 3.011 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.925 5.523 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.269 5.624 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU p 19 6.604 5.897 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU p 19 6.292 4.233 -3.645 1.00 0.00 H new ATOM 312 N LYS p 20 5.941 3.553 0.071 1.00 0.00 N ATOM 313 CA LYS p 20 6.965 3.149 1.032 1.00 0.00 C ATOM 314 C LYS p 20 6.587 1.802 1.626 1.00 0.00 C ATOM 315 O LYS p 20 7.406 1.138 2.256 1.00 0.00 O ATOM 316 CB LYS p 20 7.107 4.189 2.139 1.00 0.00 C ATOM 317 CG LYS p 20 8.532 4.658 2.362 1.00 0.00 C ATOM 318 CD LYS p 20 8.966 4.461 3.805 1.00 0.00 C ATOM 319 CE LYS p 20 10.357 5.022 4.049 1.00 0.00 C ATOM 320 NZ LYS p 20 10.758 4.914 5.479 1.00 0.00 N ATOM 0 H LYS p 20 5.288 4.238 0.452 1.00 0.00 H new ATOM 0 HA LYS p 20 7.923 3.068 0.519 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.485 5.051 1.897 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.723 3.770 3.069 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.204 4.110 1.701 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.614 5.712 2.097 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.254 4.949 4.470 1.00 0.00 H new ATOM 0 HD3 LYS p 20 8.953 3.399 4.048 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.077 4.488 3.429 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.385 6.068 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 11.792 4.997 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.307 5.676 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 10.456 3.993 5.856 1.00 0.00 H new ATOM 334 N GLU p 21 5.305 1.451 1.433 1.00 0.00 N ATOM 335 CA GLU p 21 4.746 0.169 1.820 1.00 0.00 C ATOM 336 C GLU p 21 5.006 -0.731 0.629 1.00 0.00 C ATOM 337 O GLU p 21 5.222 -1.940 0.751 1.00 0.00 O ATOM 338 CB GLU p 21 3.251 0.308 2.136 1.00 0.00 C ATOM 339 CG GLU p 21 2.394 -0.900 1.798 1.00 0.00 C ATOM 340 CD GLU p 21 1.832 -1.588 3.028 1.00 0.00 C ATOM 341 OE1 GLU p 21 2.508 -2.491 3.563 1.00 0.00 O ATOM 342 OE2 GLU p 21 0.718 -1.221 3.456 1.00 0.00 O ATOM 0 H GLU p 21 4.624 2.071 0.994 1.00 0.00 H new ATOM 0 HA GLU p 21 5.193 -0.238 2.727 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.141 0.523 3.199 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.862 1.170 1.594 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.571 -0.587 1.155 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.989 -1.614 1.229 1.00 0.00 H new ATOM 349 N LEU p 22 4.969 -0.068 -0.535 1.00 0.00 N ATOM 350 CA LEU p 22 5.301 -0.686 -1.816 1.00 0.00 C ATOM 351 C LEU p 22 6.799 -0.849 -1.852 1.00 0.00 C ATOM 352 O LEU p 22 7.344 -1.870 -2.277 1.00 0.00 O ATOM 353 CB LEU p 22 4.885 0.234 -2.952 1.00 0.00 C ATOM 354 CG LEU p 22 3.851 -0.292 -3.924 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.492 -0.345 -3.259 1.00 0.00 C ATOM 356 CD2 LEU p 22 3.839 0.621 -5.124 1.00 0.00 C ATOM 0 H LEU p 22 4.707 0.915 -0.610 1.00 0.00 H new ATOM 0 HA LEU p 22 4.789 -1.642 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU p 22 4.501 1.156 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.778 0.497 -3.518 1.00 0.00 H new ATOM 0 HG LEU p 22 4.097 -1.306 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU p 22 1.755 -0.725 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.536 -1.005 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU p 22 2.205 0.656 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.101 0.266 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU p 22 3.582 1.632 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.825 0.625 -5.588 1.00 0.00 H new ATOM 368 N ALA p 23 7.432 0.220 -1.374 1.00 0.00 N ATOM 369 CA ALA p 23 8.893 0.298 -1.248 1.00 0.00 C ATOM 370 C ALA p 23 9.375 -0.521 -0.052 1.00 0.00 C ATOM 371 O ALA p 23 10.565 -0.772 0.082 1.00 0.00 O ATOM 372 CB ALA p 23 9.382 1.738 -1.136 1.00 0.00 C ATOM 0 H ALA p 23 6.948 1.062 -1.061 1.00 0.00 H new ATOM 0 HA ALA p 23 9.317 -0.122 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.468 1.747 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA p 23 9.088 2.292 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.940 2.205 -0.256 1.00 0.00 H new ATOM 378 N GLN p 24 8.416 -0.927 0.804 1.00 0.00 N ATOM 379 CA GLN p 24 8.653 -1.739 1.980 1.00 0.00 C ATOM 380 C GLN p 24 8.907 -3.190 1.566 1.00 0.00 C ATOM 381 O GLN p 24 9.616 -3.925 2.238 1.00 0.00 O ATOM 382 CB GLN p 24 7.417 -1.638 2.872 1.00 0.00 C ATOM 383 CG GLN p 24 7.328 -2.695 3.935 1.00 0.00 C ATOM 384 CD GLN p 24 7.101 -2.131 5.324 1.00 0.00 C ATOM 385 OE1 GLN p 24 5.962 -1.947 5.754 1.00 0.00 O ATOM 386 NE2 GLN p 24 8.188 -1.852 6.035 1.00 0.00 N ATOM 0 H GLN p 24 7.433 -0.684 0.679 1.00 0.00 H new ATOM 0 HA GLN p 24 9.531 -1.389 2.523 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.409 -0.658 3.350 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.527 -1.695 2.246 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.515 -3.379 3.691 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.248 -3.280 3.934 1.00 0.00 H new ATOM 0 HE21 GLN p 24 9.113 -2.020 5.640 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.097 -1.470 6.976 1.00 0.00 H new ATOM 395 N LEU p 25 8.321 -3.533 0.422 1.00 0.00 N ATOM 396 CA LEU p 25 8.397 -4.850 -0.206 1.00 0.00 C ATOM 397 C LEU p 25 9.726 -4.966 -0.888 1.00 0.00 C ATOM 398 O LEU p 25 10.349 -6.007 -0.904 1.00 0.00 O ATOM 399 CB LEU p 25 7.261 -4.999 -1.242 1.00 0.00 C ATOM 400 CG LEU p 25 6.141 -5.977 -0.882 1.00 0.00 C ATOM 401 CD1 LEU p 25 6.720 -7.363 -0.686 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.399 -5.501 0.359 1.00 0.00 C ATOM 0 H LEU p 25 7.757 -2.874 -0.115 1.00 0.00 H new ATOM 0 HA LEU p 25 8.290 -5.634 0.544 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.818 -4.017 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.700 -5.315 -2.188 1.00 0.00 H new ATOM 0 HG LEU p 25 5.420 -6.020 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.921 -8.058 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU p 25 7.203 -7.689 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU p 25 7.453 -7.340 0.120 1.00 0.00 H new ATOM 0 HD21 LEU p 25 4.605 -6.208 0.602 1.00 0.00 H new ATOM 0 HD22 LEU p 25 6.094 -5.435 1.196 1.00 0.00 H new ATOM 0 HD23 LEU p 25 4.965 -4.519 0.169 1.00 0.00 H new ATOM 414 N GLU p 26 10.081 -3.830 -1.455 1.00 0.00 N ATOM 415 CA GLU p 26 11.339 -3.555 -2.123 1.00 0.00 C ATOM 416 C GLU p 26 12.361 -3.286 -1.043 1.00 0.00 C ATOM 417 O GLU p 26 13.560 -3.298 -1.253 1.00 0.00 O ATOM 418 CB GLU p 26 11.184 -2.343 -3.030 1.00 0.00 C ATOM 419 CG GLU p 26 9.908 -2.372 -3.848 1.00 0.00 C ATOM 420 CD GLU p 26 10.141 -2.096 -5.320 1.00 0.00 C ATOM 421 OE1 GLU p 26 10.377 -3.062 -6.076 1.00 0.00 O ATOM 422 OE2 GLU p 26 10.087 -0.913 -5.718 1.00 0.00 O ATOM 0 H GLU p 26 9.459 -3.022 -1.462 1.00 0.00 H new ATOM 0 HA GLU p 26 11.652 -4.395 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.199 -1.438 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU p 26 12.039 -2.289 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.434 -3.348 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.212 -1.633 -3.451 1.00 0.00 H new ATOM 429 N LYS p 27 11.821 -2.950 0.115 1.00 0.00 N ATOM 430 CA LYS p 27 12.634 -2.795 1.329 1.00 0.00 C ATOM 431 C LYS p 27 12.890 -4.193 1.855 1.00 0.00 C ATOM 432 O LYS p 27 13.861 -4.453 2.569 1.00 0.00 O ATOM 433 CB LYS p 27 11.970 -1.952 2.414 1.00 0.00 C ATOM 434 CG LYS p 27 12.328 -0.475 2.354 1.00 0.00 C ATOM 435 CD LYS p 27 11.980 0.234 3.653 1.00 0.00 C ATOM 436 CE LYS p 27 12.386 1.698 3.613 1.00 0.00 C ATOM 437 NZ LYS p 27 12.080 2.394 4.893 1.00 0.00 N ATOM 0 H LYS p 27 10.825 -2.777 0.250 1.00 0.00 H new ATOM 0 HA LYS p 27 13.550 -2.264 1.070 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.888 -2.057 2.331 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.254 -2.345 3.390 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.394 -0.365 2.152 1.00 0.00 H new ATOM 0 HG3 LYS p 27 11.797 -0.004 1.527 1.00 0.00 H new ATOM 0 HD2 LYS p 27 10.908 0.157 3.835 1.00 0.00 H new ATOM 0 HD3 LYS p 27 12.481 -0.261 4.485 1.00 0.00 H new ATOM 0 HE2 LYS p 27 13.453 1.773 3.405 1.00 0.00 H new ATOM 0 HE3 LYS p 27 11.866 2.197 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 12.535 3.329 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 11.051 2.509 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 12.441 1.831 5.689 1.00 0.00 H new ATOM 451 N GLU p 28 11.956 -5.083 1.493 1.00 0.00 N ATOM 452 CA GLU p 28 12.070 -6.511 1.824 1.00 0.00 C ATOM 453 C GLU p 28 12.742 -7.227 0.672 1.00 0.00 C ATOM 454 O GLU p 28 13.542 -8.148 0.858 1.00 0.00 O ATOM 455 CB GLU p 28 10.703 -7.165 2.055 1.00 0.00 C ATOM 456 CG GLU p 28 9.843 -6.446 3.058 1.00 0.00 C ATOM 457 CD GLU p 28 9.564 -7.266 4.302 1.00 0.00 C ATOM 458 OE1 GLU p 28 8.555 -8.001 4.315 1.00 0.00 O ATOM 459 OE2 GLU p 28 10.355 -7.172 5.265 1.00 0.00 O ATOM 0 H GLU p 28 11.114 -4.840 0.971 1.00 0.00 H new ATOM 0 HA GLU p 28 12.649 -6.590 2.744 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.171 -7.216 1.105 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.854 -8.191 2.391 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.333 -5.516 3.346 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.897 -6.176 2.589 1.00 0.00 H new ATOM 466 N LEU p 29 12.378 -6.772 -0.519 1.00 0.00 N ATOM 467 CA LEU p 29 12.879 -7.319 -1.773 1.00 0.00 C ATOM 468 C LEU p 29 14.223 -6.748 -2.202 1.00 0.00 C ATOM 469 O LEU p 29 15.179 -7.496 -2.428 1.00 0.00 O ATOM 470 CB LEU p 29 11.868 -7.046 -2.885 1.00 0.00 C ATOM 471 CG LEU p 29 11.455 -8.228 -3.745 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.410 -7.756 -4.727 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.655 -8.806 -4.473 1.00 0.00 C ATOM 0 H LEU p 29 11.719 -6.004 -0.643 1.00 0.00 H new ATOM 0 HA LEU p 29 13.020 -8.386 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.970 -6.627 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.282 -6.279 -3.539 1.00 0.00 H new ATOM 0 HG LEU p 29 11.043 -9.018 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU p 29 10.099 -8.590 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.548 -7.370 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.828 -6.967 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.338 -9.652 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU p 29 13.095 -8.041 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.395 -9.141 -3.746 1.00 0.00 H new ATOM 791 N GLN p 51 1.074 -15.959 -5.205 1.00 0.00 N ATOM 792 CA GLN p 51 -0.355 -15.658 -5.048 1.00 0.00 C ATOM 793 C GLN p 51 -0.629 -14.882 -3.750 1.00 0.00 C ATOM 794 O GLN p 51 -1.763 -14.470 -3.489 1.00 0.00 O ATOM 795 CB GLN p 51 -1.181 -16.949 -5.086 1.00 0.00 C ATOM 796 CG GLN p 51 -1.396 -17.493 -6.490 1.00 0.00 C ATOM 797 CD GLN p 51 -2.220 -18.766 -6.502 1.00 0.00 C ATOM 798 OE1 GLN p 51 -3.446 -18.725 -6.593 1.00 0.00 O ATOM 799 NE2 GLN p 51 -1.546 -19.907 -6.410 1.00 0.00 N ATOM 0 HA GLN p 51 -0.654 -15.024 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN p 51 -0.681 -17.708 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -2.151 -16.764 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN p 51 -1.894 -16.736 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN p 51 -0.428 -17.686 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -0.529 -19.894 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -2.046 -20.796 -6.413 1.00 0.00 H new ATOM 808 N ALA p 52 0.408 -14.739 -2.920 1.00 0.00 N ATOM 809 CA ALA p 52 0.301 -14.032 -1.644 1.00 0.00 C ATOM 810 C ALA p 52 0.973 -12.653 -1.659 1.00 0.00 C ATOM 811 O ALA p 52 0.689 -11.821 -0.803 1.00 0.00 O ATOM 812 CB ALA p 52 0.907 -14.890 -0.546 1.00 0.00 C ATOM 0 H ALA p 52 1.339 -15.108 -3.113 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.759 -13.858 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.830 -14.368 0.408 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.370 -15.837 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.956 -15.082 -0.771 1.00 0.00 H new ATOM 818 N LEU p 53 1.897 -12.447 -2.590 1.00 0.00 N ATOM 819 CA LEU p 53 2.637 -11.205 -2.712 1.00 0.00 C ATOM 820 C LEU p 53 2.039 -10.282 -3.770 1.00 0.00 C ATOM 821 O LEU p 53 1.433 -9.258 -3.455 1.00 0.00 O ATOM 822 CB LEU p 53 4.091 -11.556 -3.031 1.00 0.00 C ATOM 823 CG LEU p 53 5.137 -10.503 -2.713 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.436 -11.204 -2.399 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.307 -9.563 -3.895 1.00 0.00 C ATOM 0 H LEU p 53 2.153 -13.147 -3.286 1.00 0.00 H new ATOM 0 HA LEU p 53 2.581 -10.653 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.348 -12.465 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.158 -11.791 -4.093 1.00 0.00 H new ATOM 0 HG LEU p 53 4.825 -9.908 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.202 -10.464 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.296 -11.862 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.749 -11.793 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU p 53 6.060 -8.811 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.626 -10.131 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.358 -9.071 -4.108 1.00 0.00 H new ATOM 837 N LYS p 54 2.198 -10.699 -5.027 1.00 0.00 N ATOM 838 CA LYS p 54 1.712 -9.955 -6.207 1.00 0.00 C ATOM 839 C LYS p 54 0.186 -9.878 -6.250 1.00 0.00 C ATOM 840 O LYS p 54 -0.380 -9.085 -6.999 1.00 0.00 O ATOM 841 CB LYS p 54 2.230 -10.604 -7.495 1.00 0.00 C ATOM 842 CG LYS p 54 3.713 -10.368 -7.751 1.00 0.00 C ATOM 843 CD LYS p 54 4.165 -11.023 -9.048 1.00 0.00 C ATOM 844 CE LYS p 54 5.642 -10.773 -9.324 1.00 0.00 C ATOM 845 NZ LYS p 54 6.525 -11.567 -8.423 1.00 0.00 N ATOM 0 H LYS p 54 2.672 -11.571 -5.265 1.00 0.00 H new ATOM 0 HA LYS p 54 2.096 -8.938 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.045 -11.677 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.659 -10.218 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS p 54 3.910 -9.297 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.295 -10.765 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS p 54 3.982 -12.096 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.570 -10.638 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.864 -11.024 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS p 54 5.859 -9.712 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.520 -11.365 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.333 -11.310 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.338 -12.581 -8.559 1.00 0.00 H new ATOM 859 N LYS p 55 -0.448 -10.720 -5.437 1.00 0.00 N ATOM 860 CA LYS p 55 -1.881 -10.803 -5.315 1.00 0.00 C ATOM 861 C LYS p 55 -2.356 -9.966 -4.148 1.00 0.00 C ATOM 862 O LYS p 55 -3.412 -9.349 -4.226 1.00 0.00 O ATOM 863 CB LYS p 55 -2.315 -12.249 -5.157 1.00 0.00 C ATOM 864 CG LYS p 55 -2.646 -12.930 -6.474 1.00 0.00 C ATOM 865 CD LYS p 55 -3.522 -14.155 -6.266 1.00 0.00 C ATOM 866 CE LYS p 55 -3.932 -14.777 -7.590 1.00 0.00 C ATOM 867 NZ LYS p 55 -4.735 -16.016 -7.397 1.00 0.00 N ATOM 0 H LYS p 55 0.045 -11.377 -4.833 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.335 -10.410 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.521 -12.806 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -3.189 -12.289 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -3.155 -12.225 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.723 -13.223 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.984 -14.891 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -4.412 -13.876 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -4.511 -14.055 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.041 -15.009 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -5.219 -16.258 -8.285 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -4.107 -16.797 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -5.441 -15.859 -6.650 1.00 0.00 H new ATOM 881 N LYS p 56 -1.568 -9.965 -3.057 1.00 0.00 N ATOM 882 CA LYS p 56 -1.891 -9.130 -1.873 1.00 0.00 C ATOM 883 C LYS p 56 -1.557 -7.663 -2.177 1.00 0.00 C ATOM 884 O LYS p 56 -1.935 -6.741 -1.452 1.00 0.00 O ATOM 885 CB LYS p 56 -1.138 -9.595 -0.632 1.00 0.00 C ATOM 886 CG LYS p 56 -1.873 -10.672 0.149 1.00 0.00 C ATOM 887 CD LYS p 56 -1.185 -10.970 1.472 1.00 0.00 C ATOM 888 CE LYS p 56 -1.921 -12.046 2.253 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.258 -12.343 3.552 1.00 0.00 N ATOM 0 H LYS p 56 -0.717 -10.520 -2.965 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.956 -9.231 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.161 -9.975 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.962 -8.739 0.020 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.898 -10.352 0.335 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.927 -11.583 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.160 -11.291 1.286 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -1.131 -10.059 2.068 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.947 -11.725 2.434 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.973 -12.956 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -1.791 -13.082 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.287 -12.674 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -1.231 -11.481 4.133 1.00 0.00 H new ATOM 903 N LEU p 57 -0.829 -7.516 -3.282 1.00 0.00 N ATOM 904 CA LEU p 57 -0.393 -6.257 -3.854 1.00 0.00 C ATOM 905 C LEU p 57 -1.423 -5.865 -4.874 1.00 0.00 C ATOM 906 O LEU p 57 -1.818 -4.709 -4.983 1.00 0.00 O ATOM 907 CB LEU p 57 0.953 -6.442 -4.545 1.00 0.00 C ATOM 908 CG LEU p 57 2.192 -5.932 -3.816 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.398 -6.650 -2.488 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.379 -6.137 -4.725 1.00 0.00 C ATOM 0 H LEU p 57 -0.514 -8.319 -3.827 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.285 -5.495 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.089 -7.506 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.905 -5.946 -5.515 1.00 0.00 H new ATOM 0 HG LEU p 57 2.069 -4.875 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.290 -6.260 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.531 -6.486 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.520 -7.718 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.282 -5.781 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.484 -7.198 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.229 -5.581 -5.650 1.00 0.00 H new ATOM 922 N ALA p 58 -1.819 -6.888 -5.646 1.00 0.00 N ATOM 923 CA ALA p 58 -2.882 -6.739 -6.663 1.00 0.00 C ATOM 924 C ALA p 58 -4.242 -6.537 -5.985 1.00 0.00 C ATOM 925 O ALA p 58 -5.210 -6.125 -6.623 1.00 0.00 O ATOM 926 CB ALA p 58 -2.936 -7.937 -7.599 1.00 0.00 C ATOM 0 H ALA p 58 -1.423 -7.826 -5.589 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.645 -5.859 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.729 -7.791 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.981 -8.040 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.137 -8.840 -7.023 1.00 0.00 H new ATOM 932 N GLN p 59 -4.275 -6.856 -4.684 1.00 0.00 N ATOM 933 CA GLN p 59 -5.427 -6.696 -3.828 1.00 0.00 C ATOM 934 C GLN p 59 -5.290 -5.354 -3.112 1.00 0.00 C ATOM 935 O GLN p 59 -6.270 -4.755 -2.690 1.00 0.00 O ATOM 936 CB GLN p 59 -5.448 -7.862 -2.837 1.00 0.00 C ATOM 937 CG GLN p 59 -6.257 -7.617 -1.587 1.00 0.00 C ATOM 938 CD GLN p 59 -7.315 -8.675 -1.343 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.451 -8.551 -1.801 1.00 0.00 O ATOM 940 NE2 GLN p 59 -6.946 -9.725 -0.619 1.00 0.00 N ATOM 0 H GLN p 59 -3.468 -7.244 -4.196 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.362 -6.702 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.844 -8.743 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.423 -8.094 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.586 -7.579 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.738 -6.641 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -5.994 -9.787 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.615 -10.470 -0.423 1.00 0.00 H new ATOM 949 N LEU p 60 -4.028 -4.935 -2.995 1.00 0.00 N ATOM 950 CA LEU p 60 -3.614 -3.669 -2.382 1.00 0.00 C ATOM 951 C LEU p 60 -3.873 -2.538 -3.372 1.00 0.00 C ATOM 952 O LEU p 60 -4.315 -1.457 -3.013 1.00 0.00 O ATOM 953 CB LEU p 60 -2.114 -3.770 -2.076 1.00 0.00 C ATOM 954 CG LEU p 60 -1.476 -2.691 -1.198 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.112 -3.182 -0.792 1.00 0.00 C ATOM 956 CD2 LEU p 60 -1.344 -1.373 -1.945 1.00 0.00 C ATOM 0 H LEU p 60 -3.239 -5.485 -3.335 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.169 -3.471 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.937 -4.734 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.581 -3.782 -3.027 1.00 0.00 H new ATOM 0 HG LEU p 60 -2.107 -2.511 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU p 60 0.372 -2.434 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.212 -4.114 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU p 60 0.493 -3.354 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -0.887 -0.629 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -0.719 -1.515 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -2.331 -1.029 -2.253 1.00 0.00 H new ATOM 968 N LYS p 61 -3.504 -2.847 -4.608 1.00 0.00 N ATOM 969 CA LYS p 61 -3.670 -2.019 -5.793 1.00 0.00 C ATOM 970 C LYS p 61 -5.143 -1.977 -6.141 1.00 0.00 C ATOM 971 O LYS p 61 -5.657 -0.985 -6.668 1.00 0.00 O ATOM 972 CB LYS p 61 -2.858 -2.613 -6.946 1.00 0.00 C ATOM 973 CG LYS p 61 -1.582 -1.850 -7.249 1.00 0.00 C ATOM 974 CD LYS p 61 -0.985 -2.267 -8.586 1.00 0.00 C ATOM 975 CE LYS p 61 0.287 -1.492 -8.903 1.00 0.00 C ATOM 976 NZ LYS p 61 1.439 -1.934 -8.067 1.00 0.00 N ATOM 0 H LYS p 61 -3.053 -3.737 -4.822 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.312 -1.006 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.605 -3.646 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.479 -2.636 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.791 -0.780 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.856 -2.024 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.766 -3.335 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.717 -2.104 -9.377 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.535 -1.620 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.112 -0.428 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 2.282 -1.379 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 1.215 -1.789 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 1.625 -2.943 -8.238 1.00 0.00 H new ATOM 990 N TRP p 62 -5.800 -3.100 -5.827 1.00 0.00 N ATOM 991 CA TRP p 62 -7.240 -3.249 -5.979 1.00 0.00 C ATOM 992 C TRP p 62 -7.871 -2.468 -4.852 1.00 0.00 C ATOM 993 O TRP p 62 -8.953 -1.894 -4.990 1.00 0.00 O ATOM 994 CB TRP p 62 -7.661 -4.713 -5.902 1.00 0.00 C ATOM 995 CG TRP p 62 -8.786 -5.062 -6.832 1.00 0.00 C ATOM 996 CD1 TRP p 62 -10.118 -5.080 -6.528 1.00 0.00 C ATOM 997 CD2 TRP p 62 -8.685 -5.443 -8.214 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.850 -5.447 -7.632 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.995 -5.676 -8.678 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -7.617 -5.610 -9.107 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -10.264 -6.064 -9.988 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -7.888 -5.996 -10.406 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -9.201 -6.220 -10.836 1.00 0.00 C ATOM 0 H TRP p 62 -5.339 -3.932 -5.459 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.559 -2.881 -6.954 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.801 -5.343 -6.132 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -7.961 -4.943 -4.880 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.535 -4.841 -5.561 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.866 -5.535 -7.667 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -6.600 -5.440 -8.785 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -11.276 -6.236 -10.323 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -7.072 -6.127 -11.102 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -9.379 -6.522 -11.858 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.141 -2.471 -3.726 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.528 -1.706 -2.538 1.00 0.00 C ATOM 1016 C LYS p 63 -7.081 -0.247 -2.682 1.00 0.00 C ATOM 1017 O LYS p 63 -7.517 0.612 -1.929 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.928 -2.313 -1.271 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.840 -3.316 -0.587 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.339 -3.668 0.805 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.248 -4.676 1.487 1.00 0.00 C ATOM 1022 NZ LYS p 63 -7.764 -5.029 2.849 1.00 0.00 N ATOM 0 H LYS p 63 -6.275 -2.999 -3.617 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.614 -1.743 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.987 -2.803 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.693 -1.512 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.847 -2.906 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.905 -4.221 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.330 -4.074 0.737 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.279 -2.764 1.410 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.256 -4.268 1.555 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.310 -5.578 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.412 -5.719 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -6.812 -5.443 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -7.729 -4.172 3.438 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.182 -0.013 -3.650 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.643 1.310 -3.988 1.00 0.00 C ATOM 1038 C LEU p 64 -6.517 1.957 -5.058 1.00 0.00 C ATOM 1039 O LEU p 64 -6.466 3.149 -5.295 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.178 1.134 -4.471 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.328 2.372 -4.871 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.299 2.517 -6.381 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.817 3.658 -4.231 1.00 0.00 C ATOM 0 H LEU p 64 -5.801 -0.758 -4.233 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.647 1.967 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.638 0.614 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.201 0.467 -5.333 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.319 2.198 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.701 3.387 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -2.860 1.623 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -4.315 2.645 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.183 4.486 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.845 3.849 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.774 3.564 -3.146 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.292 1.104 -5.676 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.248 1.415 -6.707 1.00 0.00 C ATOM 1057 C GLN p 65 -9.590 1.544 -6.008 1.00 0.00 C ATOM 1058 O GLN p 65 -10.533 2.133 -6.515 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.234 0.274 -7.734 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.534 0.078 -8.489 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.340 -0.020 -9.990 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.368 0.986 -10.699 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.143 -1.238 -10.483 1.00 0.00 N ATOM 0 H GLN p 65 -7.271 0.108 -5.458 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.026 2.338 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.438 0.463 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.986 -0.655 -7.220 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.022 -0.829 -8.132 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.204 0.909 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.127 -2.044 -9.859 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.007 -1.367 -11.486 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.603 0.931 -4.823 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.743 0.901 -3.916 1.00 0.00 C ATOM 1074 C ALA p 66 -10.587 2.019 -2.915 1.00 0.00 C ATOM 1075 O ALA p 66 -11.567 2.523 -2.371 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.859 -0.439 -3.205 1.00 0.00 C ATOM 0 H ALA p 66 -8.794 0.427 -4.460 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.659 1.036 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.720 -0.423 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.985 -1.232 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.954 -0.623 -2.626 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.314 2.381 -2.687 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.945 3.471 -1.816 1.00 0.00 C ATOM 1084 C LEU p 67 -8.966 4.720 -2.668 1.00 0.00 C ATOM 1085 O LEU p 67 -9.366 5.782 -2.219 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.567 3.216 -1.171 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.429 4.188 -1.514 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.624 5.528 -0.835 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.110 3.582 -1.127 1.00 0.00 C ATOM 0 H LEU p 67 -8.516 1.911 -3.114 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.639 3.576 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.697 3.220 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.246 2.212 -1.450 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.438 4.364 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.801 6.193 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.566 5.968 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.646 5.388 0.246 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.305 4.275 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -5.102 3.381 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -4.964 2.649 -1.672 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.453 4.555 -3.891 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.479 5.613 -4.907 1.00 0.00 C ATOM 1103 C LYS p 68 -9.914 5.838 -5.339 1.00 0.00 C ATOM 1104 O LYS p 68 -10.274 6.932 -5.760 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.609 5.307 -6.125 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.258 6.003 -6.095 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.582 5.971 -7.456 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.240 6.685 -7.429 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.578 6.675 -8.762 1.00 0.00 N ATOM 0 H LYS p 68 -8.011 3.691 -4.204 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.061 6.512 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.453 4.230 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.143 5.606 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.388 7.037 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.616 5.521 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.439 4.936 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.230 6.440 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.384 7.715 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.589 6.207 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.666 7.172 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.417 5.692 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.187 7.154 -9.456 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.718 4.759 -5.249 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.157 4.840 -5.512 1.00 0.00 C ATOM 1125 C LYS p 69 -12.825 5.366 -4.251 1.00 0.00 C ATOM 1126 O LYS p 69 -13.960 5.841 -4.275 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.742 3.484 -5.884 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.179 3.369 -7.338 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.655 3.695 -7.513 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.087 3.565 -8.964 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.536 3.861 -9.141 1.00 0.00 N ATOM 0 H LYS p 69 -10.390 3.827 -4.996 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.333 5.504 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.001 2.712 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.599 3.282 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.583 4.045 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.985 2.358 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.252 3.026 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -14.848 4.710 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.500 4.246 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -14.877 2.555 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -16.791 3.761 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.098 3.195 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.732 4.834 -8.829 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.068 5.245 -3.148 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.454 5.740 -1.837 1.00 0.00 C ATOM 1147 C LYS p 70 -11.929 7.158 -1.704 1.00 0.00 C ATOM 1148 O LYS p 70 -12.424 7.949 -0.906 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.880 4.868 -0.733 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.906 3.995 -0.026 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.436 4.657 1.238 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.445 3.771 1.949 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.956 4.403 3.197 1.00 0.00 N ATOM 0 H LYS p 70 -11.155 4.790 -3.154 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.540 5.718 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.106 4.228 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.395 5.508 0.004 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.735 3.788 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.454 3.036 0.228 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.606 4.877 1.910 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.902 5.609 0.984 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -15.280 3.562 1.280 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.982 2.814 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -15.642 3.767 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -14.163 4.580 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.421 5.304 2.965 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.876 7.421 -2.493 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.243 8.737 -2.605 1.00 0.00 C ATOM 1169 C ASN p 71 -10.977 9.512 -3.695 1.00 0.00 C ATOM 1170 O ASN p 71 -10.833 10.723 -3.827 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.755 8.622 -2.949 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.944 9.795 -2.428 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.445 9.768 -1.303 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.811 10.834 -3.245 1.00 0.00 N ATOM 0 H ASN p 71 -10.436 6.712 -3.079 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.308 9.254 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.359 7.697 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.640 8.557 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.278 11.652 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.241 10.814 -4.170 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.742 8.736 -4.481 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.608 9.218 -5.548 1.00 0.00 C ATOM 1183 C ALA p 72 -13.969 9.408 -4.928 1.00 0.00 C ATOM 1184 O ALA p 72 -14.813 10.140 -5.435 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.685 8.236 -6.710 1.00 0.00 C ATOM 0 H ALA p 72 -11.769 7.721 -4.380 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.216 10.146 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.342 8.637 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.688 8.084 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.080 7.284 -6.356 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.138 8.681 -3.807 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.288 8.716 -2.963 1.00 0.00 C ATOM 1193 C GLN p 73 -15.089 9.879 -2.018 1.00 0.00 C ATOM 1194 O GLN p 73 -16.025 10.546 -1.599 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.300 7.421 -2.197 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.482 7.252 -1.311 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.385 6.103 -1.720 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.207 4.970 -1.274 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.361 6.392 -2.573 1.00 0.00 N ATOM 0 H GLN p 73 -13.427 8.031 -3.473 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.224 8.833 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.268 6.592 -2.904 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.395 7.360 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -16.140 7.089 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -17.060 8.176 -1.310 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.472 7.346 -2.917 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -19.000 5.660 -2.884 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.812 10.024 -1.672 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.299 11.102 -0.839 1.00 0.00 C ATOM 1210 C LEU p 74 -13.223 12.354 -1.688 1.00 0.00 C ATOM 1211 O LEU p 74 -13.374 13.447 -1.202 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.917 10.745 -0.299 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.444 11.494 0.950 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -12.120 10.969 2.214 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.943 11.353 1.053 1.00 0.00 C ATOM 0 H LEU p 74 -13.086 9.374 -1.974 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.959 11.264 0.013 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.905 9.678 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.189 10.915 -1.092 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.718 12.545 0.859 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.758 11.526 3.078 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -13.199 11.094 2.128 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.886 9.912 2.339 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.588 11.881 1.938 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.681 10.298 1.131 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.476 11.778 0.165 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.012 12.138 -2.985 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.971 13.203 -3.983 1.00 0.00 C ATOM 1229 C LYS p 75 -14.403 13.488 -4.358 1.00 0.00 C ATOM 1230 O LYS p 75 -14.743 14.546 -4.895 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.179 12.776 -5.210 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.969 13.646 -5.511 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.184 14.493 -6.755 1.00 0.00 C ATOM 1234 CE LYS p 75 -9.969 15.355 -7.058 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.163 16.179 -8.284 1.00 0.00 N ATOM 0 H LYS p 75 -12.863 11.208 -3.376 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.478 14.088 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.846 11.747 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.841 12.784 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.766 14.295 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.091 13.015 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.393 13.845 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.058 15.130 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.767 16.009 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.094 14.717 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.312 16.752 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -10.330 15.555 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.982 16.806 -8.155 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.230 12.482 -4.048 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.672 12.558 -4.240 1.00 0.00 C ATOM 1251 C LYS p 76 -17.264 13.164 -2.991 1.00 0.00 C ATOM 1252 O LYS p 76 -18.285 13.855 -3.032 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.269 11.180 -4.494 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.731 10.952 -5.926 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.228 11.180 -6.074 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.696 10.914 -7.496 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.175 11.027 -7.623 1.00 0.00 N ATOM 0 H LYS p 76 -14.912 11.595 -3.657 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.899 13.170 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.527 10.423 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.116 11.035 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.192 11.624 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.485 9.935 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.766 10.528 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.470 12.206 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.218 11.621 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.380 9.916 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.454 10.839 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.631 10.335 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.474 11.987 -7.356 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.587 12.880 -1.871 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.964 13.432 -0.579 1.00 0.00 C ATOM 1273 C LYS p 77 -16.295 14.787 -0.380 1.00 0.00 C ATOM 1274 O LYS p 77 -16.720 15.581 0.464 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.579 12.478 0.547 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.747 11.692 1.129 1.00 0.00 C ATOM 1277 CD LYS p 77 -18.395 12.420 2.299 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.553 11.625 2.877 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.188 12.325 4.029 1.00 0.00 N ATOM 0 H LYS p 77 -15.772 12.267 -1.842 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.046 13.564 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.834 11.776 0.174 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.107 13.049 1.346 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.491 11.519 0.352 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.398 10.714 1.459 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.651 12.598 3.075 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.751 13.396 1.969 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -20.299 11.453 2.101 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.197 10.646 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -20.973 11.750 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -19.483 12.466 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.551 13.248 3.717 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.239 15.037 -1.177 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.502 16.308 -1.136 1.00 0.00 C ATOM 1295 C LEU p 78 -15.401 17.478 -1.553 1.00 0.00 C ATOM 1296 O LEU p 78 -15.627 18.416 -0.783 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.282 16.180 -2.070 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.290 17.344 -2.124 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.951 16.816 -2.584 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -12.770 18.421 -3.084 1.00 0.00 C ATOM 0 H LEU p 78 -14.878 14.370 -1.859 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.169 16.515 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.731 15.286 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.652 16.011 -3.081 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.204 17.787 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.233 17.635 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -10.598 16.060 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.056 16.372 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -12.048 19.238 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -12.870 17.999 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -13.737 18.800 -2.752 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.895 17.385 -2.779 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.782 18.382 -3.368 1.00 0.00 C ATOM 1314 C GLN p 79 -18.248 18.112 -3.028 1.00 0.00 C ATOM 1315 O GLN p 79 -19.000 19.030 -2.689 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.587 18.429 -4.894 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.348 17.077 -5.568 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.184 17.196 -7.070 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.073 17.367 -7.573 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.293 17.108 -7.796 1.00 0.00 N ATOM 0 H GLN p 79 -15.689 16.605 -3.403 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.520 19.350 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.468 18.888 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.741 19.080 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.456 16.616 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.184 16.413 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.193 16.966 -7.337 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -17.245 17.182 -8.812 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.627 16.833 -3.120 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.998 16.342 -2.838 1.00 0.00 C ATOM 1331 C ALA p 80 -21.044 16.970 -3.770 1.00 0.00 C ATOM 1332 O ALA p 80 -21.280 18.194 -3.668 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.380 16.557 -1.369 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.616 16.227 -4.594 1.00 0.00 O ATOM 0 H ALA p 80 -17.985 16.090 -3.397 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.990 15.270 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.390 16.186 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.682 16.018 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.340 17.621 -1.134 1.00 0.00 H new