USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=4 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 70 LYS NZ :NH3+ -156:sc= -0.166 (180deg=0) USER MOD Set 1.2: p 73 GLN : amide:sc= -0.159 X(o=-0.33,f=0.0042) USER MOD Set 2.1: p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: p 27 LYS NZ :NH3+ 180:sc= 0 (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 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0021) USER MOD Single : p 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00339) 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= 0.281 X(o=0.28,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000575) USER MOD Single : p 71 ASN : 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 -5.692 21.326 6.220 1.00 0.00 N ATOM 38 CA ALA p 3 -6.314 20.383 7.148 1.00 0.00 C ATOM 39 C ALA p 3 -6.792 19.123 6.450 1.00 0.00 C ATOM 40 O ALA p 3 -6.643 18.022 6.968 1.00 0.00 O ATOM 41 CB ALA p 3 -7.461 21.054 7.894 1.00 0.00 C ATOM 0 HA ALA p 3 -5.552 20.080 7.866 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.915 20.340 8.581 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.080 21.907 8.456 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.210 21.396 7.179 1.00 0.00 H new ATOM 47 N LEU p 4 -7.419 19.336 5.303 1.00 0.00 N ATOM 48 CA LEU p 4 -7.980 18.294 4.473 1.00 0.00 C ATOM 49 C LEU p 4 -7.003 17.914 3.372 1.00 0.00 C ATOM 50 O LEU p 4 -6.650 16.753 3.203 1.00 0.00 O ATOM 51 CB LEU p 4 -9.343 18.763 3.899 1.00 0.00 C ATOM 52 CG LEU p 4 -10.218 17.703 3.188 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.864 17.620 1.712 1.00 0.00 C ATOM 54 CD2 LEU p 4 -10.071 16.339 3.842 1.00 0.00 C ATOM 0 H LEU p 4 -7.553 20.270 4.917 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.156 17.401 5.073 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.925 19.187 4.717 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.151 19.571 3.192 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.259 18.014 3.282 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.490 16.869 1.229 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.032 18.589 1.242 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.816 17.342 1.604 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.698 15.616 3.320 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.030 16.021 3.790 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.380 16.401 4.885 1.00 0.00 H new ATOM 66 N GLU p 5 -6.592 18.949 2.641 1.00 0.00 N ATOM 67 CA GLU p 5 -5.664 18.850 1.498 1.00 0.00 C ATOM 68 C GLU p 5 -4.287 18.363 1.907 1.00 0.00 C ATOM 69 O GLU p 5 -3.611 17.696 1.130 1.00 0.00 O ATOM 70 CB GLU p 5 -5.513 20.202 0.792 1.00 0.00 C ATOM 71 CG GLU p 5 -6.773 21.052 0.800 1.00 0.00 C ATOM 72 CD GLU p 5 -7.205 21.483 -0.588 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.759 22.559 -1.042 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.988 20.744 -1.222 1.00 0.00 O ATOM 0 H GLU p 5 -6.898 19.905 2.825 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.103 18.119 0.819 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.708 20.761 1.269 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.212 20.028 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.581 20.490 1.268 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.604 21.937 1.413 1.00 0.00 H new ATOM 81 N LYS p 6 -3.892 18.723 3.123 1.00 0.00 N ATOM 82 CA LYS p 6 -2.598 18.316 3.677 1.00 0.00 C ATOM 83 C LYS p 6 -2.751 17.030 4.473 1.00 0.00 C ATOM 84 O LYS p 6 -1.766 16.421 4.874 1.00 0.00 O ATOM 85 CB LYS p 6 -1.970 19.407 4.531 1.00 0.00 C ATOM 86 CG LYS p 6 -1.085 20.362 3.741 1.00 0.00 C ATOM 87 CD LYS p 6 -0.206 21.198 4.657 1.00 0.00 C ATOM 88 CE LYS p 6 0.615 22.208 3.872 1.00 0.00 C ATOM 89 NZ LYS p 6 1.484 23.029 4.761 1.00 0.00 N ATOM 0 H LYS p 6 -4.451 19.300 3.751 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.922 18.140 2.840 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.761 19.977 5.019 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.378 18.944 5.320 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.458 19.794 3.054 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.708 21.019 3.135 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -0.829 21.720 5.384 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.461 20.544 5.220 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.233 21.685 3.143 1.00 0.00 H new ATOM 0 HE3 LYS p 6 -0.053 22.863 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.027 23.705 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.893 23.548 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.139 22.407 5.276 1.00 0.00 H new ATOM 103 N GLU p 7 -4.015 16.662 4.712 1.00 0.00 N ATOM 104 CA GLU p 7 -4.397 15.418 5.373 1.00 0.00 C ATOM 105 C GLU p 7 -4.547 14.376 4.267 1.00 0.00 C ATOM 106 O GLU p 7 -4.476 13.172 4.489 1.00 0.00 O ATOM 107 CB GLU p 7 -5.708 15.640 6.130 1.00 0.00 C ATOM 108 CG GLU p 7 -6.614 14.426 6.238 1.00 0.00 C ATOM 109 CD GLU p 7 -6.883 14.016 7.672 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.862 14.520 8.261 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.114 13.190 8.209 1.00 0.00 O ATOM 0 H GLU p 7 -4.815 17.236 4.444 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.658 15.082 6.100 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.472 15.986 7.136 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.260 16.441 5.638 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.561 14.641 5.743 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.159 13.591 5.706 1.00 0.00 H new ATOM 118 N LEU p 8 -4.764 14.939 3.081 1.00 0.00 N ATOM 119 CA LEU p 8 -4.906 14.259 1.819 1.00 0.00 C ATOM 120 C LEU p 8 -3.526 14.198 1.193 1.00 0.00 C ATOM 121 O LEU p 8 -3.228 13.317 0.396 1.00 0.00 O ATOM 122 CB LEU p 8 -5.895 15.054 0.938 1.00 0.00 C ATOM 123 CG LEU p 8 -5.519 15.254 -0.538 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.713 13.965 -1.297 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.330 16.378 -1.159 1.00 0.00 C ATOM 0 H LEU p 8 -4.849 15.951 2.982 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.299 13.249 1.933 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.860 14.549 0.975 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -6.032 16.037 1.388 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.468 15.537 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.444 14.115 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.078 13.190 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.757 13.657 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.044 16.499 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.391 16.137 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.137 17.306 -0.621 1.00 0.00 H new ATOM 137 N ALA p 9 -2.735 15.214 1.553 1.00 0.00 N ATOM 138 CA ALA p 9 -1.334 15.342 1.145 1.00 0.00 C ATOM 139 C ALA p 9 -0.501 14.532 2.121 1.00 0.00 C ATOM 140 O ALA p 9 0.638 14.150 1.841 1.00 0.00 O ATOM 141 CB ALA p 9 -0.857 16.786 1.106 1.00 0.00 C ATOM 0 H ALA p 9 -3.055 15.981 2.144 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.227 14.969 0.126 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.188 16.816 0.797 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.462 17.350 0.396 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.955 17.228 2.097 1.00 0.00 H new ATOM 147 N GLN p 10 -1.125 14.289 3.285 1.00 0.00 N ATOM 148 CA GLN p 10 -0.572 13.468 4.340 1.00 0.00 C ATOM 149 C GLN p 10 -1.045 12.055 4.066 1.00 0.00 C ATOM 150 O GLN p 10 -0.364 11.096 4.378 1.00 0.00 O ATOM 151 CB GLN p 10 -1.038 13.981 5.709 1.00 0.00 C ATOM 152 CG GLN p 10 -1.245 12.918 6.779 1.00 0.00 C ATOM 153 CD GLN p 10 -0.240 13.018 7.909 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.472 13.708 8.902 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.885 12.330 7.764 1.00 0.00 N ATOM 0 H GLN p 10 -2.044 14.671 3.510 1.00 0.00 H new ATOM 0 HA GLN p 10 0.517 13.502 4.360 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.305 14.700 6.075 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.975 14.521 5.574 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.252 13.010 7.186 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.174 11.931 6.322 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.036 11.771 6.924 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.599 12.360 8.492 1.00 0.00 H new ATOM 164 N ASN p 11 -2.234 11.997 3.444 1.00 0.00 N ATOM 165 CA ASN p 11 -2.880 10.754 3.005 1.00 0.00 C ATOM 166 C ASN p 11 -2.247 10.371 1.690 1.00 0.00 C ATOM 167 O ASN p 11 -2.326 9.226 1.248 1.00 0.00 O ATOM 168 CB ASN p 11 -4.391 10.914 2.829 1.00 0.00 C ATOM 169 CG ASN p 11 -5.149 9.633 3.123 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.559 9.387 4.258 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.337 8.807 2.100 1.00 0.00 N ATOM 0 H ASN p 11 -2.782 12.830 3.229 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.738 9.984 3.764 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.749 11.704 3.489 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.603 11.232 1.808 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.838 7.929 2.239 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -4.980 9.050 1.176 1.00 0.00 H new ATOM 178 N GLU p 12 -1.633 11.396 1.077 1.00 0.00 N ATOM 179 CA GLU p 12 -0.879 11.291 -0.123 1.00 0.00 C ATOM 180 C GLU p 12 0.488 10.819 0.302 1.00 0.00 C ATOM 181 O GLU p 12 1.162 10.086 -0.392 1.00 0.00 O ATOM 182 CB GLU p 12 -0.787 12.669 -0.721 1.00 0.00 C ATOM 183 CG GLU p 12 -0.036 12.726 -2.003 1.00 0.00 C ATOM 184 CD GLU p 12 -0.882 13.166 -3.181 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.484 12.292 -3.840 1.00 0.00 O ATOM 186 OE2 GLU p 12 -0.945 14.386 -3.445 1.00 0.00 O ATOM 0 H GLU p 12 -1.667 12.348 1.442 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.318 10.612 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.795 13.050 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.308 13.334 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.804 13.412 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.382 11.742 -2.214 1.00 0.00 H new ATOM 193 N TRP p 13 0.835 11.328 1.483 1.00 0.00 N ATOM 194 CA TRP p 13 2.070 11.013 2.203 1.00 0.00 C ATOM 195 C TRP p 13 1.906 9.659 2.880 1.00 0.00 C ATOM 196 O TRP p 13 2.886 9.035 3.268 1.00 0.00 O ATOM 197 CB TRP p 13 2.401 12.093 3.235 1.00 0.00 C ATOM 198 CG TRP p 13 3.870 12.212 3.532 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.765 13.031 2.904 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.616 11.493 4.529 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.018 12.866 3.444 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.952 11.929 4.442 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.286 10.524 5.486 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.955 11.432 5.271 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.284 10.033 6.308 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.603 10.487 6.196 1.00 0.00 C ATOM 0 H TRP p 13 0.245 11.993 1.983 1.00 0.00 H new ATOM 0 HA TRP p 13 2.899 10.977 1.496 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.033 13.053 2.874 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.868 11.875 4.161 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.523 13.710 2.100 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.860 13.361 3.150 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.271 10.167 5.580 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.974 11.780 5.187 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.041 9.286 7.049 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.359 10.083 6.853 1.00 0.00 H new ATOM 217 N GLU p 14 0.631 9.262 3.045 1.00 0.00 N ATOM 218 CA GLU p 14 0.262 7.933 3.575 1.00 0.00 C ATOM 219 C GLU p 14 0.122 7.046 2.380 1.00 0.00 C ATOM 220 O GLU p 14 0.077 5.826 2.473 1.00 0.00 O ATOM 221 CB GLU p 14 -1.047 7.927 4.356 1.00 0.00 C ATOM 222 CG GLU p 14 -1.053 8.940 5.459 1.00 0.00 C ATOM 223 CD GLU p 14 -1.632 8.417 6.758 1.00 0.00 C ATOM 224 OE1 GLU p 14 -2.860 8.540 6.952 1.00 0.00 O ATOM 225 OE2 GLU p 14 -0.859 7.886 7.583 1.00 0.00 O ATOM 0 H GLU p 14 -0.171 9.849 2.816 1.00 0.00 H new ATOM 0 HA GLU p 14 1.027 7.604 4.278 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.875 8.128 3.676 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.213 6.935 4.775 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.032 9.279 5.636 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.626 9.810 5.139 1.00 0.00 H new ATOM 232 N LEU p 15 -0.014 7.756 1.262 1.00 0.00 N ATOM 233 CA LEU p 15 -0.075 7.183 -0.077 1.00 0.00 C ATOM 234 C LEU p 15 1.365 7.071 -0.590 1.00 0.00 C ATOM 235 O LEU p 15 1.672 6.276 -1.475 1.00 0.00 O ATOM 236 CB LEU p 15 -0.934 8.057 -1.018 1.00 0.00 C ATOM 237 CG LEU p 15 -1.206 7.526 -2.441 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.177 8.085 -3.406 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.190 6.008 -2.471 1.00 0.00 C ATOM 0 H LEU p 15 -0.087 8.773 1.265 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.547 6.201 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.896 8.226 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.448 9.028 -1.110 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.199 7.856 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.375 7.706 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.236 9.173 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.821 7.778 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.385 5.662 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.214 5.648 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.960 5.623 -1.803 1.00 0.00 H new ATOM 251 N GLN p 16 2.207 7.925 0.000 1.00 0.00 N ATOM 252 CA GLN p 16 3.658 7.980 -0.246 1.00 0.00 C ATOM 253 C GLN p 16 4.270 7.038 0.741 1.00 0.00 C ATOM 254 O GLN p 16 5.358 6.513 0.553 1.00 0.00 O ATOM 255 CB GLN p 16 4.251 9.367 -0.021 1.00 0.00 C ATOM 256 CG GLN p 16 3.646 10.411 -0.913 1.00 0.00 C ATOM 257 CD GLN p 16 4.672 11.181 -1.721 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.022 10.791 -2.835 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.162 12.281 -1.161 1.00 0.00 N ATOM 0 H GLN p 16 1.893 8.617 0.681 1.00 0.00 H new ATOM 0 HA GLN p 16 3.858 7.722 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.104 9.655 1.020 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.327 9.329 -0.192 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.943 9.933 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.074 11.111 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.843 12.567 -0.235 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.857 12.839 -1.657 1.00 0.00 H new ATOM 268 N ALA p 17 3.520 6.921 1.834 1.00 0.00 N ATOM 269 CA ALA p 17 3.812 5.992 2.932 1.00 0.00 C ATOM 270 C ALA p 17 3.185 4.656 2.584 1.00 0.00 C ATOM 271 O ALA p 17 3.517 3.634 3.171 1.00 0.00 O ATOM 272 CB ALA p 17 3.311 6.483 4.283 1.00 0.00 C ATOM 0 H ALA p 17 2.678 7.476 1.988 1.00 0.00 H new ATOM 0 HA ALA p 17 4.894 5.906 3.036 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.559 5.750 5.051 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.785 7.435 4.523 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.230 6.616 4.244 1.00 0.00 H new ATOM 278 N LEU p 18 2.236 4.720 1.629 1.00 0.00 N ATOM 279 CA LEU p 18 1.575 3.552 1.064 1.00 0.00 C ATOM 280 C LEU p 18 2.429 3.122 -0.114 1.00 0.00 C ATOM 281 O LEU p 18 2.403 1.974 -0.551 1.00 0.00 O ATOM 282 CB LEU p 18 0.143 3.877 0.598 1.00 0.00 C ATOM 283 CG LEU p 18 -0.731 2.704 0.102 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.661 2.618 -1.410 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.294 1.388 0.726 1.00 0.00 C ATOM 0 H LEU p 18 1.911 5.601 1.231 1.00 0.00 H new ATOM 0 HA LEU p 18 1.481 2.763 1.811 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.379 4.358 1.425 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.210 4.610 -0.206 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.761 2.890 0.406 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.279 1.789 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -1.026 3.549 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.372 2.454 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.928 0.582 0.357 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.743 1.185 0.458 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.383 1.452 1.810 1.00 0.00 H new ATOM 297 N GLU p 19 3.158 4.123 -0.616 1.00 0.00 N ATOM 298 CA GLU p 19 4.108 4.005 -1.677 1.00 0.00 C ATOM 299 C GLU p 19 5.409 3.527 -1.066 1.00 0.00 C ATOM 300 O GLU p 19 6.175 2.786 -1.670 1.00 0.00 O ATOM 301 CB GLU p 19 4.286 5.385 -2.252 1.00 0.00 C ATOM 302 CG GLU p 19 5.138 5.428 -3.467 1.00 0.00 C ATOM 303 CD GLU p 19 4.383 5.820 -4.721 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.852 4.917 -5.400 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.324 7.030 -5.025 1.00 0.00 O ATOM 0 H GLU p 19 3.083 5.077 -0.262 1.00 0.00 H new ATOM 0 HA GLU p 19 3.790 3.310 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.306 5.796 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.724 6.031 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU p 19 5.951 6.136 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.593 4.449 -3.617 1.00 0.00 H new ATOM 312 N LYS p 20 5.634 4.065 0.129 1.00 0.00 N ATOM 313 CA LYS p 20 6.770 3.728 0.982 1.00 0.00 C ATOM 314 C LYS p 20 6.499 2.398 1.664 1.00 0.00 C ATOM 315 O LYS p 20 7.422 1.722 2.108 1.00 0.00 O ATOM 316 CB LYS p 20 7.017 4.821 2.018 1.00 0.00 C ATOM 317 CG LYS p 20 8.436 5.361 2.029 1.00 0.00 C ATOM 318 CD LYS p 20 9.223 4.851 3.226 1.00 0.00 C ATOM 319 CE LYS p 20 10.642 5.394 3.232 1.00 0.00 C ATOM 320 NZ LYS p 20 11.421 4.901 4.401 1.00 0.00 N ATOM 0 H LYS p 20 5.017 4.764 0.541 1.00 0.00 H new ATOM 0 HA LYS p 20 7.667 3.647 0.368 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.328 5.645 1.831 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.782 4.428 3.007 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.943 5.070 1.109 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.411 6.451 2.048 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.717 5.142 4.146 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.249 3.761 3.208 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.146 5.102 2.311 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.614 6.484 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.383 5.294 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.954 5.201 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.470 3.863 4.372 1.00 0.00 H new ATOM 334 N GLU p 21 5.199 2.051 1.721 1.00 0.00 N ATOM 335 CA GLU p 21 4.721 0.785 2.252 1.00 0.00 C ATOM 336 C GLU p 21 4.765 -0.167 1.084 1.00 0.00 C ATOM 337 O GLU p 21 4.956 -1.377 1.229 1.00 0.00 O ATOM 338 CB GLU p 21 3.310 0.946 2.832 1.00 0.00 C ATOM 339 CG GLU p 21 2.413 -0.274 2.723 1.00 0.00 C ATOM 340 CD GLU p 21 2.140 -0.928 4.063 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.156 -0.538 4.726 1.00 0.00 O ATOM 342 OE2 GLU p 21 2.911 -1.832 4.450 1.00 0.00 O ATOM 0 H GLU p 21 4.450 2.660 1.392 1.00 0.00 H new ATOM 0 HA GLU p 21 5.329 0.412 3.076 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.398 1.217 3.884 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.822 1.780 2.327 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.467 0.017 2.267 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.877 -1.002 2.057 1.00 0.00 H new ATOM 349 N LEU p 22 4.570 0.446 -0.088 1.00 0.00 N ATOM 350 CA LEU p 22 4.696 -0.230 -1.354 1.00 0.00 C ATOM 351 C LEU p 22 6.186 -0.445 -1.550 1.00 0.00 C ATOM 352 O LEU p 22 6.632 -1.500 -1.992 1.00 0.00 O ATOM 353 CB LEU p 22 4.137 0.666 -2.459 1.00 0.00 C ATOM 354 CG LEU p 22 3.756 0.026 -3.795 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.240 1.123 -4.693 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.940 -0.668 -4.452 1.00 0.00 C ATOM 0 H LEU p 22 4.319 1.431 -0.170 1.00 0.00 H new ATOM 0 HA LEU p 22 4.151 -1.173 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.251 1.164 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.875 1.442 -2.662 1.00 0.00 H new ATOM 0 HG LEU p 22 2.997 -0.738 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.958 0.701 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.369 1.590 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.019 1.871 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.625 -1.108 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.731 0.059 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.313 -1.452 -3.793 1.00 0.00 H new ATOM 368 N ALA p 23 6.928 0.602 -1.160 1.00 0.00 N ATOM 369 CA ALA p 23 8.398 0.608 -1.207 1.00 0.00 C ATOM 370 C ALA p 23 8.972 -0.303 -0.131 1.00 0.00 C ATOM 371 O ALA p 23 10.121 -0.713 -0.222 1.00 0.00 O ATOM 372 CB ALA p 23 8.966 2.011 -1.068 1.00 0.00 C ATOM 0 H ALA p 23 6.526 1.469 -0.803 1.00 0.00 H new ATOM 0 HA ALA p 23 8.691 0.230 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.054 1.968 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.597 2.635 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.654 2.437 -0.114 1.00 0.00 H new ATOM 378 N GLN p 24 8.143 -0.605 0.885 1.00 0.00 N ATOM 379 CA GLN p 24 8.495 -1.516 1.980 1.00 0.00 C ATOM 380 C GLN p 24 8.559 -2.906 1.427 1.00 0.00 C ATOM 381 O GLN p 24 9.450 -3.677 1.706 1.00 0.00 O ATOM 382 CB GLN p 24 7.414 -1.525 3.037 1.00 0.00 C ATOM 383 CG GLN p 24 7.428 -0.358 3.963 1.00 0.00 C ATOM 384 CD GLN p 24 8.441 -0.484 5.089 1.00 0.00 C ATOM 385 OE1 GLN p 24 9.587 -0.054 4.961 1.00 0.00 O ATOM 386 NE2 GLN p 24 8.020 -1.079 6.199 1.00 0.00 N ATOM 0 H GLN p 24 7.203 -0.218 0.966 1.00 0.00 H new ATOM 0 HA GLN p 24 9.441 -1.191 2.412 1.00 0.00 H new ATOM 0 HB2 GLN p 24 6.444 -1.565 2.542 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.510 -2.438 3.625 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.643 0.545 3.392 1.00 0.00 H new ATOM 0 HG3 GLN p 24 6.434 -0.234 4.393 1.00 0.00 H new ATOM 0 HE21 GLN p 24 7.061 -1.421 6.262 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.656 -1.194 6.988 1.00 0.00 H new ATOM 395 N LEU p 25 7.517 -3.168 0.661 1.00 0.00 N ATOM 396 CA LEU p 25 7.290 -4.413 -0.073 1.00 0.00 C ATOM 397 C LEU p 25 8.462 -4.671 -0.972 1.00 0.00 C ATOM 398 O LEU p 25 9.030 -5.732 -0.953 1.00 0.00 O ATOM 399 CB LEU p 25 6.024 -4.288 -0.921 1.00 0.00 C ATOM 400 CG LEU p 25 4.826 -5.112 -0.481 1.00 0.00 C ATOM 401 CD1 LEU p 25 4.223 -4.531 0.784 1.00 0.00 C ATOM 402 CD2 LEU p 25 3.811 -5.133 -1.601 1.00 0.00 C ATOM 0 H LEU p 25 6.767 -2.491 0.523 1.00 0.00 H new ATOM 0 HA LEU p 25 7.172 -5.236 0.633 1.00 0.00 H new ATOM 0 HB2 LEU p 25 5.728 -3.239 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU p 25 6.271 -4.567 -1.945 1.00 0.00 H new ATOM 0 HG LEU p 25 5.140 -6.132 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU p 25 3.366 -5.132 1.087 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.969 -4.536 1.578 1.00 0.00 H new ATOM 0 HD13 LEU p 25 3.900 -3.507 0.596 1.00 0.00 H new ATOM 0 HD21 LEU p 25 2.946 -5.722 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU p 25 3.496 -4.114 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU p 25 4.259 -5.578 -2.490 1.00 0.00 H new ATOM 414 N GLU p 26 8.773 -3.641 -1.750 1.00 0.00 N ATOM 415 CA GLU p 26 9.918 -3.582 -2.661 1.00 0.00 C ATOM 416 C GLU p 26 11.184 -3.587 -1.838 1.00 0.00 C ATOM 417 O GLU p 26 12.266 -3.898 -2.307 1.00 0.00 O ATOM 418 CB GLU p 26 9.860 -2.317 -3.504 1.00 0.00 C ATOM 419 CG GLU p 26 8.491 -2.052 -4.085 1.00 0.00 C ATOM 420 CD GLU p 26 8.513 -1.809 -5.581 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.396 -2.792 -6.343 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.649 -0.637 -5.991 1.00 0.00 O ATOM 0 H GLU p 26 8.214 -2.788 -1.767 1.00 0.00 H new ATOM 0 HA GLU p 26 9.898 -4.442 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.159 -1.466 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.583 -2.395 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU p 26 7.842 -2.901 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.055 -1.185 -3.589 1.00 0.00 H new ATOM 429 N LYS p 27 11.015 -3.154 -0.605 1.00 0.00 N ATOM 430 CA LYS p 27 12.102 -3.207 0.379 1.00 0.00 C ATOM 431 C LYS p 27 12.165 -4.634 0.910 1.00 0.00 C ATOM 432 O LYS p 27 13.202 -5.100 1.388 1.00 0.00 O ATOM 433 CB LYS p 27 11.938 -2.210 1.525 1.00 0.00 C ATOM 434 CG LYS p 27 12.610 -0.872 1.273 1.00 0.00 C ATOM 435 CD LYS p 27 12.734 -0.058 2.551 1.00 0.00 C ATOM 436 CE LYS p 27 13.400 1.283 2.295 1.00 0.00 C ATOM 437 NZ LYS p 27 13.524 2.089 3.540 1.00 0.00 N ATOM 0 H LYS p 27 10.143 -2.761 -0.252 1.00 0.00 H new ATOM 0 HA LYS p 27 13.031 -2.922 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.875 -2.045 1.701 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.348 -2.646 2.436 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.600 -1.036 0.848 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.036 -0.309 0.537 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.744 0.102 2.979 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.312 -0.618 3.286 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.390 1.121 1.868 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.822 1.840 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 13.983 2.996 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.578 2.266 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.097 1.569 4.235 1.00 0.00 H new ATOM 451 N GLU p 28 11.006 -5.302 0.834 1.00 0.00 N ATOM 452 CA GLU p 28 10.892 -6.721 1.214 1.00 0.00 C ATOM 453 C GLU p 28 11.042 -7.575 -0.031 1.00 0.00 C ATOM 454 O GLU p 28 11.529 -8.706 0.014 1.00 0.00 O ATOM 455 CB GLU p 28 9.538 -7.043 1.858 1.00 0.00 C ATOM 456 CG GLU p 28 9.112 -6.062 2.922 1.00 0.00 C ATOM 457 CD GLU p 28 8.868 -6.713 4.269 1.00 0.00 C ATOM 458 OE1 GLU p 28 9.826 -6.812 5.064 1.00 0.00 O ATOM 459 OE2 GLU p 28 7.717 -7.125 4.529 1.00 0.00 O ATOM 0 H GLU p 28 10.133 -4.884 0.513 1.00 0.00 H new ATOM 0 HA GLU p 28 11.674 -6.932 1.943 1.00 0.00 H new ATOM 0 HB2 GLU p 28 8.775 -7.072 1.080 1.00 0.00 H new ATOM 0 HB3 GLU p 28 9.584 -8.040 2.296 1.00 0.00 H new ATOM 0 HG2 GLU p 28 9.880 -5.296 3.029 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.201 -5.558 2.599 1.00 0.00 H new ATOM 466 N LEU p 29 10.573 -7.000 -1.134 1.00 0.00 N ATOM 467 CA LEU p 29 10.607 -7.633 -2.445 1.00 0.00 C ATOM 468 C LEU p 29 11.938 -7.447 -3.154 1.00 0.00 C ATOM 469 O LEU p 29 12.564 -8.421 -3.583 1.00 0.00 O ATOM 470 CB LEU p 29 9.504 -7.036 -3.322 1.00 0.00 C ATOM 471 CG LEU p 29 8.578 -8.009 -4.035 1.00 0.00 C ATOM 472 CD1 LEU p 29 7.522 -7.211 -4.770 1.00 0.00 C ATOM 473 CD2 LEU p 29 9.363 -8.883 -4.995 1.00 0.00 C ATOM 0 H LEU p 29 10.154 -6.070 -1.141 1.00 0.00 H new ATOM 0 HA LEU p 29 10.458 -8.701 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU p 29 8.893 -6.384 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU p 29 9.976 -6.406 -4.076 1.00 0.00 H new ATOM 0 HG LEU p 29 8.100 -8.668 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU p 29 6.847 -7.892 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU p 29 6.956 -6.612 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU p 29 8.002 -6.554 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU p 29 8.685 -9.573 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU p 29 9.857 -8.256 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU p 29 10.113 -9.449 -4.442 1.00 0.00 H new ATOM 791 N GLN p 51 3.915 -14.632 -4.998 1.00 0.00 N ATOM 792 CA GLN p 51 2.474 -14.919 -4.958 1.00 0.00 C ATOM 793 C GLN p 51 1.848 -14.436 -3.640 1.00 0.00 C ATOM 794 O GLN p 51 0.630 -14.502 -3.456 1.00 0.00 O ATOM 795 CB GLN p 51 2.220 -16.421 -5.145 1.00 0.00 C ATOM 796 CG GLN p 51 2.449 -16.910 -6.568 1.00 0.00 C ATOM 797 CD GLN p 51 2.190 -18.396 -6.722 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.071 -18.815 -7.019 1.00 0.00 O ATOM 799 NE2 GLN p 51 3.227 -19.201 -6.521 1.00 0.00 N ATOM 0 HA GLN p 51 2.003 -14.376 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN p 51 2.871 -16.977 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.194 -16.645 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN p 51 1.798 -16.359 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN p 51 3.475 -16.691 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN p 51 4.137 -18.810 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN p 51 3.114 -20.211 -6.611 1.00 0.00 H new ATOM 808 N ALA p 52 2.710 -13.998 -2.715 1.00 0.00 N ATOM 809 CA ALA p 52 2.284 -13.517 -1.402 1.00 0.00 C ATOM 810 C ALA p 52 2.384 -11.994 -1.262 1.00 0.00 C ATOM 811 O ALA p 52 1.598 -11.383 -0.544 1.00 0.00 O ATOM 812 CB ALA p 52 3.130 -14.196 -0.336 1.00 0.00 C ATOM 0 H ALA p 52 3.719 -13.968 -2.858 1.00 0.00 H new ATOM 0 HA ALA p 52 1.231 -13.769 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA p 52 2.823 -13.846 0.650 1.00 0.00 H new ATOM 0 HB2 ALA p 52 2.994 -15.276 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA p 52 4.181 -13.953 -0.496 1.00 0.00 H new ATOM 818 N LEU p 53 3.370 -11.413 -1.935 1.00 0.00 N ATOM 819 CA LEU p 53 3.653 -9.988 -1.908 1.00 0.00 C ATOM 820 C LEU p 53 3.015 -9.280 -3.089 1.00 0.00 C ATOM 821 O LEU p 53 2.137 -8.437 -2.924 1.00 0.00 O ATOM 822 CB LEU p 53 5.167 -9.778 -1.909 1.00 0.00 C ATOM 823 CG LEU p 53 5.884 -9.861 -0.553 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.812 -11.262 0.050 1.00 0.00 C ATOM 825 CD2 LEU p 53 7.328 -9.447 -0.737 1.00 0.00 C ATOM 0 H LEU p 53 4.011 -11.937 -2.530 1.00 0.00 H new ATOM 0 HA LEU p 53 3.226 -9.560 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU p 53 5.611 -10.520 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU p 53 5.373 -8.799 -2.342 1.00 0.00 H new ATOM 0 HG LEU p 53 5.382 -9.188 0.142 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.332 -11.273 1.008 1.00 0.00 H new ATOM 0 HD12 LEU p 53 4.769 -11.540 0.200 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.284 -11.974 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU p 53 7.847 -9.502 0.220 1.00 0.00 H new ATOM 0 HD22 LEU p 53 7.810 -10.115 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU p 53 7.368 -8.425 -1.113 1.00 0.00 H new ATOM 837 N LYS p 54 3.493 -9.648 -4.286 1.00 0.00 N ATOM 838 CA LYS p 54 3.007 -9.097 -5.572 1.00 0.00 C ATOM 839 C LYS p 54 1.512 -9.372 -5.780 1.00 0.00 C ATOM 840 O LYS p 54 0.868 -8.759 -6.632 1.00 0.00 O ATOM 841 CB LYS p 54 3.802 -9.680 -6.746 1.00 0.00 C ATOM 842 CG LYS p 54 5.228 -9.160 -6.852 1.00 0.00 C ATOM 843 CD LYS p 54 5.925 -9.704 -8.091 1.00 0.00 C ATOM 844 CE LYS p 54 7.360 -9.204 -8.204 1.00 0.00 C ATOM 845 NZ LYS p 54 7.427 -7.761 -8.574 1.00 0.00 N ATOM 0 H LYS p 54 4.233 -10.341 -4.397 1.00 0.00 H new ATOM 0 HA LYS p 54 3.155 -8.018 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS p 54 3.829 -10.765 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS p 54 3.275 -9.456 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS p 54 5.218 -8.071 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS p 54 5.789 -9.446 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.922 -10.794 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS p 54 5.367 -9.409 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS p 54 7.872 -9.358 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS p 54 7.891 -9.794 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.422 -7.469 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.947 -7.613 -9.485 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.959 -7.192 -7.840 1.00 0.00 H new ATOM 859 N LYS p 55 0.997 -10.304 -4.977 1.00 0.00 N ATOM 860 CA LYS p 55 -0.393 -10.700 -4.972 1.00 0.00 C ATOM 861 C LYS p 55 -1.112 -9.908 -3.905 1.00 0.00 C ATOM 862 O LYS p 55 -2.282 -9.574 -4.057 1.00 0.00 O ATOM 863 CB LYS p 55 -0.524 -12.193 -4.714 1.00 0.00 C ATOM 864 CG LYS p 55 -0.684 -13.028 -5.978 1.00 0.00 C ATOM 865 CD LYS p 55 -2.150 -13.196 -6.365 1.00 0.00 C ATOM 866 CE LYS p 55 -2.306 -14.013 -7.642 1.00 0.00 C ATOM 867 NZ LYS p 55 -1.897 -13.248 -8.854 1.00 0.00 N ATOM 0 H LYS p 55 1.560 -10.813 -4.296 1.00 0.00 H new ATOM 0 HA LYS p 55 -0.839 -10.495 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS p 55 0.358 -12.537 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -1.383 -12.365 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -0.144 -12.554 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.234 -14.009 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.687 -13.685 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -2.605 -12.215 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -1.705 -14.919 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.345 -14.327 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -2.052 -13.831 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.464 -12.379 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -0.889 -13.000 -8.784 1.00 0.00 H new ATOM 881 N LYS p 56 -0.382 -9.631 -2.808 1.00 0.00 N ATOM 882 CA LYS p 56 -0.906 -8.782 -1.711 1.00 0.00 C ATOM 883 C LYS p 56 -0.847 -7.316 -2.156 1.00 0.00 C ATOM 884 O LYS p 56 -1.419 -6.415 -1.539 1.00 0.00 O ATOM 885 CB LYS p 56 -0.093 -8.965 -0.428 1.00 0.00 C ATOM 886 CG LYS p 56 -0.737 -9.907 0.586 1.00 0.00 C ATOM 887 CD LYS p 56 -1.721 -9.181 1.496 1.00 0.00 C ATOM 888 CE LYS p 56 -2.382 -10.136 2.475 1.00 0.00 C ATOM 889 NZ LYS p 56 -3.360 -9.439 3.356 1.00 0.00 N ATOM 0 H LYS p 56 0.565 -9.977 -2.654 1.00 0.00 H new ATOM 0 HA LYS p 56 -1.934 -9.076 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.894 -9.347 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS p 56 0.054 -7.991 0.039 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -1.255 -10.708 0.059 1.00 0.00 H new ATOM 0 HG3 LYS p 56 0.040 -10.374 1.191 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.200 -8.398 2.046 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.485 -8.692 0.891 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.890 -10.927 1.924 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.618 -10.614 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.789 -10.125 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -2.871 -8.701 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -4.104 -9.004 2.773 1.00 0.00 H new ATOM 903 N LEU p 57 -0.118 -7.146 -3.259 1.00 0.00 N ATOM 904 CA LEU p 57 0.120 -5.911 -3.955 1.00 0.00 C ATOM 905 C LEU p 57 -0.939 -5.814 -5.030 1.00 0.00 C ATOM 906 O LEU p 57 -1.551 -4.768 -5.241 1.00 0.00 O ATOM 907 CB LEU p 57 1.514 -5.984 -4.583 1.00 0.00 C ATOM 908 CG LEU p 57 2.210 -4.674 -4.937 1.00 0.00 C ATOM 909 CD1 LEU p 57 3.641 -4.999 -5.276 1.00 0.00 C ATOM 910 CD2 LEU p 57 1.543 -3.990 -6.120 1.00 0.00 C ATOM 0 H LEU p 57 0.349 -7.933 -3.710 1.00 0.00 H new ATOM 0 HA LEU p 57 0.074 -5.042 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU p 57 2.161 -6.531 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.439 -6.579 -5.493 1.00 0.00 H new ATOM 0 HG LEU p 57 2.150 -3.989 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU p 57 4.171 -4.082 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU p 57 4.122 -5.465 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU p 57 3.668 -5.685 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU p 57 2.065 -3.060 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU p 57 1.582 -4.647 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU p 57 0.503 -3.773 -5.876 1.00 0.00 H new ATOM 922 N ALA p 58 -1.111 -6.956 -5.718 1.00 0.00 N ATOM 923 CA ALA p 58 -2.144 -7.106 -6.762 1.00 0.00 C ATOM 924 C ALA p 58 -3.540 -7.088 -6.130 1.00 0.00 C ATOM 925 O ALA p 58 -4.547 -6.895 -6.812 1.00 0.00 O ATOM 926 CB ALA p 58 -1.942 -8.384 -7.563 1.00 0.00 C ATOM 0 H ALA p 58 -0.546 -7.793 -5.570 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.053 -6.265 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -2.719 -8.464 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -0.964 -8.361 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -1.997 -9.244 -6.896 1.00 0.00 H new ATOM 932 N GLN p 59 -3.555 -7.305 -4.807 1.00 0.00 N ATOM 933 CA GLN p 59 -4.740 -7.279 -3.985 1.00 0.00 C ATOM 934 C GLN p 59 -4.874 -5.871 -3.411 1.00 0.00 C ATOM 935 O GLN p 59 -5.956 -5.439 -3.033 1.00 0.00 O ATOM 936 CB GLN p 59 -4.571 -8.324 -2.880 1.00 0.00 C ATOM 937 CG GLN p 59 -5.457 -8.120 -1.678 1.00 0.00 C ATOM 938 CD GLN p 59 -6.258 -9.353 -1.310 1.00 0.00 C ATOM 939 OE1 GLN p 59 -5.809 -10.186 -0.522 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.451 -9.478 -1.880 1.00 0.00 N ATOM 0 H GLN p 59 -2.708 -7.509 -4.277 1.00 0.00 H new ATOM 0 HA GLN p 59 -5.642 -7.516 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -4.771 -9.310 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -3.531 -8.321 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -4.842 -7.827 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.142 -7.295 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -7.784 -8.764 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -8.034 -10.288 -1.670 1.00 0.00 H new ATOM 949 N LEU p 60 -3.719 -5.202 -3.349 1.00 0.00 N ATOM 950 CA LEU p 60 -3.579 -3.824 -2.871 1.00 0.00 C ATOM 951 C LEU p 60 -3.988 -2.849 -3.986 1.00 0.00 C ATOM 952 O LEU p 60 -4.508 -1.765 -3.737 1.00 0.00 O ATOM 953 CB LEU p 60 -2.111 -3.592 -2.449 1.00 0.00 C ATOM 954 CG LEU p 60 -1.743 -2.232 -1.812 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.237 -1.281 -2.882 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.925 -1.621 -1.073 1.00 0.00 C ATOM 0 H LEU p 60 -2.832 -5.615 -3.638 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.228 -3.652 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.839 -4.376 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.485 -3.727 -3.331 1.00 0.00 H new ATOM 0 HG LEU p 60 -0.953 -2.404 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.980 -0.325 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.353 -1.706 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.014 -1.129 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.628 -0.666 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.748 -1.463 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.247 -2.296 -0.280 1.00 0.00 H new ATOM 968 N LYS p 61 -3.748 -3.318 -5.203 1.00 0.00 N ATOM 969 CA LYS p 61 -4.040 -2.645 -6.461 1.00 0.00 C ATOM 970 C LYS p 61 -5.486 -2.926 -6.801 1.00 0.00 C ATOM 971 O LYS p 61 -6.171 -2.136 -7.456 1.00 0.00 O ATOM 972 CB LYS p 61 -3.109 -3.182 -7.555 1.00 0.00 C ATOM 973 CG LYS p 61 -2.062 -2.184 -8.027 1.00 0.00 C ATOM 974 CD LYS p 61 -2.559 -1.358 -9.208 1.00 0.00 C ATOM 975 CE LYS p 61 -1.557 -0.284 -9.607 1.00 0.00 C ATOM 976 NZ LYS p 61 -0.396 -0.849 -10.355 1.00 0.00 N ATOM 0 H LYS p 61 -3.319 -4.232 -5.347 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.880 -1.570 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.604 -4.073 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.711 -3.492 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.797 -1.519 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.155 -2.717 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.746 -2.014 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -3.510 -0.891 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -2.055 0.465 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -1.198 0.226 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 0.261 -0.083 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 0.096 -1.545 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -0.734 -1.314 -11.222 1.00 0.00 H new ATOM 990 N TRP p 62 -5.913 -4.103 -6.333 1.00 0.00 N ATOM 991 CA TRP p 62 -7.292 -4.547 -6.430 1.00 0.00 C ATOM 992 C TRP p 62 -8.027 -3.855 -5.304 1.00 0.00 C ATOM 993 O TRP p 62 -9.238 -3.624 -5.362 1.00 0.00 O ATOM 994 CB TRP p 62 -7.395 -6.062 -6.289 1.00 0.00 C ATOM 995 CG TRP p 62 -8.289 -6.696 -7.315 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.607 -7.015 -7.160 1.00 0.00 C ATOM 997 CD2 TRP p 62 -7.936 -7.087 -8.653 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.097 -7.580 -8.313 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.092 -7.634 -9.243 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -6.759 -7.028 -9.412 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -9.106 -8.118 -10.549 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -6.776 -7.508 -10.707 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -7.942 -8.046 -11.264 1.00 0.00 C ATOM 0 H TRP p 62 -5.299 -4.775 -5.873 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.718 -4.300 -7.402 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.398 -6.496 -6.369 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -7.769 -6.302 -5.294 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.182 -6.848 -6.261 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.053 -7.906 -8.454 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -5.854 -6.614 -8.991 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -10.003 -8.535 -10.982 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -5.874 -7.468 -11.300 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -7.922 -8.412 -12.280 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.230 -3.527 -4.268 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.719 -2.765 -3.115 1.00 0.00 C ATOM 1016 C LYS p 63 -7.838 -1.304 -3.509 1.00 0.00 C ATOM 1017 O LYS p 63 -8.681 -0.594 -2.991 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.804 -2.903 -1.899 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.315 -3.875 -0.840 1.00 0.00 C ATOM 1020 CD LYS p 63 -8.241 -3.192 0.159 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.734 -4.165 1.217 1.00 0.00 C ATOM 1022 NZ LYS p 63 -9.646 -3.509 2.195 1.00 0.00 N ATOM 0 H LYS p 63 -6.244 -3.781 -4.212 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.692 -3.166 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.820 -3.232 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.674 -1.922 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -7.845 -4.694 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -6.469 -4.312 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -7.715 -2.367 0.639 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -9.093 -2.763 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.254 -4.993 0.735 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -7.880 -4.590 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -9.960 -4.207 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -9.143 -2.735 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -10.474 -3.126 1.695 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.961 -0.885 -4.439 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.959 0.476 -5.017 1.00 0.00 C ATOM 1038 C LEU p 64 -8.297 0.737 -5.666 1.00 0.00 C ATOM 1039 O LEU p 64 -8.952 1.738 -5.478 1.00 0.00 O ATOM 1040 CB LEU p 64 -5.891 0.565 -6.102 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.675 1.436 -5.826 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.692 0.715 -4.925 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -4.021 1.779 -7.143 1.00 0.00 C ATOM 0 H LEU p 64 -6.227 -1.485 -4.815 1.00 0.00 H new ATOM 0 HA LEU p 64 -6.762 1.201 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -5.540 -0.445 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -6.367 0.931 -7.012 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.988 2.347 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.830 1.356 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.175 0.475 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.363 -0.205 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.146 2.404 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -3.715 0.862 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.729 2.319 -7.771 1.00 0.00 H new ATOM 1055 N GLN p 65 -8.677 -0.230 -6.438 1.00 0.00 N ATOM 1056 CA GLN p 65 -9.968 -0.255 -7.127 1.00 0.00 C ATOM 1057 C GLN p 65 -11.066 0.068 -6.106 1.00 0.00 C ATOM 1058 O GLN p 65 -12.174 0.459 -6.448 1.00 0.00 O ATOM 1059 CB GLN p 65 -10.140 -1.645 -7.770 1.00 0.00 C ATOM 1060 CG GLN p 65 -11.461 -2.356 -7.500 1.00 0.00 C ATOM 1061 CD GLN p 65 -12.413 -2.293 -8.679 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -12.399 -3.162 -9.550 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -13.245 -1.258 -8.711 1.00 0.00 N ATOM 0 H GLN p 65 -8.101 -1.051 -6.624 1.00 0.00 H new ATOM 0 HA GLN p 65 -10.028 0.489 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -10.022 -1.540 -8.849 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.330 -2.285 -7.422 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -11.263 -3.399 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.938 -1.908 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -13.221 -0.561 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -13.908 -1.160 -9.480 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.728 -0.266 -4.870 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.540 -0.008 -3.693 1.00 0.00 C ATOM 1074 C ALA p 66 -11.039 1.191 -2.886 1.00 0.00 C ATOM 1075 O ALA p 66 -11.835 1.928 -2.314 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.653 -1.249 -2.822 1.00 0.00 C ATOM 0 H ALA p 66 -9.851 -0.740 -4.653 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.537 0.250 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -12.266 -1.026 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -12.115 -2.054 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.659 -1.558 -2.498 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.701 1.357 -2.852 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.022 2.395 -2.084 1.00 0.00 C ATOM 1084 C LEU p 67 -8.892 3.657 -2.916 1.00 0.00 C ATOM 1085 O LEU p 67 -9.154 4.756 -2.443 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.651 1.842 -1.615 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.388 2.598 -2.058 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.201 3.847 -1.234 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.177 1.698 -1.969 1.00 0.00 C ATOM 0 H LEU p 67 -9.059 0.757 -3.371 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.599 2.665 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.657 1.809 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.567 0.813 -1.965 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.509 2.900 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.302 4.368 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.065 4.499 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.100 3.578 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.291 2.248 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -5.047 1.363 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.318 0.833 -2.617 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.432 3.456 -4.143 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.296 4.509 -5.137 1.00 0.00 C ATOM 1103 C LYS p 68 -9.683 4.916 -5.588 1.00 0.00 C ATOM 1104 O LYS p 68 -9.886 6.042 -6.044 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.439 4.070 -6.332 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.021 4.632 -6.312 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.957 6.041 -6.898 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.540 6.600 -6.871 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.667 5.967 -7.901 1.00 0.00 N ATOM 0 H LYS p 68 -8.138 2.540 -4.481 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.780 5.357 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.388 2.981 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -7.930 4.382 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -5.652 4.648 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.362 3.974 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.322 6.025 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.619 6.699 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.572 7.677 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.107 6.442 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.713 6.377 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.614 4.943 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.065 6.139 -8.846 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.642 3.968 -5.463 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.034 4.272 -5.750 1.00 0.00 C ATOM 1125 C LYS p 69 -12.605 4.978 -4.534 1.00 0.00 C ATOM 1126 O LYS p 69 -13.530 5.770 -4.645 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.837 3.021 -6.067 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.289 2.934 -7.520 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.687 3.509 -7.715 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.139 3.411 -9.166 1.00 0.00 C ATOM 1131 NZ LYS p 69 -15.496 2.016 -9.552 1.00 0.00 N ATOM 0 H LYS p 69 -10.466 3.007 -5.170 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.094 4.907 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.235 2.144 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.714 2.990 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.583 3.472 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.276 1.893 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.392 2.976 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -14.699 4.552 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -16.000 4.061 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -14.344 3.774 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -15.814 2.000 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -14.663 1.402 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.261 1.671 -8.938 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.981 4.674 -3.380 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.298 5.276 -2.086 1.00 0.00 C ATOM 1147 C LYS p 70 -11.543 6.579 -1.976 1.00 0.00 C ATOM 1148 O LYS p 70 -11.883 7.443 -1.178 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.899 4.356 -0.940 1.00 0.00 C ATOM 1150 CG LYS p 70 -13.074 3.761 -0.178 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.445 4.602 1.037 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.610 3.998 1.808 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.907 4.163 1.092 1.00 0.00 N ATOM 0 H LYS p 70 -11.228 3.988 -3.328 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.373 5.444 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.289 3.544 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.273 4.913 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.935 3.682 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.825 2.750 0.143 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.581 4.691 1.695 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.706 5.610 0.715 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.422 2.937 1.975 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -14.677 4.468 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.689 4.125 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -15.919 5.081 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -16.019 3.398 0.396 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.471 6.653 -2.779 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.650 7.853 -2.919 1.00 0.00 C ATOM 1169 C ASN p 71 -10.321 8.708 -3.990 1.00 0.00 C ATOM 1170 O ASN p 71 -10.005 9.879 -4.175 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.211 7.515 -3.320 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.220 8.578 -2.883 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -6.667 8.514 -1.784 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -6.991 9.564 -3.743 1.00 0.00 N ATOM 0 H ASN p 71 -10.151 5.872 -3.352 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.582 8.381 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -7.930 6.558 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.157 7.396 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.335 10.307 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.471 9.578 -4.643 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.243 8.030 -4.696 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.101 8.594 -5.726 1.00 0.00 C ATOM 1183 C ALA p 72 -13.390 9.001 -5.045 1.00 0.00 C ATOM 1184 O ALA p 72 -14.121 9.860 -5.526 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.372 7.594 -6.839 1.00 0.00 C ATOM 0 H ALA p 72 -11.409 7.034 -4.550 1.00 0.00 H new ATOM 0 HA ALA p 72 -11.616 9.450 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.016 8.051 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.430 7.299 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -12.865 6.714 -6.425 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.642 8.314 -3.911 1.00 0.00 N ATOM 1192 CA GLN p 73 -14.767 8.575 -3.022 1.00 0.00 C ATOM 1193 C GLN p 73 -14.326 9.670 -2.104 1.00 0.00 C ATOM 1194 O GLN p 73 -15.118 10.449 -1.591 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.104 7.356 -2.190 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.541 6.181 -3.014 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.956 5.728 -2.709 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.916 6.197 -3.319 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -17.091 4.807 -1.761 1.00 0.00 N ATOM 0 H GLN p 73 -13.049 7.548 -3.591 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.651 8.839 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.232 7.074 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -15.895 7.612 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.470 6.440 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -14.856 5.351 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -16.267 4.445 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.018 4.462 -1.514 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.013 9.635 -1.889 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.290 10.630 -1.105 1.00 0.00 C ATOM 1210 C LEU p 74 -12.084 11.852 -1.977 1.00 0.00 C ATOM 1211 O LEU p 74 -12.076 12.960 -1.502 1.00 0.00 O ATOM 1212 CB LEU p 74 -10.942 10.082 -0.644 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.244 10.819 0.505 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -10.955 10.599 1.836 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -8.811 10.341 0.578 1.00 0.00 C ATOM 0 H LEU p 74 -12.412 8.900 -2.262 1.00 0.00 H new ATOM 0 HA LEU p 74 -12.864 10.888 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.084 9.044 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.268 10.076 -1.501 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.274 11.891 0.309 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.428 11.138 2.623 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -11.979 10.967 1.767 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -10.967 9.535 2.071 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.297 10.855 1.391 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -8.795 9.266 0.760 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.307 10.557 -0.364 1.00 0.00 H new ATOM 1227 N LYS p 75 -11.951 11.596 -3.275 1.00 0.00 N ATOM 1228 CA LYS p 75 -11.806 12.633 -4.290 1.00 0.00 C ATOM 1229 C LYS p 75 -13.195 13.128 -4.605 1.00 0.00 C ATOM 1230 O LYS p 75 -13.395 14.223 -5.134 1.00 0.00 O ATOM 1231 CB LYS p 75 -11.150 12.079 -5.544 1.00 0.00 C ATOM 1232 CG LYS p 75 -9.806 12.706 -5.875 1.00 0.00 C ATOM 1233 CD LYS p 75 -9.940 13.815 -6.910 1.00 0.00 C ATOM 1234 CE LYS p 75 -8.592 14.435 -7.252 1.00 0.00 C ATOM 1235 NZ LYS p 75 -7.751 13.532 -8.087 1.00 0.00 N ATOM 0 H LYS p 75 -11.941 10.650 -3.656 1.00 0.00 H new ATOM 0 HA LYS p 75 -11.170 13.440 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.017 11.004 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -11.824 12.226 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.359 13.109 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -9.129 11.938 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -10.396 13.414 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -10.610 14.587 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -8.750 15.374 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -8.060 14.675 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -6.844 13.996 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -7.577 12.645 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -8.245 13.323 -8.978 1.00 0.00 H new ATOM 1249 N LYS p 76 -14.151 12.258 -4.253 1.00 0.00 N ATOM 1250 CA LYS p 76 -15.569 12.557 -4.389 1.00 0.00 C ATOM 1251 C LYS p 76 -16.009 13.258 -3.125 1.00 0.00 C ATOM 1252 O LYS p 76 -16.908 14.102 -3.142 1.00 0.00 O ATOM 1253 CB LYS p 76 -16.384 11.291 -4.612 1.00 0.00 C ATOM 1254 CG LYS p 76 -16.875 11.109 -6.040 1.00 0.00 C ATOM 1255 CD LYS p 76 -18.286 11.650 -6.226 1.00 0.00 C ATOM 1256 CE LYS p 76 -18.775 11.453 -7.652 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.172 11.936 -7.830 1.00 0.00 N ATOM 0 H LYS p 76 -13.957 11.333 -3.868 1.00 0.00 H new ATOM 0 HA LYS p 76 -15.733 13.193 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -15.778 10.429 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.244 11.304 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -16.197 11.618 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -16.854 10.050 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -18.963 11.148 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -18.306 12.711 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -18.116 11.985 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -18.720 10.396 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -20.469 11.784 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -20.805 11.411 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -20.220 12.951 -7.606 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.350 12.878 -2.024 1.00 0.00 N ATOM 1272 CA LYS p 77 -15.585 13.500 -0.735 1.00 0.00 C ATOM 1273 C LYS p 77 -14.697 14.731 -0.585 1.00 0.00 C ATOM 1274 O LYS p 77 -14.931 15.574 0.287 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.320 12.513 0.393 1.00 0.00 C ATOM 1276 CG LYS p 77 -16.556 11.757 0.848 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.321 11.055 2.175 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.560 10.304 2.634 1.00 0.00 C ATOM 1279 NZ LYS p 77 -17.337 9.605 3.930 1.00 0.00 N ATOM 0 H LYS p 77 -14.648 12.138 -2.010 1.00 0.00 H new ATOM 0 HA LYS p 77 -16.629 13.807 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -14.567 11.796 0.067 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -14.901 13.051 1.243 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.392 12.449 0.944 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -16.835 11.024 0.091 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.488 10.359 2.077 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.038 11.788 2.930 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.391 11.002 2.736 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -17.846 9.577 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.205 9.105 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -16.561 8.920 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.089 10.301 4.662 1.00 0.00 H new ATOM 1293 N LEU p 78 -13.669 14.819 -1.451 1.00 0.00 N ATOM 1294 CA LEU p 78 -12.736 15.953 -1.462 1.00 0.00 C ATOM 1295 C LEU p 78 -13.445 17.251 -1.866 1.00 0.00 C ATOM 1296 O LEU p 78 -13.480 18.223 -1.106 1.00 0.00 O ATOM 1297 CB LEU p 78 -11.592 15.613 -2.437 1.00 0.00 C ATOM 1298 CG LEU p 78 -10.406 16.575 -2.524 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -9.213 15.819 -3.055 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -10.719 17.742 -3.445 1.00 0.00 C ATOM 0 H LEU p 78 -13.466 14.110 -2.156 1.00 0.00 H new ATOM 0 HA LEU p 78 -12.336 16.118 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -11.205 14.631 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -12.021 15.522 -3.435 1.00 0.00 H new ATOM 0 HG LEU p 78 -10.196 16.973 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -8.357 16.491 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -8.975 14.996 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.444 15.423 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -9.860 18.411 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.939 17.368 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.583 18.286 -3.063 1.00 0.00 H new ATOM 1312 N GLN p 79 -13.998 17.229 -3.071 1.00 0.00 N ATOM 1313 CA GLN p 79 -14.723 18.356 -3.648 1.00 0.00 C ATOM 1314 C GLN p 79 -16.171 18.426 -3.162 1.00 0.00 C ATOM 1315 O GLN p 79 -16.672 19.501 -2.816 1.00 0.00 O ATOM 1316 CB GLN p 79 -14.673 18.282 -5.185 1.00 0.00 C ATOM 1317 CG GLN p 79 -14.805 16.877 -5.776 1.00 0.00 C ATOM 1318 CD GLN p 79 -14.766 16.878 -7.292 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -13.700 16.766 -7.897 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.933 17.004 -7.913 1.00 0.00 N ATOM 0 H GLN p 79 -13.956 16.416 -3.686 1.00 0.00 H new ATOM 0 HA GLN p 79 -14.231 19.269 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -15.471 18.905 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -13.731 18.713 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -13.999 16.249 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -15.742 16.432 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -16.792 17.094 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.970 17.011 -8.932 1.00 0.00 H new ATOM 1329 N ALA p 80 -16.819 17.271 -3.144 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.211 17.154 -2.708 1.00 0.00 C ATOM 1331 C ALA p 80 -18.298 16.603 -1.286 1.00 0.00 C ATOM 1332 O ALA p 80 -18.783 17.338 -0.399 1.00 0.00 O ATOM 1333 CB ALA p 80 -18.998 16.279 -3.677 1.00 0.00 C ATOM 1334 OXT ALA p 80 -17.873 15.448 -1.064 1.00 0.00 O ATOM 0 H ALA p 80 -16.399 16.387 -3.430 1.00 0.00 H new ATOM 0 HA ALA p 80 -18.652 18.151 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -20.032 16.201 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.973 16.724 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -18.552 15.285 -3.714 1.00 0.00 H new