USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: p 51 GLN : amide:sc= 0.904 K(o=2,f=-4.6) USER MOD Set 1.2: p 55 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0) USER MOD Set 2.1: p 20 LYS NZ :NH3+ 164:sc= -0.206 (180deg=0) USER MOD Set 2.2: p 27 LYS NZ :NH3+ -133:sc= -0.203 (180deg=-0.00675) 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= -0.173 K(o=-0.17,f=-1.2!) USER MOD Single : p 16 GLN : amide:sc= 0.731 K(o=0.73,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 71 ASN : amide:sc= -0.242 K(o=-0.24,f=-3.8!) 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+ 178:sc= 0 (180deg=-0.00386) USER MOD Single : p 77 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00196) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA p 3 -5.211 21.115 5.678 1.00 0.00 N ATOM 38 CA ALA p 3 -5.878 20.217 6.624 1.00 0.00 C ATOM 39 C ALA p 3 -6.397 18.956 5.954 1.00 0.00 C ATOM 40 O ALA p 3 -6.274 17.862 6.491 1.00 0.00 O ATOM 41 CB ALA p 3 -7.006 20.950 7.342 1.00 0.00 C ATOM 0 HA ALA p 3 -5.134 19.904 7.356 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.493 20.271 8.042 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.598 21.801 7.887 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.734 21.302 6.611 1.00 0.00 H new ATOM 47 N LEU p 4 -7.021 19.167 4.805 1.00 0.00 N ATOM 48 CA LEU p 4 -7.624 18.132 3.994 1.00 0.00 C ATOM 49 C LEU p 4 -6.666 17.694 2.896 1.00 0.00 C ATOM 50 O LEU p 4 -6.396 16.511 2.718 1.00 0.00 O ATOM 51 CB LEU p 4 -8.967 18.651 3.418 1.00 0.00 C ATOM 52 CG LEU p 4 -9.864 17.638 2.671 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.511 17.605 1.193 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.747 16.247 3.273 1.00 0.00 C ATOM 0 H LEU p 4 -7.122 20.098 4.402 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.832 17.255 4.607 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.546 19.070 4.241 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.745 19.471 2.735 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.898 17.965 2.779 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.152 16.887 0.682 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -9.659 18.595 0.761 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.468 17.310 1.074 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.390 15.558 2.725 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.713 15.908 3.208 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.054 16.276 4.319 1.00 0.00 H new ATOM 66 N GLU p 5 -6.176 18.702 2.175 1.00 0.00 N ATOM 67 CA GLU p 5 -5.250 18.540 1.038 1.00 0.00 C ATOM 68 C GLU p 5 -3.904 17.994 1.469 1.00 0.00 C ATOM 69 O GLU p 5 -3.250 17.289 0.706 1.00 0.00 O ATOM 70 CB GLU p 5 -5.026 19.870 0.313 1.00 0.00 C ATOM 71 CG GLU p 5 -6.238 20.787 0.307 1.00 0.00 C ATOM 72 CD GLU p 5 -6.625 21.244 -1.086 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.110 22.291 -1.531 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.442 20.555 -1.732 1.00 0.00 O ATOM 0 H GLU p 5 -6.412 19.676 2.363 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.721 17.824 0.364 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.192 20.391 0.783 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.734 19.665 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.082 20.268 0.761 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.030 21.660 0.926 1.00 0.00 H new ATOM 81 N LYS p 6 -3.509 18.346 2.687 1.00 0.00 N ATOM 82 CA LYS p 6 -2.243 17.891 3.265 1.00 0.00 C ATOM 83 C LYS p 6 -2.465 16.627 4.076 1.00 0.00 C ATOM 84 O LYS p 6 -1.514 15.979 4.498 1.00 0.00 O ATOM 85 CB LYS p 6 -1.579 18.967 4.110 1.00 0.00 C ATOM 86 CG LYS p 6 -0.632 19.857 3.315 1.00 0.00 C ATOM 87 CD LYS p 6 0.231 20.715 4.227 1.00 0.00 C ATOM 88 CE LYS p 6 1.136 21.638 3.427 1.00 0.00 C ATOM 89 NZ LYS p 6 1.983 22.487 4.308 1.00 0.00 N ATOM 0 H LYS p 6 -4.052 18.952 3.302 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.563 17.671 2.442 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.350 19.586 4.569 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.026 18.493 4.921 1.00 0.00 H new ATOM 0 HG2 LYS p 6 0.007 19.238 2.686 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.209 20.499 2.649 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -0.407 21.307 4.883 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.837 20.073 4.867 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.774 21.043 2.774 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.528 22.275 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.585 23.101 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 1.375 23.074 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.582 21.880 4.903 1.00 0.00 H new ATOM 103 N GLU p 7 -3.747 16.322 4.303 1.00 0.00 N ATOM 104 CA GLU p 7 -4.190 15.106 4.975 1.00 0.00 C ATOM 105 C GLU p 7 -4.363 14.052 3.884 1.00 0.00 C ATOM 106 O GLU p 7 -4.310 12.849 4.122 1.00 0.00 O ATOM 107 CB GLU p 7 -5.503 15.390 5.709 1.00 0.00 C ATOM 108 CG GLU p 7 -6.466 14.218 5.806 1.00 0.00 C ATOM 109 CD GLU p 7 -6.709 13.770 7.233 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.640 14.304 7.872 1.00 0.00 O ATOM 111 OE2 GLU p 7 -5.968 12.886 7.712 1.00 0.00 O ATOM 0 H GLU p 7 -4.516 16.928 4.018 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.476 14.754 5.720 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.269 15.729 6.718 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.010 16.213 5.205 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.417 14.497 5.351 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.071 13.381 5.230 1.00 0.00 H new ATOM 118 N LEU p 8 -4.590 14.600 2.691 1.00 0.00 N ATOM 119 CA LEU p 8 -4.749 13.885 1.445 1.00 0.00 C ATOM 120 C LEU p 8 -3.377 13.832 0.778 1.00 0.00 C ATOM 121 O LEU p 8 -3.126 13.013 -0.101 1.00 0.00 O ATOM 122 CB LEU p 8 -5.796 14.599 0.555 1.00 0.00 C ATOM 123 CG LEU p 8 -6.182 13.928 -0.784 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.368 14.524 -1.918 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.988 12.420 -0.728 1.00 0.00 C ATOM 0 H LEU p 8 -4.671 15.610 2.572 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.115 12.872 1.610 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.706 14.723 1.142 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.421 15.598 0.333 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.240 14.119 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.647 14.045 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.565 15.594 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -4.307 14.361 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.269 11.981 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.942 12.195 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.614 12.002 0.060 1.00 0.00 H new ATOM 137 N ALA p 9 -2.518 14.760 1.224 1.00 0.00 N ATOM 138 CA ALA p 9 -1.120 14.844 0.797 1.00 0.00 C ATOM 139 C ALA p 9 -0.318 14.010 1.776 1.00 0.00 C ATOM 140 O ALA p 9 0.808 13.586 1.505 1.00 0.00 O ATOM 141 CB ALA p 9 -0.588 16.267 0.742 1.00 0.00 C ATOM 0 H ALA p 9 -2.780 15.479 1.898 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.034 14.472 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.453 16.254 0.418 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.180 16.850 0.037 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.655 16.719 1.732 1.00 0.00 H new ATOM 147 N GLN p 10 -0.961 13.799 2.939 1.00 0.00 N ATOM 148 CA GLN p 10 -0.453 12.964 4.003 1.00 0.00 C ATOM 149 C GLN p 10 -0.976 11.568 3.725 1.00 0.00 C ATOM 150 O GLN p 10 -0.344 10.585 4.065 1.00 0.00 O ATOM 151 CB GLN p 10 -0.925 13.498 5.359 1.00 0.00 C ATOM 152 CG GLN p 10 -1.150 12.452 6.438 1.00 0.00 C ATOM 153 CD GLN p 10 -0.143 12.546 7.568 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.362 13.251 8.552 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.969 11.833 7.429 1.00 0.00 N ATOM 0 H GLN p 10 -1.865 14.220 3.154 1.00 0.00 H new ATOM 0 HA GLN p 10 0.636 12.958 4.041 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.189 14.215 5.722 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.856 14.045 5.209 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.155 12.565 6.843 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.096 11.459 5.992 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.108 11.262 6.595 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.684 11.856 8.156 1.00 0.00 H new ATOM 164 N ASN p 11 -2.155 11.554 3.078 1.00 0.00 N ATOM 165 CA ASN p 11 -2.838 10.335 2.629 1.00 0.00 C ATOM 166 C ASN p 11 -2.201 9.935 1.319 1.00 0.00 C ATOM 167 O ASN p 11 -2.314 8.796 0.868 1.00 0.00 O ATOM 168 CB ASN p 11 -4.344 10.543 2.438 1.00 0.00 C ATOM 169 CG ASN p 11 -5.156 9.276 2.668 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.832 8.455 3.529 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.224 9.113 1.894 1.00 0.00 N ATOM 0 H ASN p 11 -2.666 12.407 2.850 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.732 9.559 3.387 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.688 11.317 3.124 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.529 10.908 1.428 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.810 8.285 2.001 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.458 9.816 1.193 1.00 0.00 H new ATOM 178 N GLU p 12 -1.540 10.940 0.722 1.00 0.00 N ATOM 179 CA GLU p 12 -0.771 10.809 -0.467 1.00 0.00 C ATOM 180 C GLU p 12 0.571 10.291 -0.014 1.00 0.00 C ATOM 181 O GLU p 12 1.244 9.554 -0.706 1.00 0.00 O ATOM 182 CB GLU p 12 -0.623 12.178 -1.067 1.00 0.00 C ATOM 183 CG GLU p 12 0.159 12.202 -2.331 1.00 0.00 C ATOM 184 CD GLU p 12 -0.638 12.682 -3.529 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.258 11.835 -4.207 1.00 0.00 O ATOM 186 OE2 GLU p 12 -0.643 13.902 -3.790 1.00 0.00 O ATOM 0 H GLU p 12 -1.544 11.891 1.090 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.220 10.146 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.614 12.589 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.140 12.832 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.027 12.849 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.536 11.200 -2.534 1.00 0.00 H new ATOM 193 N TRP p 13 0.906 10.776 1.178 1.00 0.00 N ATOM 194 CA TRP p 13 2.111 10.406 1.923 1.00 0.00 C ATOM 195 C TRP p 13 1.872 9.063 2.605 1.00 0.00 C ATOM 196 O TRP p 13 2.814 8.406 3.030 1.00 0.00 O ATOM 197 CB TRP p 13 2.484 11.475 2.954 1.00 0.00 C ATOM 198 CG TRP p 13 3.952 11.509 3.280 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.578 10.837 4.291 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.977 12.252 2.598 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.924 11.113 4.281 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.193 11.979 3.253 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.985 13.121 1.499 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.402 12.540 2.847 1.00 0.00 C ATOM 205 CZ3 TRP p 13 6.186 13.676 1.098 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.380 13.383 1.770 1.00 0.00 C ATOM 0 H TRP p 13 0.330 11.459 1.670 1.00 0.00 H new ATOM 0 HA TRP p 13 2.947 10.326 1.228 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.181 12.452 2.578 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.921 11.297 3.870 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.086 10.183 4.996 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.611 10.735 4.933 1.00 0.00 H new ATOM 0 HE3 TRP p 13 4.070 13.353 0.975 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.324 12.317 3.364 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.204 14.347 0.252 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.302 13.832 1.431 1.00 0.00 H new ATOM 217 N GLU p 14 0.576 8.712 2.734 1.00 0.00 N ATOM 218 CA GLU p 14 0.141 7.399 3.259 1.00 0.00 C ATOM 219 C GLU p 14 0.036 6.508 2.061 1.00 0.00 C ATOM 220 O GLU p 14 -0.002 5.284 2.148 1.00 0.00 O ATOM 221 CB GLU p 14 -1.207 7.433 3.967 1.00 0.00 C ATOM 222 CG GLU p 14 -1.241 8.437 5.079 1.00 0.00 C ATOM 223 CD GLU p 14 -1.880 7.909 6.348 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.151 7.343 7.189 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.110 8.063 6.502 1.00 0.00 O ATOM 0 H GLU p 14 -0.196 9.327 2.479 1.00 0.00 H new ATOM 0 HA GLU p 14 0.857 7.058 4.007 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.988 7.668 3.244 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.430 6.444 4.367 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.223 8.758 5.300 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.788 9.319 4.746 1.00 0.00 H new ATOM 232 N LEU p 15 -0.059 7.220 0.942 1.00 0.00 N ATOM 233 CA LEU p 15 -0.086 6.651 -0.394 1.00 0.00 C ATOM 234 C LEU p 15 1.366 6.446 -0.822 1.00 0.00 C ATOM 235 O LEU p 15 1.683 5.517 -1.546 1.00 0.00 O ATOM 236 CB LEU p 15 -0.840 7.574 -1.378 1.00 0.00 C ATOM 237 CG LEU p 15 -1.039 7.082 -2.828 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.075 7.617 -3.709 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.084 5.567 -2.899 1.00 0.00 C ATOM 0 H LEU p 15 -0.121 8.238 0.944 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.621 5.701 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.824 7.777 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.308 8.524 -1.418 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.997 7.458 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.070 7.267 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.060 8.707 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.036 7.262 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.225 5.255 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.147 5.157 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.912 5.199 -2.293 1.00 0.00 H new ATOM 251 N GLN p 16 2.211 7.353 -0.313 1.00 0.00 N ATOM 252 CA GLN p 16 3.677 7.347 -0.507 1.00 0.00 C ATOM 253 C GLN p 16 4.226 6.404 0.506 1.00 0.00 C ATOM 254 O GLN p 16 5.317 5.875 0.370 1.00 0.00 O ATOM 255 CB GLN p 16 4.310 8.718 -0.285 1.00 0.00 C ATOM 256 CG GLN p 16 3.742 9.776 -1.186 1.00 0.00 C ATOM 257 CD GLN p 16 4.801 10.539 -1.960 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.176 10.152 -3.066 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.288 11.629 -1.379 1.00 0.00 N ATOM 0 H GLN p 16 1.891 8.133 0.261 1.00 0.00 H new ATOM 0 HA GLN p 16 3.900 7.058 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.165 9.016 0.753 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.385 8.647 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.052 9.311 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.162 10.479 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.947 11.913 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.003 12.183 -1.851 1.00 0.00 H new ATOM 268 N ALA p 17 3.429 6.297 1.565 1.00 0.00 N ATOM 269 CA ALA p 17 3.662 5.357 2.664 1.00 0.00 C ATOM 270 C ALA p 17 3.061 4.032 2.245 1.00 0.00 C ATOM 271 O ALA p 17 3.342 2.995 2.836 1.00 0.00 O ATOM 272 CB ALA p 17 3.072 5.818 3.988 1.00 0.00 C ATOM 0 H ALA p 17 2.592 6.867 1.688 1.00 0.00 H new ATOM 0 HA ALA p 17 4.734 5.278 2.842 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.281 5.075 4.758 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.518 6.771 4.273 1.00 0.00 H new ATOM 0 HB3 ALA p 17 1.994 5.938 3.884 1.00 0.00 H new ATOM 278 N LEU p 18 2.188 4.125 1.220 1.00 0.00 N ATOM 279 CA LEU p 18 1.566 2.977 0.576 1.00 0.00 C ATOM 280 C LEU p 18 2.510 2.543 -0.541 1.00 0.00 C ATOM 281 O LEU p 18 2.541 1.380 -0.944 1.00 0.00 O ATOM 282 CB LEU p 18 0.175 3.335 0.015 1.00 0.00 C ATOM 283 CG LEU p 18 -0.658 2.202 -0.628 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.452 2.197 -2.132 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.300 0.846 -0.045 1.00 0.00 C ATOM 0 H LEU p 18 1.899 5.018 0.820 1.00 0.00 H new ATOM 0 HA LEU p 18 1.408 2.170 1.292 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.413 3.763 0.827 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.307 4.118 -0.731 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.709 2.391 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.042 1.396 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.769 3.154 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.603 2.037 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.905 0.074 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.756 0.641 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.493 0.849 1.028 1.00 0.00 H new ATOM 297 N GLU p 19 3.261 3.540 -1.027 1.00 0.00 N ATOM 298 CA GLU p 19 4.301 3.345 -2.053 1.00 0.00 C ATOM 299 C GLU p 19 5.542 2.928 -1.325 1.00 0.00 C ATOM 300 O GLU p 19 6.392 2.234 -1.856 1.00 0.00 O ATOM 301 CB GLU p 19 4.616 4.604 -2.859 1.00 0.00 C ATOM 302 CG GLU p 19 3.409 5.217 -3.512 1.00 0.00 C ATOM 303 CD GLU p 19 3.508 5.266 -5.024 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.090 4.288 -5.679 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.004 6.282 -5.554 1.00 0.00 O ATOM 0 H GLU p 19 3.166 4.508 -0.721 1.00 0.00 H new ATOM 0 HA GLU p 19 3.942 2.605 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.077 5.341 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.350 4.360 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.523 4.648 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.272 6.229 -3.130 1.00 0.00 H new ATOM 312 N LYS p 20 5.618 3.455 -0.102 1.00 0.00 N ATOM 313 CA LYS p 20 6.681 3.143 0.857 1.00 0.00 C ATOM 314 C LYS p 20 6.350 1.829 1.553 1.00 0.00 C ATOM 315 O LYS p 20 7.205 1.212 2.185 1.00 0.00 O ATOM 316 CB LYS p 20 6.833 4.253 1.886 1.00 0.00 C ATOM 317 CG LYS p 20 8.234 4.832 1.977 1.00 0.00 C ATOM 318 CD LYS p 20 8.943 4.389 3.246 1.00 0.00 C ATOM 319 CE LYS p 20 10.336 4.989 3.343 1.00 0.00 C ATOM 320 NZ LYS p 20 11.040 4.563 4.583 1.00 0.00 N ATOM 0 H LYS p 20 4.933 4.121 0.256 1.00 0.00 H new ATOM 0 HA LYS p 20 7.626 3.053 0.320 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.136 5.055 1.644 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.547 3.867 2.865 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.814 4.520 1.108 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.181 5.920 1.951 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.356 4.687 4.115 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.012 3.301 3.265 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.921 4.691 2.473 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.265 6.076 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.057 4.760 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.659 5.088 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 10.897 3.544 4.731 1.00 0.00 H new ATOM 334 N GLU p 21 5.066 1.452 1.439 1.00 0.00 N ATOM 335 CA GLU p 21 4.541 0.193 1.928 1.00 0.00 C ATOM 336 C GLU p 21 4.744 -0.775 0.777 1.00 0.00 C ATOM 337 O GLU p 21 4.915 -1.985 0.953 1.00 0.00 O ATOM 338 CB GLU p 21 3.064 0.350 2.300 1.00 0.00 C ATOM 339 CG GLU p 21 2.230 -0.908 2.178 1.00 0.00 C ATOM 340 CD GLU p 21 1.802 -1.467 3.520 1.00 0.00 C ATOM 341 OE1 GLU p 21 0.734 -1.057 4.022 1.00 0.00 O ATOM 342 OE2 GLU p 21 2.535 -2.316 4.070 1.00 0.00 O ATOM 0 H GLU p 21 4.359 2.036 0.992 1.00 0.00 H new ATOM 0 HA GLU p 21 5.037 -0.160 2.832 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.001 0.710 3.327 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.626 1.120 1.665 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.344 -0.693 1.581 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.801 -1.665 1.641 1.00 0.00 H new ATOM 349 N LEU p 22 4.704 -0.167 -0.414 1.00 0.00 N ATOM 350 CA LEU p 22 4.972 -0.843 -1.667 1.00 0.00 C ATOM 351 C LEU p 22 6.485 -0.978 -1.777 1.00 0.00 C ATOM 352 O LEU p 22 7.018 -2.005 -2.206 1.00 0.00 O ATOM 353 CB LEU p 22 4.427 0.017 -2.805 1.00 0.00 C ATOM 354 CG LEU p 22 4.132 -0.654 -4.143 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.504 0.384 -5.039 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.397 -1.202 -4.786 1.00 0.00 C ATOM 0 H LEU p 22 4.481 0.822 -0.525 1.00 0.00 H new ATOM 0 HA LEU p 22 4.501 -1.825 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.505 0.483 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.142 0.820 -2.986 1.00 0.00 H new ATOM 0 HG LEU p 22 3.462 -1.500 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU p 22 3.278 -0.061 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.583 0.749 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.196 1.215 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU p 22 5.147 -1.673 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.100 -0.387 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.851 -1.940 -4.124 1.00 0.00 H new ATOM 368 N ALA p 23 7.144 0.111 -1.365 1.00 0.00 N ATOM 369 CA ALA p 23 8.611 0.195 -1.321 1.00 0.00 C ATOM 370 C ALA p 23 9.146 -0.553 -0.103 1.00 0.00 C ATOM 371 O ALA p 23 10.342 -0.796 0.001 1.00 0.00 O ATOM 372 CB ALA p 23 9.100 1.639 -1.312 1.00 0.00 C ATOM 0 H ALA p 23 6.676 0.961 -1.052 1.00 0.00 H new ATOM 0 HA ALA p 23 8.994 -0.273 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.189 1.654 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.757 2.145 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.703 2.152 -0.436 1.00 0.00 H new ATOM 378 N GLN p 24 8.221 -0.903 0.812 1.00 0.00 N ATOM 379 CA GLN p 24 8.504 -1.655 2.025 1.00 0.00 C ATOM 380 C GLN p 24 8.897 -3.081 1.655 1.00 0.00 C ATOM 381 O GLN p 24 9.688 -3.717 2.333 1.00 0.00 O ATOM 382 CB GLN p 24 7.244 -1.634 2.893 1.00 0.00 C ATOM 383 CG GLN p 24 7.092 -2.799 3.842 1.00 0.00 C ATOM 384 CD GLN p 24 7.303 -2.415 5.294 1.00 0.00 C ATOM 385 OE1 GLN p 24 8.422 -2.467 5.805 1.00 0.00 O ATOM 386 NE2 GLN p 24 6.226 -2.030 5.967 1.00 0.00 N ATOM 0 H GLN p 24 7.235 -0.659 0.715 1.00 0.00 H new ATOM 0 HA GLN p 24 9.332 -1.214 2.580 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.238 -0.711 3.473 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.373 -1.604 2.239 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.096 -3.226 3.726 1.00 0.00 H new ATOM 0 HG3 GLN p 24 7.806 -3.577 3.571 1.00 0.00 H new ATOM 0 HE21 GLN p 24 5.318 -2.002 5.503 1.00 0.00 H new ATOM 0 HE22 GLN p 24 6.306 -1.762 6.948 1.00 0.00 H new ATOM 395 N LEU p 25 8.324 -3.522 0.538 1.00 0.00 N ATOM 396 CA LEU p 25 8.541 -4.839 -0.058 1.00 0.00 C ATOM 397 C LEU p 25 9.916 -4.854 -0.642 1.00 0.00 C ATOM 398 O LEU p 25 10.694 -5.728 -0.378 1.00 0.00 O ATOM 399 CB LEU p 25 7.531 -5.074 -1.175 1.00 0.00 C ATOM 400 CG LEU p 25 6.406 -6.048 -0.888 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.316 -5.383 -0.065 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.858 -6.535 -2.204 1.00 0.00 C ATOM 0 H LEU p 25 7.671 -2.951 0.002 1.00 0.00 H new ATOM 0 HA LEU p 25 8.426 -5.616 0.697 1.00 0.00 H new ATOM 0 HB2 LEU p 25 7.089 -4.114 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU p 25 8.072 -5.429 -2.052 1.00 0.00 H new ATOM 0 HG LEU p 25 6.783 -6.890 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.518 -6.100 0.130 1.00 0.00 H new ATOM 0 HD12 LEU p 25 5.733 -5.039 0.881 1.00 0.00 H new ATOM 0 HD13 LEU p 25 4.913 -4.532 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU p 25 5.046 -7.239 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU p 25 5.482 -5.688 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU p 25 6.649 -7.032 -2.766 1.00 0.00 H new ATOM 414 N GLU p 26 10.147 -3.835 -1.455 1.00 0.00 N ATOM 415 CA GLU p 26 11.423 -3.529 -2.096 1.00 0.00 C ATOM 416 C GLU p 26 12.422 -3.177 -1.009 1.00 0.00 C ATOM 417 O GLU p 26 13.626 -3.138 -1.207 1.00 0.00 O ATOM 418 CB GLU p 26 11.244 -2.357 -3.050 1.00 0.00 C ATOM 419 CG GLU p 26 9.977 -2.452 -3.879 1.00 0.00 C ATOM 420 CD GLU p 26 10.216 -2.202 -5.355 1.00 0.00 C ATOM 421 OE1 GLU p 26 10.493 -3.177 -6.085 1.00 0.00 O ATOM 422 OE2 GLU p 26 10.127 -1.031 -5.781 1.00 0.00 O ATOM 0 H GLU p 26 9.417 -3.165 -1.699 1.00 0.00 H new ATOM 0 HA GLU p 26 11.783 -4.385 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.228 -1.430 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU p 26 12.104 -2.305 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.538 -3.441 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.250 -1.730 -3.507 1.00 0.00 H new ATOM 429 N LYS p 27 11.851 -2.846 0.130 1.00 0.00 N ATOM 430 CA LYS p 27 12.628 -2.595 1.350 1.00 0.00 C ATOM 431 C LYS p 27 12.886 -3.942 2.007 1.00 0.00 C ATOM 432 O LYS p 27 13.858 -4.127 2.744 1.00 0.00 O ATOM 433 CB LYS p 27 11.919 -1.655 2.323 1.00 0.00 C ATOM 434 CG LYS p 27 12.331 -0.192 2.186 1.00 0.00 C ATOM 435 CD LYS p 27 13.537 0.143 3.058 1.00 0.00 C ATOM 436 CE LYS p 27 13.922 1.611 2.951 1.00 0.00 C ATOM 437 NZ LYS p 27 12.952 2.501 3.651 1.00 0.00 N ATOM 0 H LYS p 27 10.843 -2.741 0.248 1.00 0.00 H new ATOM 0 HA LYS p 27 13.559 -2.096 1.081 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.843 -1.734 2.169 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.121 -1.984 3.342 1.00 0.00 H new ATOM 0 HG2 LYS p 27 12.566 0.023 1.144 1.00 0.00 H new ATOM 0 HG3 LYS p 27 11.494 0.449 2.463 1.00 0.00 H new ATOM 0 HD2 LYS p 27 13.313 -0.099 4.097 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.383 -0.477 2.762 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.916 1.756 3.374 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.979 1.894 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 12.703 3.299 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.093 1.963 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 13.382 2.863 4.526 1.00 0.00 H new ATOM 451 N GLU p 28 11.964 -4.872 1.730 1.00 0.00 N ATOM 452 CA GLU p 28 12.089 -6.270 2.194 1.00 0.00 C ATOM 453 C GLU p 28 12.726 -7.105 1.097 1.00 0.00 C ATOM 454 O GLU p 28 13.534 -8.001 1.349 1.00 0.00 O ATOM 455 CB GLU p 28 10.730 -6.901 2.529 1.00 0.00 C ATOM 456 CG GLU p 28 9.868 -6.069 3.443 1.00 0.00 C ATOM 457 CD GLU p 28 9.590 -6.739 4.775 1.00 0.00 C ATOM 458 OE1 GLU p 28 8.601 -7.496 4.863 1.00 0.00 O ATOM 459 OE2 GLU p 28 10.362 -6.506 5.728 1.00 0.00 O ATOM 0 H GLU p 28 11.121 -4.687 1.187 1.00 0.00 H new ATOM 0 HA GLU p 28 12.697 -6.253 3.098 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.187 -7.080 1.601 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.898 -7.873 2.993 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.357 -5.111 3.620 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.922 -5.857 2.946 1.00 0.00 H new ATOM 466 N LEU p 29 12.315 -6.782 -0.126 1.00 0.00 N ATOM 467 CA LEU p 29 12.768 -7.456 -1.332 1.00 0.00 C ATOM 468 C LEU p 29 14.092 -6.925 -1.854 1.00 0.00 C ATOM 469 O LEU p 29 15.024 -7.699 -2.092 1.00 0.00 O ATOM 470 CB LEU p 29 11.709 -7.282 -2.421 1.00 0.00 C ATOM 471 CG LEU p 29 11.338 -8.512 -3.236 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.277 -8.111 -4.232 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.553 -9.082 -3.947 1.00 0.00 C ATOM 0 H LEU p 29 11.647 -6.032 -0.306 1.00 0.00 H new ATOM 0 HA LEU p 29 12.918 -8.505 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.802 -6.902 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.057 -6.513 -3.110 1.00 0.00 H new ATOM 0 HG LEU p 29 10.958 -9.291 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.993 -8.977 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.403 -7.735 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.668 -7.331 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.259 -9.960 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.967 -8.330 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.306 -9.365 -3.211 1.00 0.00 H new ATOM 791 N GLN p 51 3.163 -16.296 -4.517 1.00 0.00 N ATOM 792 CA GLN p 51 2.185 -15.439 -5.200 1.00 0.00 C ATOM 793 C GLN p 51 1.363 -14.584 -4.218 1.00 0.00 C ATOM 794 O GLN p 51 0.653 -13.673 -4.641 1.00 0.00 O ATOM 795 CB GLN p 51 1.252 -16.285 -6.099 1.00 0.00 C ATOM 796 CG GLN p 51 0.556 -17.455 -5.399 1.00 0.00 C ATOM 797 CD GLN p 51 -0.272 -18.295 -6.353 1.00 0.00 C ATOM 798 OE1 GLN p 51 -1.456 -18.032 -6.562 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.349 -19.313 -6.937 1.00 0.00 N ATOM 0 HA GLN p 51 2.750 -14.749 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.490 -15.630 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.835 -16.676 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN p 51 1.306 -18.086 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN p 51 -0.087 -17.070 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN p 51 1.332 -19.495 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.157 -19.913 -7.588 1.00 0.00 H new ATOM 808 N ALA p 52 1.488 -14.869 -2.910 1.00 0.00 N ATOM 809 CA ALA p 52 0.754 -14.147 -1.846 1.00 0.00 C ATOM 810 C ALA p 52 1.132 -12.654 -1.737 1.00 0.00 C ATOM 811 O ALA p 52 0.523 -11.914 -0.969 1.00 0.00 O ATOM 812 CB ALA p 52 0.981 -14.839 -0.508 1.00 0.00 C ATOM 0 H ALA p 52 2.099 -15.605 -2.557 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.301 -14.177 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.440 -14.306 0.274 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.620 -15.866 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.046 -14.841 -0.275 1.00 0.00 H new ATOM 818 N LEU p 53 2.149 -12.246 -2.493 1.00 0.00 N ATOM 819 CA LEU p 53 2.654 -10.894 -2.515 1.00 0.00 C ATOM 820 C LEU p 53 2.023 -10.113 -3.650 1.00 0.00 C ATOM 821 O LEU p 53 1.212 -9.220 -3.435 1.00 0.00 O ATOM 822 CB LEU p 53 4.179 -10.936 -2.663 1.00 0.00 C ATOM 823 CG LEU p 53 4.964 -11.020 -1.359 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.378 -11.521 -1.616 1.00 0.00 C ATOM 825 CD2 LEU p 53 4.991 -9.658 -0.706 1.00 0.00 C ATOM 0 H LEU p 53 2.652 -12.872 -3.122 1.00 0.00 H new ATOM 0 HA LEU p 53 2.397 -10.390 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.443 -11.794 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.499 -10.044 -3.202 1.00 0.00 H new ATOM 0 HG LEU p 53 4.476 -11.729 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.922 -11.574 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.336 -12.512 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.889 -10.836 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.551 -9.713 0.227 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.470 -8.943 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU p 53 3.971 -9.334 -0.498 1.00 0.00 H new ATOM 837 N LYS p 54 2.396 -10.513 -4.865 1.00 0.00 N ATOM 838 CA LYS p 54 1.899 -9.917 -6.125 1.00 0.00 C ATOM 839 C LYS p 54 0.367 -9.974 -6.221 1.00 0.00 C ATOM 840 O LYS p 54 -0.235 -9.306 -7.058 1.00 0.00 O ATOM 841 CB LYS p 54 2.518 -10.635 -7.334 1.00 0.00 C ATOM 842 CG LYS p 54 3.999 -10.330 -7.555 1.00 0.00 C ATOM 843 CD LYS p 54 4.204 -9.059 -8.370 1.00 0.00 C ATOM 844 CE LYS p 54 5.681 -8.760 -8.573 1.00 0.00 C ATOM 845 NZ LYS p 54 5.891 -7.517 -9.365 1.00 0.00 N ATOM 0 H LYS p 54 3.062 -11.271 -5.014 1.00 0.00 H new ATOM 0 HA LYS p 54 2.198 -8.869 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.396 -11.710 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.964 -10.356 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.496 -10.226 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.470 -11.169 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS p 54 3.716 -9.164 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.728 -8.220 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.168 -8.659 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.155 -9.599 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 6.910 -7.348 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 5.448 -7.622 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.461 -6.711 -8.867 1.00 0.00 H new ATOM 859 N LYS p 55 -0.223 -10.797 -5.351 1.00 0.00 N ATOM 860 CA LYS p 55 -1.652 -10.990 -5.242 1.00 0.00 C ATOM 861 C LYS p 55 -2.196 -10.094 -4.149 1.00 0.00 C ATOM 862 O LYS p 55 -3.270 -9.511 -4.294 1.00 0.00 O ATOM 863 CB LYS p 55 -1.972 -12.451 -4.946 1.00 0.00 C ATOM 864 CG LYS p 55 -2.142 -13.304 -6.191 1.00 0.00 C ATOM 865 CD LYS p 55 -2.854 -14.610 -5.879 1.00 0.00 C ATOM 866 CE LYS p 55 -3.086 -15.433 -7.135 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.853 -16.677 -6.852 1.00 0.00 N ATOM 0 H LYS p 55 0.307 -11.361 -4.686 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.124 -10.727 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.174 -12.872 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.886 -12.501 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.709 -12.749 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.165 -13.516 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.262 -15.187 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.810 -14.399 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.626 -14.833 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.126 -15.692 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -4.466 -16.899 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -3.192 -17.464 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.438 -16.539 -6.003 1.00 0.00 H new ATOM 881 N LYS p 56 -1.431 -9.998 -3.046 1.00 0.00 N ATOM 882 CA LYS p 56 -1.801 -9.112 -1.911 1.00 0.00 C ATOM 883 C LYS p 56 -1.506 -7.652 -2.277 1.00 0.00 C ATOM 884 O LYS p 56 -1.926 -6.711 -1.601 1.00 0.00 O ATOM 885 CB LYS p 56 -1.052 -9.492 -0.635 1.00 0.00 C ATOM 886 CG LYS p 56 -1.797 -10.494 0.244 1.00 0.00 C ATOM 887 CD LYS p 56 -2.730 -9.802 1.229 1.00 0.00 C ATOM 888 CE LYS p 56 -3.477 -10.807 2.092 1.00 0.00 C ATOM 889 NZ LYS p 56 -4.408 -10.143 3.043 1.00 0.00 N ATOM 0 H LYS p 56 -0.562 -10.514 -2.911 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.867 -9.235 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.083 -9.911 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.859 -8.589 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.373 -11.172 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.077 -11.102 0.792 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -2.154 -9.131 1.866 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -3.446 -9.187 0.683 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.038 -11.488 1.452 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.760 -11.410 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -4.896 -10.864 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -3.871 -9.512 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -5.109 -9.588 2.512 1.00 0.00 H new ATOM 903 N LEU p 57 -0.762 -7.529 -3.374 1.00 0.00 N ATOM 904 CA LEU p 57 -0.346 -6.286 -3.987 1.00 0.00 C ATOM 905 C LEU p 57 -1.366 -5.953 -5.034 1.00 0.00 C ATOM 906 O LEU p 57 -1.790 -4.813 -5.183 1.00 0.00 O ATOM 907 CB LEU p 57 1.013 -6.465 -4.653 1.00 0.00 C ATOM 908 CG LEU p 57 2.237 -5.965 -3.892 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.367 -6.649 -2.537 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.458 -6.227 -4.744 1.00 0.00 C ATOM 0 H LEU p 57 -0.418 -8.344 -3.881 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.266 -5.495 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.152 -7.527 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.985 -5.958 -5.617 1.00 0.00 H new ATOM 0 HG LEU p 57 2.135 -4.897 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.249 -6.270 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.480 -6.442 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.465 -7.725 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.348 -5.878 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.546 -7.297 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.362 -5.696 -5.691 1.00 0.00 H new ATOM 922 N ALA p 58 -1.724 -7.007 -5.779 1.00 0.00 N ATOM 923 CA ALA p 58 -2.775 -6.920 -6.816 1.00 0.00 C ATOM 924 C ALA p 58 -4.141 -6.695 -6.159 1.00 0.00 C ATOM 925 O ALA p 58 -5.108 -6.309 -6.817 1.00 0.00 O ATOM 926 CB ALA p 58 -2.808 -8.165 -7.686 1.00 0.00 C ATOM 0 H ALA p 58 -1.305 -7.932 -5.687 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.541 -6.073 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.593 -8.064 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.845 -8.288 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.010 -9.038 -7.065 1.00 0.00 H new ATOM 932 N GLN p 59 -4.179 -6.963 -4.846 1.00 0.00 N ATOM 933 CA GLN p 59 -5.333 -6.772 -4.006 1.00 0.00 C ATOM 934 C GLN p 59 -5.204 -5.399 -3.344 1.00 0.00 C ATOM 935 O GLN p 59 -6.189 -4.785 -2.960 1.00 0.00 O ATOM 936 CB GLN p 59 -5.348 -7.900 -2.968 1.00 0.00 C ATOM 937 CG GLN p 59 -6.166 -7.611 -1.732 1.00 0.00 C ATOM 938 CD GLN p 59 -7.234 -8.652 -1.466 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.368 -8.528 -1.931 1.00 0.00 O ATOM 940 NE2 GLN p 59 -6.878 -9.687 -0.715 1.00 0.00 N ATOM 0 H GLN p 59 -3.373 -7.330 -4.339 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.267 -6.803 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.734 -8.804 -3.439 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.322 -8.111 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.502 -7.553 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.638 -6.634 -1.837 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -5.927 -9.750 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.555 -10.420 -0.503 1.00 0.00 H new ATOM 949 N LEU p 60 -3.942 -4.974 -3.224 1.00 0.00 N ATOM 950 CA LEU p 60 -3.535 -3.683 -2.652 1.00 0.00 C ATOM 951 C LEU p 60 -3.763 -2.564 -3.667 1.00 0.00 C ATOM 952 O LEU p 60 -4.138 -1.447 -3.335 1.00 0.00 O ATOM 953 CB LEU p 60 -2.045 -3.774 -2.311 1.00 0.00 C ATOM 954 CG LEU p 60 -1.396 -2.539 -1.697 1.00 0.00 C ATOM 955 CD1 LEU p 60 -2.057 -2.201 -0.381 1.00 0.00 C ATOM 956 CD2 LEU p 60 0.087 -2.788 -1.529 1.00 0.00 C ATOM 0 H LEU p 60 -3.149 -5.536 -3.532 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.122 -3.462 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.906 -4.607 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.504 -4.022 -3.224 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.529 -1.682 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.584 -1.317 0.047 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -3.116 -2.002 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.948 -3.040 0.307 1.00 0.00 H new ATOM 0 HD21 LEU p 60 0.556 -1.908 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU p 60 0.240 -3.645 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU p 60 0.534 -2.991 -2.502 1.00 0.00 H new ATOM 968 N LYS p 61 -3.436 -2.935 -4.887 1.00 0.00 N ATOM 969 CA LYS p 61 -3.570 -2.157 -6.107 1.00 0.00 C ATOM 970 C LYS p 61 -5.041 -2.095 -6.465 1.00 0.00 C ATOM 971 O LYS p 61 -5.529 -1.124 -7.049 1.00 0.00 O ATOM 972 CB LYS p 61 -2.766 -2.826 -7.225 1.00 0.00 C ATOM 973 CG LYS p 61 -1.445 -2.137 -7.521 1.00 0.00 C ATOM 974 CD LYS p 61 -0.827 -2.640 -8.816 1.00 0.00 C ATOM 975 CE LYS p 61 0.491 -1.944 -9.110 1.00 0.00 C ATOM 976 NZ LYS p 61 1.101 -2.422 -10.382 1.00 0.00 N ATOM 0 H LYS p 61 -3.040 -3.857 -5.068 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.186 -1.146 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.572 -3.863 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.368 -2.844 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.603 -1.060 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.753 -2.308 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.665 -3.716 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.520 -2.473 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.328 -0.868 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.185 -2.118 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 1.998 -1.923 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 1.280 -3.444 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.451 -2.233 -11.171 1.00 0.00 H new ATOM 990 N TRP p 62 -5.722 -3.184 -6.088 1.00 0.00 N ATOM 991 CA TRP p 62 -7.164 -3.314 -6.234 1.00 0.00 C ATOM 992 C TRP p 62 -7.783 -2.536 -5.095 1.00 0.00 C ATOM 993 O TRP p 62 -8.872 -1.973 -5.216 1.00 0.00 O ATOM 994 CB TRP p 62 -7.600 -4.776 -6.181 1.00 0.00 C ATOM 995 CG TRP p 62 -8.632 -5.126 -7.214 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.984 -5.171 -7.034 1.00 0.00 C ATOM 997 CD2 TRP p 62 -8.399 -5.477 -8.589 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.607 -5.528 -8.205 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.657 -5.721 -9.174 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -7.252 -5.608 -9.384 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -9.799 -6.086 -10.510 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -7.397 -5.971 -10.709 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -8.662 -6.206 -11.260 1.00 0.00 C ATOM 0 H TRP p 62 -5.278 -4.002 -5.671 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.486 -2.929 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.727 -5.414 -6.319 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -7.999 -4.993 -5.190 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.491 -4.957 -6.105 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.614 -5.633 -8.333 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -6.272 -5.428 -8.968 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -10.773 -6.268 -10.939 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -6.520 -6.075 -11.330 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -8.742 -6.488 -12.299 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.039 -2.530 -3.976 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.418 -1.755 -2.791 1.00 0.00 C ATOM 1016 C LYS p 63 -6.978 -0.299 -2.967 1.00 0.00 C ATOM 1017 O LYS p 63 -7.400 0.578 -2.217 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.808 -2.335 -1.517 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.693 -3.362 -0.830 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.183 -3.700 0.561 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.070 -4.730 1.241 1.00 0.00 C ATOM 1022 NZ LYS p 63 -7.574 -5.081 2.601 1.00 0.00 N ATOM 0 H LYS p 63 -6.171 -3.055 -3.871 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.502 -1.804 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.851 -2.797 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.601 -1.522 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.711 -2.978 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.734 -4.269 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.164 -4.082 0.494 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.144 -2.794 1.166 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.086 -4.342 1.314 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.116 -5.630 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.207 -5.786 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -6.614 -5.475 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -7.554 -4.227 3.194 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.097 -0.086 -3.962 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.561 1.222 -4.339 1.00 0.00 C ATOM 1038 C LEU p 64 -6.530 1.957 -5.260 1.00 0.00 C ATOM 1039 O LEU p 64 -6.609 3.177 -5.275 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.223 0.997 -5.055 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.677 2.157 -5.882 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.300 3.293 -4.972 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.503 1.691 -6.716 1.00 0.00 C ATOM 0 H LEU p 64 -5.732 -0.845 -4.538 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.419 1.834 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.477 0.735 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.331 0.134 -5.712 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.445 2.516 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.910 4.120 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.180 3.625 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.536 2.959 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.120 2.526 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -1.717 1.317 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -2.826 0.894 -7.386 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.185 1.141 -6.048 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.209 1.488 -7.005 1.00 0.00 C ATOM 1057 C GLN p 65 -9.515 1.595 -6.230 1.00 0.00 C ATOM 1058 O GLN p 65 -10.494 2.175 -6.684 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.249 0.374 -8.060 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.583 0.200 -8.754 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.466 0.131 -10.264 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.526 1.150 -10.951 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.299 -1.078 -10.789 1.00 0.00 N ATOM 0 H GLN p 65 -7.002 0.138 -6.037 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.025 2.433 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.488 0.580 -8.813 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.979 -0.568 -7.583 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.058 -0.711 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.237 1.030 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.255 -1.896 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.215 -1.188 -11.800 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.455 0.983 -5.050 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.530 0.966 -4.062 1.00 0.00 C ATOM 1074 C ALA p 66 -10.251 2.101 -3.102 1.00 0.00 C ATOM 1075 O ALA p 66 -11.128 2.565 -2.381 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.597 -0.361 -3.323 1.00 0.00 C ATOM 0 H ALA p 66 -8.629 0.468 -4.745 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.496 1.088 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.410 -0.333 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.775 -1.166 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.654 -0.537 -2.805 1.00 0.00 H new ATOM 1082 N LEU p 67 -8.968 2.501 -3.123 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.434 3.626 -2.367 1.00 0.00 C ATOM 1084 C LEU p 67 -8.670 4.861 -3.229 1.00 0.00 C ATOM 1085 O LEU p 67 -9.054 5.918 -2.747 1.00 0.00 O ATOM 1086 CB LEU p 67 -6.923 3.400 -2.103 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.120 4.454 -1.292 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -4.955 4.946 -2.128 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -6.973 5.630 -0.863 1.00 0.00 C ATOM 0 H LEU p 67 -8.260 2.030 -3.686 1.00 0.00 H new ATOM 0 HA LEU p 67 -8.915 3.741 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -6.821 2.445 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.435 3.293 -3.072 1.00 0.00 H new ATOM 0 HG LEU p 67 -5.762 3.969 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.388 5.686 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.307 4.106 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.331 5.400 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.363 6.336 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.380 6.125 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -7.791 5.276 -0.235 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.434 4.656 -4.519 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.648 5.666 -5.559 1.00 0.00 C ATOM 1103 C LYS p 68 -10.135 5.788 -5.801 1.00 0.00 C ATOM 1104 O LYS p 68 -10.630 6.847 -6.191 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.919 5.330 -6.859 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.458 5.748 -6.867 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.793 5.417 -8.193 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.343 5.873 -8.219 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.684 5.548 -9.514 1.00 0.00 N ATOM 0 H LYS p 68 -8.083 3.770 -4.882 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.235 6.614 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.981 4.256 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.431 5.817 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.384 6.819 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.930 5.244 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.840 4.342 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.340 5.895 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.297 6.948 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.798 5.397 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.697 5.875 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.705 4.519 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.189 6.023 -10.289 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.837 4.664 -5.575 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.294 4.642 -5.649 1.00 0.00 C ATOM 1125 C LYS p 69 -12.822 5.246 -4.359 1.00 0.00 C ATOM 1126 O LYS p 69 -13.903 5.814 -4.328 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.831 3.226 -5.835 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.454 2.968 -7.199 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.954 3.226 -7.195 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.570 2.949 -8.557 1.00 0.00 C ATOM 1131 NZ LYS p 69 -17.041 3.178 -8.557 1.00 0.00 N ATOM 0 H LYS p 69 -10.414 3.766 -5.341 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.627 5.215 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.017 2.518 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.576 3.028 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.978 3.607 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.264 1.937 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.431 2.596 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.146 4.261 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.103 3.590 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.363 1.919 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.423 2.978 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.490 2.548 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.238 4.168 -8.306 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.979 5.125 -3.314 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.227 5.680 -1.985 1.00 0.00 C ATOM 1147 C LYS p 70 -11.741 7.112 -1.980 1.00 0.00 C ATOM 1148 O LYS p 70 -12.106 7.901 -1.118 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.500 4.883 -0.908 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.418 4.238 0.121 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.265 4.881 1.489 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.168 4.222 2.519 1.00 0.00 C ATOM 1153 NZ LYS p 70 -13.018 4.838 3.866 1.00 0.00 N ATOM 0 H LYS p 70 -11.091 4.627 -3.380 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.293 5.631 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.907 4.104 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.803 5.543 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.453 4.325 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.195 3.173 0.192 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.227 4.806 1.813 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.502 5.943 1.422 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.206 4.303 2.196 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -12.935 3.159 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -13.651 4.360 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -12.033 4.738 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -13.265 5.847 3.816 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.858 7.392 -2.953 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.334 8.732 -3.208 1.00 0.00 C ATOM 1169 C ASN p 71 -11.324 9.400 -4.157 1.00 0.00 C ATOM 1170 O ASN p 71 -11.286 10.602 -4.389 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.934 8.696 -3.828 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.141 9.962 -3.552 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.427 10.057 -2.555 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -8.265 10.943 -4.439 1.00 0.00 N ATOM 0 H ASN p 71 -10.488 6.684 -3.587 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.231 9.283 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.389 7.837 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -9.021 8.554 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.757 11.817 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.868 10.822 -5.252 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.181 8.524 -4.711 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.284 8.864 -5.592 1.00 0.00 C ATOM 1183 C ALA p 72 -14.510 9.020 -4.716 1.00 0.00 C ATOM 1184 O ALA p 72 -15.465 9.703 -5.069 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.505 7.792 -6.647 1.00 0.00 C ATOM 0 H ALA p 72 -12.111 7.521 -4.542 1.00 0.00 H new ATOM 0 HA ALA p 72 -13.069 9.786 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.338 8.079 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.603 7.683 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.732 6.844 -6.160 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.437 8.327 -3.561 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.441 8.374 -2.506 1.00 0.00 C ATOM 1193 C GLN p 73 -15.094 9.552 -1.652 1.00 0.00 C ATOM 1194 O GLN p 73 -15.936 10.156 -1.002 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.393 7.128 -1.648 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.687 5.874 -2.417 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.894 5.119 -1.896 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.775 4.263 -1.019 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.066 5.432 -2.436 1.00 0.00 N ATOM 0 H GLN p 73 -13.656 7.708 -3.342 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.439 8.445 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.406 7.045 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.112 7.226 -0.835 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.851 6.128 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -14.815 5.221 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.119 6.148 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.914 4.956 -2.126 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.785 9.798 -1.654 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.167 10.934 -0.978 1.00 0.00 C ATOM 1210 C LEU p 74 -13.327 12.151 -1.870 1.00 0.00 C ATOM 1211 O LEU p 74 -13.429 13.258 -1.403 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.690 10.670 -0.716 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.022 11.496 0.385 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.366 10.967 1.774 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.528 11.472 0.158 1.00 0.00 C ATOM 0 H LEU p 74 -13.113 9.201 -2.135 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.650 11.098 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.573 9.615 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.145 10.840 -1.645 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.392 12.520 0.339 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.873 11.579 2.529 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.445 11.008 1.922 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.026 9.935 1.865 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.033 12.056 0.934 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.171 10.443 0.195 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.301 11.900 -0.819 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.364 11.889 -3.172 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.583 12.907 -4.195 1.00 0.00 C ATOM 1229 C LYS p 75 -15.073 13.120 -4.271 1.00 0.00 C ATOM 1230 O LYS p 75 -15.564 14.145 -4.753 1.00 0.00 O ATOM 1231 CB LYS p 75 -13.053 12.448 -5.548 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.985 13.350 -6.143 1.00 0.00 C ATOM 1233 CD LYS p 75 -12.536 14.192 -7.283 1.00 0.00 C ATOM 1234 CE LYS p 75 -11.461 15.082 -7.887 1.00 0.00 C ATOM 1235 NZ LYS p 75 -11.990 15.911 -9.005 1.00 0.00 N ATOM 0 H LYS p 75 -13.241 10.951 -3.552 1.00 0.00 H new ATOM 0 HA LYS p 75 -13.056 13.827 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.645 11.443 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.886 12.382 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.586 14.003 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -11.156 12.743 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.945 13.539 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -13.358 14.808 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -11.052 15.733 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -10.640 14.464 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -11.226 16.503 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -12.357 15.290 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -12.757 16.520 -8.653 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.772 12.095 -3.767 1.00 0.00 N ATOM 1250 CA LYS p 76 -17.224 12.111 -3.667 1.00 0.00 C ATOM 1251 C LYS p 76 -17.593 12.716 -2.333 1.00 0.00 C ATOM 1252 O LYS p 76 -18.634 13.364 -2.190 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.799 10.708 -3.794 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.453 10.422 -5.137 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.952 10.696 -5.107 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.613 10.385 -6.442 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.707 8.918 -6.696 1.00 0.00 N ATOM 0 H LYS p 76 -15.342 11.237 -3.420 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.642 12.704 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -17.001 9.984 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.535 10.556 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.987 11.037 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.279 9.382 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.415 10.095 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -20.125 11.741 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -21.612 10.820 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.045 10.855 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.194 8.753 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -19.751 8.511 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.242 8.466 -5.927 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.709 12.485 -1.355 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.871 13.049 -0.023 1.00 0.00 C ATOM 1273 C LYS p 77 -16.236 14.433 0.037 1.00 0.00 C ATOM 1274 O LYS p 77 -16.543 15.227 0.932 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.252 12.138 1.033 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.267 11.328 1.829 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.712 12.059 3.091 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.698 11.233 3.906 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.038 10.089 4.599 1.00 0.00 N ATOM 0 H LYS p 77 -15.875 11.909 -1.468 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.937 13.136 0.187 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.559 11.453 0.545 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.667 12.745 1.723 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.136 11.120 1.204 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -16.832 10.366 2.101 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.840 12.292 3.703 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.172 13.009 2.818 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.182 11.873 4.644 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.482 10.855 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.744 9.565 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -17.613 9.454 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.296 10.448 5.233 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.338 14.706 -0.929 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.657 16.005 -1.031 1.00 0.00 C ATOM 1295 C LEU p 78 -15.639 17.171 -1.144 1.00 0.00 C ATOM 1296 O LEU p 78 -15.662 18.073 -0.302 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.742 16.000 -2.260 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.239 16.020 -1.988 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.483 15.767 -3.277 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.825 17.350 -1.387 1.00 0.00 C ATOM 0 H LEU p 78 -15.068 14.039 -1.652 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.081 16.146 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.970 15.114 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.990 16.866 -2.874 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.999 15.233 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.411 15.782 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.764 14.794 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.729 16.543 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.751 17.346 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -12.070 18.155 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.356 17.506 -0.448 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.436 17.118 -2.199 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.459 18.116 -2.490 1.00 0.00 C ATOM 1314 C GLN p 79 -18.791 17.766 -1.828 1.00 0.00 C ATOM 1315 O GLN p 79 -19.469 18.631 -1.269 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.640 18.260 -4.011 1.00 0.00 C ATOM 1317 CG GLN p 79 -17.514 16.964 -4.813 1.00 0.00 C ATOM 1318 CD GLN p 79 -17.715 17.179 -6.300 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -18.834 17.089 -6.807 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -16.629 17.465 -7.010 1.00 0.00 N ATOM 0 H GLN p 79 -16.391 16.369 -2.890 1.00 0.00 H new ATOM 0 HA GLN p 79 -17.125 19.068 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -18.622 18.692 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.901 18.970 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -16.529 16.529 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -18.248 16.244 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -15.721 17.530 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -16.703 17.620 -8.015 1.00 0.00 H new ATOM 1329 N ALA p 80 -19.137 16.475 -1.903 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.384 15.909 -1.332 1.00 0.00 C ATOM 1331 C ALA p 80 -21.643 16.538 -1.943 1.00 0.00 C ATOM 1332 O ALA p 80 -21.887 17.742 -1.707 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.405 16.023 0.195 1.00 0.00 C ATOM 1334 OXT ALA p 80 -22.374 15.816 -2.654 1.00 0.00 O ATOM 0 H ALA p 80 -18.556 15.777 -2.367 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.392 14.851 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.333 15.599 0.579 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.557 15.479 0.612 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.340 17.072 0.482 1.00 0.00 H new