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 51 GLN : amide:sc= -1.85 K(o=-2.5,f=0.55) USER MOD Set 1.2: p 55 LYS NZ :NH3+ -165:sc= -0.651 (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= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : p 20 LYS NZ :NH3+ -138:sc= -0.0306 (180deg=-2.1) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 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= -0.415 K(o=-0.41,f=0.26) USER MOD Single : p 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000739) 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 X(o=0,f=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00223) 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 -5.510 21.110 6.298 1.00 0.00 N ATOM 38 CA ALA p 3 -6.077 20.181 7.279 1.00 0.00 C ATOM 39 C ALA p 3 -6.587 18.902 6.638 1.00 0.00 C ATOM 40 O ALA p 3 -6.412 17.816 7.175 1.00 0.00 O ATOM 41 CB ALA p 3 -7.185 20.864 8.074 1.00 0.00 C ATOM 0 HA ALA p 3 -5.273 19.896 7.958 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.598 20.163 8.799 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.777 21.729 8.597 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.973 21.189 7.395 1.00 0.00 H new ATOM 47 N LEU p 4 -7.270 19.087 5.518 1.00 0.00 N ATOM 48 CA LEU p 4 -7.879 18.029 4.742 1.00 0.00 C ATOM 49 C LEU p 4 -6.964 17.609 3.602 1.00 0.00 C ATOM 50 O LEU p 4 -6.668 16.432 3.421 1.00 0.00 O ATOM 51 CB LEU p 4 -9.264 18.508 4.228 1.00 0.00 C ATOM 52 CG LEU p 4 -10.171 17.466 3.535 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.904 17.441 2.040 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.977 16.079 4.131 1.00 0.00 C ATOM 0 H LEU p 4 -7.418 20.012 5.115 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.030 17.150 5.368 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.812 18.920 5.075 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.097 19.327 3.528 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.207 17.761 3.703 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.551 16.702 1.567 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.108 18.425 1.618 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.861 17.178 1.861 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.629 15.370 3.622 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.939 15.771 4.006 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.224 16.101 5.192 1.00 0.00 H new ATOM 66 N GLU p 5 -6.538 18.622 2.850 1.00 0.00 N ATOM 67 CA GLU p 5 -5.662 18.471 1.671 1.00 0.00 C ATOM 68 C GLU p 5 -4.271 18.001 2.042 1.00 0.00 C ATOM 69 O GLU p 5 -3.626 17.305 1.264 1.00 0.00 O ATOM 70 CB GLU p 5 -5.541 19.792 0.903 1.00 0.00 C ATOM 71 CG GLU p 5 -6.798 20.643 0.931 1.00 0.00 C ATOM 72 CD GLU p 5 -7.277 21.032 -0.454 1.00 0.00 C ATOM 73 OE1 GLU p 5 -8.043 20.252 -1.058 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.884 22.116 -0.936 1.00 0.00 O ATOM 0 H GLU p 5 -6.792 19.592 3.039 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.130 17.714 1.043 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.716 20.368 1.321 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.285 19.575 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.590 20.096 1.444 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.607 21.546 1.511 1.00 0.00 H new ATOM 81 N LYS p 6 -3.830 18.402 3.229 1.00 0.00 N ATOM 82 CA LYS p 6 -2.513 18.020 3.748 1.00 0.00 C ATOM 83 C LYS p 6 -2.632 16.761 4.588 1.00 0.00 C ATOM 84 O LYS p 6 -1.631 16.163 4.964 1.00 0.00 O ATOM 85 CB LYS p 6 -1.863 19.137 4.548 1.00 0.00 C ATOM 86 CG LYS p 6 -0.955 20.035 3.715 1.00 0.00 C ATOM 87 CD LYS p 6 0.025 20.809 4.584 1.00 0.00 C ATOM 88 CE LYS p 6 1.035 21.570 3.738 1.00 0.00 C ATOM 89 NZ LYS p 6 2.133 22.142 4.565 1.00 0.00 N ATOM 0 H LYS p 6 -4.368 18.997 3.859 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.866 17.824 2.893 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.643 19.746 5.005 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.282 18.700 5.360 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.403 19.428 2.997 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.563 20.734 3.141 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -0.521 21.508 5.218 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.549 20.120 5.247 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.456 20.902 2.987 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.528 22.373 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.800 22.652 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 1.734 22.799 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.633 21.374 5.057 1.00 0.00 H new ATOM 103 N GLU p 7 -3.884 16.404 4.893 1.00 0.00 N ATOM 104 CA GLU p 7 -4.234 15.184 5.608 1.00 0.00 C ATOM 105 C GLU p 7 -4.418 14.104 4.549 1.00 0.00 C ATOM 106 O GLU p 7 -4.298 12.912 4.807 1.00 0.00 O ATOM 107 CB GLU p 7 -5.518 15.423 6.409 1.00 0.00 C ATOM 108 CG GLU p 7 -6.417 14.211 6.581 1.00 0.00 C ATOM 109 CD GLU p 7 -6.571 13.792 8.030 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.496 14.299 8.700 1.00 0.00 O ATOM 111 OE2 GLU p 7 -5.769 12.955 8.495 1.00 0.00 O ATOM 0 H GLU p 7 -4.695 16.970 4.642 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.465 14.879 6.318 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.245 15.794 7.397 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.090 16.211 5.919 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.400 14.432 6.165 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.009 13.378 6.008 1.00 0.00 H new ATOM 118 N LEU p 8 -4.730 14.616 3.360 1.00 0.00 N ATOM 119 CA LEU p 8 -4.921 13.869 2.140 1.00 0.00 C ATOM 120 C LEU p 8 -3.587 13.857 1.404 1.00 0.00 C ATOM 121 O LEU p 8 -3.352 13.033 0.528 1.00 0.00 O ATOM 122 CB LEU p 8 -6.039 14.515 1.284 1.00 0.00 C ATOM 123 CG LEU p 8 -6.449 13.794 -0.022 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.680 14.366 -1.201 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.219 12.294 0.081 1.00 0.00 C ATOM 0 H LEU p 8 -4.861 15.619 3.226 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.237 12.847 2.350 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.927 14.610 1.908 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.722 15.525 1.025 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.515 13.960 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.977 13.850 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.899 15.429 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -4.611 14.229 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.517 11.815 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -5.163 12.100 0.268 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.813 11.890 0.901 1.00 0.00 H new ATOM 137 N ALA p 9 -2.746 14.829 1.784 1.00 0.00 N ATOM 138 CA ALA p 9 -1.382 14.965 1.274 1.00 0.00 C ATOM 139 C ALA p 9 -0.477 14.203 2.222 1.00 0.00 C ATOM 140 O ALA p 9 0.653 13.855 1.892 1.00 0.00 O ATOM 141 CB ALA p 9 -0.929 16.411 1.148 1.00 0.00 C ATOM 0 H ALA p 9 -3.000 15.548 2.461 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.339 14.562 0.262 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.091 16.441 0.764 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.590 16.941 0.462 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.963 16.889 2.127 1.00 0.00 H new ATOM 147 N GLN p 10 -1.031 13.985 3.428 1.00 0.00 N ATOM 148 CA GLN p 10 -0.409 13.205 4.486 1.00 0.00 C ATOM 149 C GLN p 10 -0.937 11.788 4.336 1.00 0.00 C ATOM 150 O GLN p 10 -0.339 10.827 4.809 1.00 0.00 O ATOM 151 CB GLN p 10 -0.751 13.813 5.853 1.00 0.00 C ATOM 152 CG GLN p 10 -0.906 12.823 6.998 1.00 0.00 C ATOM 153 CD GLN p 10 0.066 13.077 8.133 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.231 13.825 9.065 1.00 0.00 O ATOM 155 NE2 GLN p 10 1.237 12.454 8.061 1.00 0.00 N ATOM 0 H GLN p 10 -1.943 14.359 3.689 1.00 0.00 H new ATOM 0 HA GLN p 10 0.679 13.205 4.416 1.00 0.00 H new ATOM 0 HB2 GLN p 10 0.029 14.526 6.118 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.679 14.377 5.757 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.925 12.875 7.381 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.759 11.812 6.620 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.442 11.843 7.271 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.931 12.587 8.796 1.00 0.00 H new ATOM 164 N ASN p 11 -2.103 11.727 3.680 1.00 0.00 N ATOM 165 CA ASN p 11 -2.781 10.480 3.328 1.00 0.00 C ATOM 166 C ASN p 11 -2.208 10.046 1.991 1.00 0.00 C ATOM 167 O ASN p 11 -2.275 8.879 1.604 1.00 0.00 O ATOM 168 CB ASN p 11 -4.300 10.634 3.219 1.00 0.00 C ATOM 169 CG ASN p 11 -5.056 9.353 3.550 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.650 8.576 4.418 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.164 9.129 2.854 1.00 0.00 N ATOM 0 H ASN p 11 -2.608 12.559 3.375 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.614 9.743 4.113 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.628 11.427 3.892 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.556 10.949 2.207 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.715 8.288 3.028 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.465 9.798 2.145 1.00 0.00 H new ATOM 178 N GLU p 12 -1.647 11.057 1.303 1.00 0.00 N ATOM 179 CA GLU p 12 -0.966 10.923 0.056 1.00 0.00 C ATOM 180 C GLU p 12 0.455 10.541 0.386 1.00 0.00 C ATOM 181 O GLU p 12 1.091 9.794 -0.322 1.00 0.00 O ATOM 182 CB GLU p 12 -0.988 12.269 -0.613 1.00 0.00 C ATOM 183 CG GLU p 12 -0.394 12.277 -1.975 1.00 0.00 C ATOM 184 CD GLU p 12 -1.392 12.601 -3.069 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.554 13.797 -3.389 1.00 0.00 O ATOM 186 OE2 GLU p 12 -2.012 11.658 -3.605 1.00 0.00 O ATOM 0 H GLU p 12 -1.671 12.020 1.637 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.421 10.179 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -2.020 12.615 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.450 12.982 0.011 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.415 13.006 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.048 11.301 -2.175 1.00 0.00 H new ATOM 193 N TRP p 13 0.903 11.149 1.480 1.00 0.00 N ATOM 194 CA TRP p 13 2.223 10.916 2.079 1.00 0.00 C ATOM 195 C TRP p 13 2.170 9.617 2.865 1.00 0.00 C ATOM 196 O TRP p 13 3.199 9.064 3.235 1.00 0.00 O ATOM 197 CB TRP p 13 2.644 12.066 2.997 1.00 0.00 C ATOM 198 CG TRP p 13 4.130 12.291 3.032 1.00 0.00 C ATOM 199 CD1 TRP p 13 5.017 11.733 3.906 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.901 13.132 2.158 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.289 12.172 3.633 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.245 13.029 2.566 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.590 13.959 1.071 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.273 13.721 1.928 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.611 14.644 0.440 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.938 14.522 0.870 1.00 0.00 C ATOM 0 H TRP p 13 0.348 11.835 1.991 1.00 0.00 H new ATOM 0 HA TRP p 13 2.964 10.854 1.282 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.153 12.982 2.668 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.291 11.861 4.008 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.756 11.046 4.697 1.00 0.00 H new ATOM 0 HE1 TRP p 13 7.131 11.903 4.143 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.570 14.060 0.732 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.298 13.628 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.382 15.284 -0.399 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.713 15.071 0.356 1.00 0.00 H new ATOM 217 N GLU p 14 0.925 9.186 3.137 1.00 0.00 N ATOM 218 CA GLU p 14 0.607 7.942 3.781 1.00 0.00 C ATOM 219 C GLU p 14 0.544 6.899 2.688 1.00 0.00 C ATOM 220 O GLU p 14 0.758 5.713 2.900 1.00 0.00 O ATOM 221 CB GLU p 14 -0.753 8.104 4.398 1.00 0.00 C ATOM 222 CG GLU p 14 -1.246 6.891 5.103 1.00 0.00 C ATOM 223 CD GLU p 14 -1.514 7.112 6.578 1.00 0.00 C ATOM 224 OE1 GLU p 14 -0.583 6.914 7.387 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.654 7.485 6.925 1.00 0.00 O ATOM 0 H GLU p 14 0.096 9.730 2.897 1.00 0.00 H new ATOM 0 HA GLU p 14 1.333 7.658 4.542 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -0.724 8.935 5.103 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.465 8.373 3.618 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -2.163 6.550 4.623 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -0.512 6.093 4.991 1.00 0.00 H new ATOM 232 N LEU p 15 0.142 7.436 1.545 1.00 0.00 N ATOM 233 CA LEU p 15 0.033 6.749 0.268 1.00 0.00 C ATOM 234 C LEU p 15 1.441 6.613 -0.304 1.00 0.00 C ATOM 235 O LEU p 15 1.784 5.618 -0.930 1.00 0.00 O ATOM 236 CB LEU p 15 -0.837 7.593 -0.662 1.00 0.00 C ATOM 237 CG LEU p 15 -1.513 6.914 -1.853 1.00 0.00 C ATOM 238 CD1 LEU p 15 -2.293 7.972 -2.593 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.508 6.265 -2.792 1.00 0.00 C ATOM 0 H LEU p 15 -0.132 8.417 1.481 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.418 5.763 0.379 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.618 8.053 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.218 8.401 -1.050 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.162 6.118 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -2.791 7.523 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -3.039 8.406 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU p 15 -1.613 8.753 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.036 5.796 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.173 7.024 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU p 15 0.061 5.509 -2.250 1.00 0.00 H new ATOM 251 N GLN p 16 2.210 7.688 -0.084 1.00 0.00 N ATOM 252 CA GLN p 16 3.639 7.791 -0.458 1.00 0.00 C ATOM 253 C GLN p 16 4.408 6.977 0.538 1.00 0.00 C ATOM 254 O GLN p 16 5.502 6.490 0.277 1.00 0.00 O ATOM 255 CB GLN p 16 4.160 9.225 -0.409 1.00 0.00 C ATOM 256 CG GLN p 16 3.390 10.156 -1.300 1.00 0.00 C ATOM 257 CD GLN p 16 4.268 10.932 -2.262 1.00 0.00 C ATOM 258 OE1 GLN p 16 4.738 12.026 -1.948 1.00 0.00 O ATOM 259 NE2 GLN p 16 4.496 10.369 -3.443 1.00 0.00 N ATOM 0 H GLN p 16 1.855 8.531 0.368 1.00 0.00 H new ATOM 0 HA GLN p 16 3.758 7.438 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.112 9.589 0.617 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.210 9.235 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.660 9.581 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN p 16 2.831 10.859 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.087 9.461 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.080 10.845 -4.131 1.00 0.00 H new ATOM 268 N ALA p 17 3.785 6.913 1.711 1.00 0.00 N ATOM 269 CA ALA p 17 4.256 6.105 2.840 1.00 0.00 C ATOM 270 C ALA p 17 3.826 4.680 2.588 1.00 0.00 C ATOM 271 O ALA p 17 4.482 3.743 3.012 1.00 0.00 O ATOM 272 CB ALA p 17 3.715 6.580 4.178 1.00 0.00 C ATOM 0 H ALA p 17 2.927 7.427 1.911 1.00 0.00 H new ATOM 0 HA ALA p 17 5.340 6.195 2.904 1.00 0.00 H new ATOM 0 HB1 ALA p 17 4.100 5.942 4.973 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.030 7.609 4.354 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.626 6.531 4.168 1.00 0.00 H new ATOM 278 N LEU p 18 2.695 4.572 1.867 1.00 0.00 N ATOM 279 CA LEU p 18 2.108 3.316 1.428 1.00 0.00 C ATOM 280 C LEU p 18 2.907 2.840 0.238 1.00 0.00 C ATOM 281 O LEU p 18 2.998 1.653 -0.045 1.00 0.00 O ATOM 282 CB LEU p 18 0.639 3.540 1.043 1.00 0.00 C ATOM 283 CG LEU p 18 0.051 2.603 -0.013 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.028 1.202 0.539 1.00 0.00 C ATOM 285 CD2 LEU p 18 -1.304 3.109 -0.463 1.00 0.00 C ATOM 0 H LEU p 18 2.157 5.387 1.571 1.00 0.00 H new ATOM 0 HA LEU p 18 2.134 2.569 2.221 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.035 3.455 1.946 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.534 4.564 0.684 1.00 0.00 H new ATOM 0 HG LEU p 18 0.700 2.583 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -0.447 0.537 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU p 18 0.971 0.860 0.809 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -0.665 1.195 1.423 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -1.713 2.434 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU p 18 -1.979 3.152 0.392 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -1.197 4.106 -0.890 1.00 0.00 H new ATOM 297 N GLU p 19 3.407 3.844 -0.473 1.00 0.00 N ATOM 298 CA GLU p 19 4.275 3.713 -1.596 1.00 0.00 C ATOM 299 C GLU p 19 5.639 3.351 -1.054 1.00 0.00 C ATOM 300 O GLU p 19 6.405 2.629 -1.671 1.00 0.00 O ATOM 301 CB GLU p 19 4.316 5.061 -2.265 1.00 0.00 C ATOM 302 CG GLU p 19 5.061 5.075 -3.549 1.00 0.00 C ATOM 303 CD GLU p 19 4.182 5.338 -4.756 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.666 4.361 -5.339 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.010 6.520 -5.119 1.00 0.00 O ATOM 0 H GLU p 19 3.195 4.817 -0.254 1.00 0.00 H new ATOM 0 HA GLU p 19 3.950 2.954 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.295 5.397 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.772 5.780 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU p 19 5.837 5.839 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.565 4.117 -3.678 1.00 0.00 H new ATOM 312 N LYS p 20 5.905 3.969 0.095 1.00 0.00 N ATOM 313 CA LYS p 20 7.108 3.745 0.896 1.00 0.00 C ATOM 314 C LYS p 20 6.966 2.437 1.666 1.00 0.00 C ATOM 315 O LYS p 20 7.949 1.879 2.147 1.00 0.00 O ATOM 316 CB LYS p 20 7.337 4.910 1.851 1.00 0.00 C ATOM 317 CG LYS p 20 8.724 5.522 1.770 1.00 0.00 C ATOM 318 CD LYS p 20 9.595 5.095 2.942 1.00 0.00 C ATOM 319 CE LYS p 20 10.984 5.716 2.870 1.00 0.00 C ATOM 320 NZ LYS p 20 11.824 5.101 1.802 1.00 0.00 N ATOM 0 H LYS p 20 5.274 4.657 0.506 1.00 0.00 H new ATOM 0 HA LYS p 20 7.973 3.678 0.236 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.598 5.684 1.644 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.163 4.568 2.871 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.199 5.224 0.835 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.642 6.609 1.754 1.00 0.00 H new ATOM 0 HD2 LYS p 20 9.115 5.386 3.876 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.683 4.009 2.953 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.892 6.786 2.686 1.00 0.00 H new ATOM 0 HE3 LYS p 20 11.482 5.600 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.790 4.958 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.418 4.184 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.851 5.731 0.975 1.00 0.00 H new ATOM 334 N GLU p 21 5.701 1.990 1.786 1.00 0.00 N ATOM 335 CA GLU p 21 5.336 0.711 2.384 1.00 0.00 C ATOM 336 C GLU p 21 5.487 -0.272 1.271 1.00 0.00 C ATOM 337 O GLU p 21 5.947 -1.406 1.426 1.00 0.00 O ATOM 338 CB GLU p 21 3.887 0.696 2.820 1.00 0.00 C ATOM 339 CG GLU p 21 3.601 1.502 4.051 1.00 0.00 C ATOM 340 CD GLU p 21 3.685 0.691 5.330 1.00 0.00 C ATOM 341 OE1 GLU p 21 2.655 0.111 5.734 1.00 0.00 O ATOM 342 OE2 GLU p 21 4.780 0.636 5.928 1.00 0.00 O ATOM 0 H GLU p 21 4.896 2.525 1.461 1.00 0.00 H new ATOM 0 HA GLU p 21 5.948 0.500 3.261 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.271 1.072 2.003 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.585 -0.336 2.998 1.00 0.00 H new ATOM 0 HG2 GLU p 21 4.307 2.331 4.107 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.605 1.937 3.969 1.00 0.00 H new ATOM 349 N LEU p 22 5.029 0.235 0.127 1.00 0.00 N ATOM 350 CA LEU p 22 5.144 -0.447 -1.143 1.00 0.00 C ATOM 351 C LEU p 22 6.626 -0.538 -1.470 1.00 0.00 C ATOM 352 O LEU p 22 7.129 -1.583 -1.884 1.00 0.00 O ATOM 353 CB LEU p 22 4.412 0.361 -2.214 1.00 0.00 C ATOM 354 CG LEU p 22 3.899 -0.380 -3.445 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.193 0.619 -4.327 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.033 -1.044 -4.209 1.00 0.00 C ATOM 0 H LEU p 22 4.564 1.141 0.065 1.00 0.00 H new ATOM 0 HA LEU p 22 4.703 -1.443 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.561 0.850 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.083 1.149 -2.555 1.00 0.00 H new ATOM 0 HG LEU p 22 3.216 -1.171 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.815 0.116 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.361 1.063 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.892 1.402 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.631 -1.562 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.745 -0.286 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.538 -1.761 -3.561 1.00 0.00 H new ATOM 368 N ALA p 23 7.303 0.597 -1.246 1.00 0.00 N ATOM 369 CA ALA p 23 8.756 0.710 -1.444 1.00 0.00 C ATOM 370 C ALA p 23 9.513 -0.007 -0.328 1.00 0.00 C ATOM 371 O ALA p 23 10.706 -0.256 -0.451 1.00 0.00 O ATOM 372 CB ALA p 23 9.207 2.163 -1.531 1.00 0.00 C ATOM 0 H ALA p 23 6.862 1.459 -0.924 1.00 0.00 H new ATOM 0 HA ALA p 23 8.987 0.231 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.286 2.201 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.710 2.649 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.948 2.680 -0.607 1.00 0.00 H new ATOM 378 N GLN p 24 8.782 -0.338 0.752 1.00 0.00 N ATOM 379 CA GLN p 24 9.302 -1.046 1.903 1.00 0.00 C ATOM 380 C GLN p 24 9.399 -2.541 1.581 1.00 0.00 C ATOM 381 O GLN p 24 10.228 -3.252 2.127 1.00 0.00 O ATOM 382 CB GLN p 24 8.353 -0.796 3.073 1.00 0.00 C ATOM 383 CG GLN p 24 8.521 -1.747 4.224 1.00 0.00 C ATOM 384 CD GLN p 24 8.694 -1.049 5.559 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.719 -0.775 6.259 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.939 -0.758 5.919 1.00 0.00 N ATOM 0 H GLN p 24 7.792 -0.109 0.836 1.00 0.00 H new ATOM 0 HA GLN p 24 10.300 -0.694 2.163 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.501 0.222 3.434 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.326 -0.860 2.712 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.651 -2.402 4.275 1.00 0.00 H new ATOM 0 HG3 GLN p 24 9.388 -2.381 4.039 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.717 -1.004 5.307 1.00 0.00 H new ATOM 0 HE22 GLN p 24 10.117 -0.289 6.807 1.00 0.00 H new ATOM 395 N LEU p 25 8.529 -2.948 0.660 1.00 0.00 N ATOM 396 CA LEU p 25 8.399 -4.314 0.154 1.00 0.00 C ATOM 397 C LEU p 25 9.487 -4.564 -0.848 1.00 0.00 C ATOM 398 O LEU p 25 9.985 -5.665 -0.995 1.00 0.00 O ATOM 399 CB LEU p 25 7.023 -4.486 -0.521 1.00 0.00 C ATOM 400 CG LEU p 25 6.031 -5.393 0.206 1.00 0.00 C ATOM 401 CD1 LEU p 25 6.635 -6.772 0.369 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.651 -4.786 1.547 1.00 0.00 C ATOM 0 H LEU p 25 7.865 -2.307 0.226 1.00 0.00 H new ATOM 0 HA LEU p 25 8.483 -5.024 0.977 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.570 -3.501 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.179 -4.882 -1.525 1.00 0.00 H new ATOM 0 HG LEU p 25 5.118 -5.487 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.928 -7.420 0.888 1.00 0.00 H new ATOM 0 HD12 LEU p 25 6.858 -7.190 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU p 25 7.555 -6.700 0.950 1.00 0.00 H new ATOM 0 HD21 LEU p 25 4.944 -5.441 2.056 1.00 0.00 H new ATOM 0 HD22 LEU p 25 6.545 -4.671 2.160 1.00 0.00 H new ATOM 0 HD23 LEU p 25 5.192 -3.810 1.388 1.00 0.00 H new ATOM 414 N GLU p 26 9.772 -3.478 -1.535 1.00 0.00 N ATOM 415 CA GLU p 26 10.827 -3.334 -2.520 1.00 0.00 C ATOM 416 C GLU p 26 12.097 -3.088 -1.748 1.00 0.00 C ATOM 417 O GLU p 26 13.201 -3.239 -2.234 1.00 0.00 O ATOM 418 CB GLU p 26 10.526 -2.161 -3.437 1.00 0.00 C ATOM 419 CG GLU p 26 9.112 -2.186 -3.977 1.00 0.00 C ATOM 420 CD GLU p 26 9.047 -2.016 -5.482 1.00 0.00 C ATOM 421 OE1 GLU p 26 9.100 -3.038 -6.198 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.942 -0.861 -5.946 1.00 0.00 O ATOM 0 H GLU p 26 9.240 -2.616 -1.414 1.00 0.00 H new ATOM 0 HA GLU p 26 10.915 -4.223 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.686 -1.230 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.228 -2.168 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.642 -3.130 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.534 -1.393 -3.502 1.00 0.00 H new ATOM 429 N LYS p 27 11.879 -2.620 -0.531 1.00 0.00 N ATOM 430 CA LYS p 27 12.966 -2.443 0.439 1.00 0.00 C ATOM 431 C LYS p 27 13.246 -3.806 1.042 1.00 0.00 C ATOM 432 O LYS p 27 14.347 -4.090 1.518 1.00 0.00 O ATOM 433 CB LYS p 27 12.640 -1.443 1.542 1.00 0.00 C ATOM 434 CG LYS p 27 13.037 -0.014 1.211 1.00 0.00 C ATOM 435 CD LYS p 27 12.969 0.885 2.438 1.00 0.00 C ATOM 436 CE LYS p 27 13.386 2.313 2.114 1.00 0.00 C ATOM 437 NZ LYS p 27 14.859 2.436 1.913 1.00 0.00 N ATOM 0 H LYS p 27 10.958 -2.353 -0.182 1.00 0.00 H new ATOM 0 HA LYS p 27 13.833 -2.034 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.569 -1.475 1.744 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.147 -1.748 2.458 1.00 0.00 H new ATOM 0 HG2 LYS p 27 14.049 -0.001 0.806 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.378 0.377 0.436 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.954 0.884 2.834 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.616 0.485 3.218 1.00 0.00 H new ATOM 0 HE2 LYS p 27 12.869 2.646 1.214 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.075 2.974 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 15.098 3.424 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 15.353 2.143 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.154 1.826 1.124 1.00 0.00 H new ATOM 451 N GLU p 28 12.199 -4.640 1.029 1.00 0.00 N ATOM 452 CA GLU p 28 12.315 -6.036 1.485 1.00 0.00 C ATOM 453 C GLU p 28 12.679 -6.897 0.297 1.00 0.00 C ATOM 454 O GLU p 28 13.400 -7.891 0.410 1.00 0.00 O ATOM 455 CB GLU p 28 11.014 -6.579 2.085 1.00 0.00 C ATOM 456 CG GLU p 28 10.418 -5.694 3.145 1.00 0.00 C ATOM 457 CD GLU p 28 10.342 -6.361 4.504 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.316 -6.246 5.278 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.308 -6.998 4.797 1.00 0.00 O ATOM 0 H GLU p 28 11.266 -4.377 0.710 1.00 0.00 H new ATOM 0 HA GLU p 28 13.076 -6.062 2.265 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.285 -6.714 1.286 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.205 -7.563 2.512 1.00 0.00 H new ATOM 0 HG2 GLU p 28 11.013 -4.784 3.226 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.416 -5.394 2.838 1.00 0.00 H new ATOM 466 N LEU p 29 12.133 -6.488 -0.841 1.00 0.00 N ATOM 467 CA LEU p 29 12.356 -7.163 -2.112 1.00 0.00 C ATOM 468 C LEU p 29 13.691 -6.801 -2.748 1.00 0.00 C ATOM 469 O LEU p 29 14.505 -7.682 -3.041 1.00 0.00 O ATOM 470 CB LEU p 29 11.234 -6.807 -3.088 1.00 0.00 C ATOM 471 CG LEU p 29 10.624 -7.951 -3.886 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.521 -7.389 -4.752 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.676 -8.640 -4.737 1.00 0.00 C ATOM 0 H LEU p 29 11.520 -5.675 -0.908 1.00 0.00 H new ATOM 0 HA LEU p 29 12.367 -8.233 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.436 -6.323 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.619 -6.070 -3.793 1.00 0.00 H new ATOM 0 HG LEU p 29 10.218 -8.699 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.069 -8.193 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.762 -6.927 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.935 -6.641 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.215 -9.453 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.110 -7.921 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.459 -9.041 -4.094 1.00 0.00 H new ATOM 791 N GLN p 51 4.363 -15.146 -5.077 1.00 0.00 N ATOM 792 CA GLN p 51 3.072 -14.901 -5.734 1.00 0.00 C ATOM 793 C GLN p 51 2.081 -14.206 -4.793 1.00 0.00 C ATOM 794 O GLN p 51 1.274 -13.390 -5.237 1.00 0.00 O ATOM 795 CB GLN p 51 2.482 -16.224 -6.236 1.00 0.00 C ATOM 796 CG GLN p 51 1.676 -16.091 -7.522 1.00 0.00 C ATOM 797 CD GLN p 51 1.102 -17.414 -7.989 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.737 -18.145 -8.749 1.00 0.00 O ATOM 799 NE2 GLN p 51 -0.106 -17.729 -7.535 1.00 0.00 N ATOM 0 HA GLN p 51 3.248 -14.236 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN p 51 3.293 -16.934 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.842 -16.643 -5.459 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.863 -15.382 -7.366 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.313 -15.679 -8.305 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -0.596 -17.093 -6.906 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.543 -18.607 -7.815 1.00 0.00 H new ATOM 808 N ALA p 52 2.167 -14.531 -3.493 1.00 0.00 N ATOM 809 CA ALA p 52 1.286 -13.968 -2.449 1.00 0.00 C ATOM 810 C ALA p 52 1.521 -12.462 -2.202 1.00 0.00 C ATOM 811 O ALA p 52 0.787 -11.835 -1.442 1.00 0.00 O ATOM 812 CB ALA p 52 1.464 -14.753 -1.159 1.00 0.00 C ATOM 0 H ALA p 52 2.852 -15.195 -3.132 1.00 0.00 H new ATOM 0 HA ALA p 52 0.260 -14.060 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.814 -14.338 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.203 -15.798 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.502 -14.687 -0.833 1.00 0.00 H new ATOM 818 N LEU p 53 2.550 -11.912 -2.853 1.00 0.00 N ATOM 819 CA LEU p 53 2.943 -10.521 -2.743 1.00 0.00 C ATOM 820 C LEU p 53 2.267 -9.728 -3.850 1.00 0.00 C ATOM 821 O LEU p 53 1.461 -8.837 -3.592 1.00 0.00 O ATOM 822 CB LEU p 53 4.471 -10.455 -2.860 1.00 0.00 C ATOM 823 CG LEU p 53 5.153 -9.185 -2.371 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.578 -9.524 -2.013 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.120 -8.107 -3.443 1.00 0.00 C ATOM 0 H LEU p 53 3.144 -12.445 -3.487 1.00 0.00 H new ATOM 0 HA LEU p 53 2.639 -10.093 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.889 -11.297 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.736 -10.599 -3.908 1.00 0.00 H new ATOM 0 HG LEU p 53 4.627 -8.798 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.087 -8.628 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.586 -10.280 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.092 -9.910 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.613 -7.209 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.638 -8.463 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.085 -7.875 -3.694 1.00 0.00 H new ATOM 837 N LYS p 54 2.602 -10.097 -5.089 1.00 0.00 N ATOM 838 CA LYS p 54 2.019 -9.490 -6.304 1.00 0.00 C ATOM 839 C LYS p 54 0.494 -9.687 -6.329 1.00 0.00 C ATOM 840 O LYS p 54 -0.215 -9.065 -7.118 1.00 0.00 O ATOM 841 CB LYS p 54 2.644 -10.101 -7.563 1.00 0.00 C ATOM 842 CG LYS p 54 4.074 -9.651 -7.822 1.00 0.00 C ATOM 843 CD LYS p 54 4.634 -10.275 -9.090 1.00 0.00 C ATOM 844 CE LYS p 54 6.061 -9.819 -9.351 1.00 0.00 C ATOM 845 NZ LYS p 54 6.619 -10.422 -10.593 1.00 0.00 N ATOM 0 H LYS p 54 3.287 -10.827 -5.286 1.00 0.00 H new ATOM 0 HA LYS p 54 2.235 -8.422 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.626 -11.187 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.030 -9.840 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.105 -8.565 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.702 -9.923 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.608 -11.361 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.004 -10.007 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.086 -8.732 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.689 -10.089 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.593 -10.086 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.620 -11.458 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.035 -10.143 -11.407 1.00 0.00 H new ATOM 859 N LYS p 55 0.036 -10.579 -5.441 1.00 0.00 N ATOM 860 CA LYS p 55 -1.351 -10.919 -5.243 1.00 0.00 C ATOM 861 C LYS p 55 -1.904 -10.091 -4.102 1.00 0.00 C ATOM 862 O LYS p 55 -3.052 -9.664 -4.143 1.00 0.00 O ATOM 863 CB LYS p 55 -1.491 -12.403 -4.937 1.00 0.00 C ATOM 864 CG LYS p 55 -1.657 -13.266 -6.175 1.00 0.00 C ATOM 865 CD LYS p 55 -2.131 -14.666 -5.819 1.00 0.00 C ATOM 866 CE LYS p 55 -2.376 -15.503 -7.064 1.00 0.00 C ATOM 867 NZ LYS p 55 -2.839 -16.878 -6.727 1.00 0.00 N ATOM 0 H LYS p 55 0.660 -11.097 -4.822 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.913 -10.705 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -0.611 -12.737 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.350 -12.551 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.373 -12.799 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.708 -13.327 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -1.386 -15.155 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.049 -14.603 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.121 -15.012 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -1.458 -15.562 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -2.752 -17.489 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.255 -17.262 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -3.833 -16.845 -6.424 1.00 0.00 H new ATOM 881 N LYS p 56 -1.059 -9.889 -3.071 1.00 0.00 N ATOM 882 CA LYS p 56 -1.426 -9.040 -1.904 1.00 0.00 C ATOM 883 C LYS p 56 -1.401 -7.562 -2.318 1.00 0.00 C ATOM 884 O LYS p 56 -1.905 -6.676 -1.622 1.00 0.00 O ATOM 885 CB LYS p 56 -0.465 -9.259 -0.733 1.00 0.00 C ATOM 886 CG LYS p 56 -0.996 -10.210 0.335 1.00 0.00 C ATOM 887 CD LYS p 56 -1.839 -9.484 1.376 1.00 0.00 C ATOM 888 CE LYS p 56 -2.361 -10.440 2.436 1.00 0.00 C ATOM 889 NZ LYS p 56 -3.187 -9.740 3.459 1.00 0.00 N ATOM 0 H LYS p 56 -0.125 -10.295 -3.016 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.428 -9.321 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.477 -9.650 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.246 -8.296 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -1.595 -10.989 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -0.160 -10.706 0.827 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.242 -8.705 1.850 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.678 -8.990 0.886 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.956 -11.219 1.960 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.521 -10.934 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.523 -10.427 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -2.612 -9.013 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -4.003 -9.290 2.998 1.00 0.00 H new ATOM 903 N LEU p 57 -0.790 -7.361 -3.480 1.00 0.00 N ATOM 904 CA LEU p 57 -0.630 -6.093 -4.158 1.00 0.00 C ATOM 905 C LEU p 57 -1.776 -5.965 -5.117 1.00 0.00 C ATOM 906 O LEU p 57 -2.395 -4.914 -5.251 1.00 0.00 O ATOM 907 CB LEU p 57 0.681 -6.092 -4.935 1.00 0.00 C ATOM 908 CG LEU p 57 1.875 -5.384 -4.302 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.297 -6.052 -2.998 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.007 -5.397 -5.302 1.00 0.00 C ATOM 0 H LEU p 57 -0.369 -8.131 -4.001 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.615 -5.267 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU p 57 0.964 -7.129 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.495 -5.635 -5.907 1.00 0.00 H new ATOM 0 HG LEU p 57 1.601 -4.359 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.150 -5.520 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.468 -6.026 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.575 -7.088 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU p 57 3.876 -4.896 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.266 -6.428 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.698 -4.877 -6.209 1.00 0.00 H new ATOM 922 N ALA p 58 -2.016 -7.092 -5.805 1.00 0.00 N ATOM 923 CA ALA p 58 -3.147 -7.216 -6.747 1.00 0.00 C ATOM 924 C ALA p 58 -4.474 -7.201 -5.980 1.00 0.00 C ATOM 925 O ALA p 58 -5.544 -7.020 -6.563 1.00 0.00 O ATOM 926 CB ALA p 58 -3.040 -8.480 -7.586 1.00 0.00 C ATOM 0 H ALA p 58 -1.443 -7.933 -5.729 1.00 0.00 H new ATOM 0 HA ALA p 58 -3.113 -6.363 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.889 -8.538 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.114 -8.458 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.040 -9.352 -6.932 1.00 0.00 H new ATOM 932 N GLN p 59 -4.360 -7.406 -4.660 1.00 0.00 N ATOM 933 CA GLN p 59 -5.458 -7.385 -3.725 1.00 0.00 C ATOM 934 C GLN p 59 -5.534 -5.986 -3.120 1.00 0.00 C ATOM 935 O GLN p 59 -6.591 -5.534 -2.691 1.00 0.00 O ATOM 936 CB GLN p 59 -5.190 -8.445 -2.653 1.00 0.00 C ATOM 937 CG GLN p 59 -5.934 -8.241 -1.356 1.00 0.00 C ATOM 938 CD GLN p 59 -6.811 -9.419 -0.979 1.00 0.00 C ATOM 939 OE1 GLN p 59 -6.370 -10.340 -0.292 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.061 -9.397 -1.429 1.00 0.00 N ATOM 0 H GLN p 59 -3.463 -7.596 -4.214 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.410 -7.610 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.454 -9.423 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.121 -8.465 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.215 -8.061 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.552 -7.347 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.385 -8.613 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -8.696 -10.164 -1.208 1.00 0.00 H new ATOM 949 N LEU p 60 -4.365 -5.339 -3.103 1.00 0.00 N ATOM 950 CA LEU p 60 -4.188 -3.978 -2.594 1.00 0.00 C ATOM 951 C LEU p 60 -4.624 -2.972 -3.670 1.00 0.00 C ATOM 952 O LEU p 60 -5.100 -1.879 -3.378 1.00 0.00 O ATOM 953 CB LEU p 60 -2.707 -3.769 -2.204 1.00 0.00 C ATOM 954 CG LEU p 60 -2.331 -2.445 -1.502 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.847 -1.438 -2.529 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.502 -1.877 -0.714 1.00 0.00 C ATOM 0 H LEU p 60 -3.500 -5.755 -3.449 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.804 -3.823 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.413 -4.591 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -2.106 -3.851 -3.110 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.529 -2.653 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.583 -0.506 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.971 -1.835 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.638 -1.249 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.200 -0.946 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.335 -1.684 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.811 -2.594 0.047 1.00 0.00 H new ATOM 968 N LYS p 61 -4.455 -3.425 -4.904 1.00 0.00 N ATOM 969 CA LYS p 61 -4.797 -2.732 -6.133 1.00 0.00 C ATOM 970 C LYS p 61 -6.271 -2.965 -6.378 1.00 0.00 C ATOM 971 O LYS p 61 -6.979 -2.136 -6.956 1.00 0.00 O ATOM 972 CB LYS p 61 -3.956 -3.288 -7.283 1.00 0.00 C ATOM 973 CG LYS p 61 -2.756 -2.429 -7.630 1.00 0.00 C ATOM 974 CD LYS p 61 -2.179 -2.800 -8.988 1.00 0.00 C ATOM 975 CE LYS p 61 -0.987 -1.926 -9.344 1.00 0.00 C ATOM 976 NZ LYS p 61 -0.411 -2.286 -10.670 1.00 0.00 N ATOM 0 H LYS p 61 -4.050 -4.344 -5.082 1.00 0.00 H new ATOM 0 HA LYS p 61 -4.594 -1.664 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.612 -4.288 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.586 -3.390 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -3.047 -1.379 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.990 -2.546 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.875 -3.847 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.949 -2.696 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -1.294 -0.880 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -0.220 -2.027 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 0.399 -1.667 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -0.095 -3.277 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -1.135 -2.165 -11.407 1.00 0.00 H new ATOM 990 N TRP p 62 -6.699 -4.145 -5.905 1.00 0.00 N ATOM 991 CA TRP p 62 -8.093 -4.554 -5.915 1.00 0.00 C ATOM 992 C TRP p 62 -8.745 -3.820 -4.767 1.00 0.00 C ATOM 993 O TRP p 62 -9.951 -3.565 -4.758 1.00 0.00 O ATOM 994 CB TRP p 62 -8.229 -6.059 -5.728 1.00 0.00 C ATOM 995 CG TRP p 62 -9.246 -6.687 -6.636 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.027 -7.177 -7.892 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.643 -6.894 -6.363 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.194 -7.674 -8.416 1.00 0.00 N ATOM 999 CE2 TRP p 62 -11.200 -7.514 -7.499 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.477 -6.619 -5.272 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.547 -7.860 -7.574 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.813 -6.964 -5.349 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.337 -7.579 -6.493 1.00 0.00 C ATOM 0 H TRP p 62 -6.073 -4.842 -5.503 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.563 -4.317 -6.869 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.260 -6.527 -5.902 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.502 -6.265 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -8.074 -7.174 -8.399 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -10.296 -8.095 -9.339 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -11.083 -6.145 -4.385 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.954 -8.334 -8.455 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.464 -6.756 -4.513 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.385 -7.837 -6.522 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.886 -3.503 -3.780 1.00 0.00 N ATOM 1015 CA LYS p 63 -8.293 -2.695 -2.628 1.00 0.00 C ATOM 1016 C LYS p 63 -8.401 -1.243 -3.068 1.00 0.00 C ATOM 1017 O LYS p 63 -9.268 -0.519 -2.605 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.315 -2.812 -1.462 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.641 -3.940 -0.498 1.00 0.00 C ATOM 1020 CD LYS p 63 -6.755 -3.891 0.739 1.00 0.00 C ATOM 1021 CE LYS p 63 -7.075 -5.023 1.707 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.364 -4.804 2.425 1.00 0.00 N ATOM 0 H LYS p 63 -6.909 -3.796 -3.762 1.00 0.00 H new ATOM 0 HA LYS p 63 -9.255 -3.065 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.310 -2.963 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.304 -1.870 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.687 -3.874 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.512 -4.898 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -5.709 -3.953 0.440 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -6.886 -2.933 1.243 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -7.122 -5.964 1.160 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -6.268 -5.116 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.540 -5.599 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -8.312 -3.919 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -9.139 -4.741 1.735 1.00 0.00 H new ATOM 1036 N LEU p 64 -7.506 -0.864 -4.000 1.00 0.00 N ATOM 1037 CA LEU p 64 -7.459 0.482 -4.616 1.00 0.00 C ATOM 1038 C LEU p 64 -8.737 0.733 -5.376 1.00 0.00 C ATOM 1039 O LEU p 64 -9.393 1.745 -5.260 1.00 0.00 O ATOM 1040 CB LEU p 64 -6.298 0.544 -5.600 1.00 0.00 C ATOM 1041 CG LEU p 64 -5.117 1.417 -5.220 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -4.226 0.707 -4.223 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -4.351 1.752 -6.475 1.00 0.00 C ATOM 0 H LEU p 64 -6.783 -1.491 -4.353 1.00 0.00 H new ATOM 0 HA LEU p 64 -7.334 1.230 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -5.932 -0.471 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -6.684 0.895 -6.557 1.00 0.00 H new ATOM 0 HG LEU p 64 -5.471 2.333 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -3.385 1.350 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.797 0.477 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.853 -0.218 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.497 2.380 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.000 0.832 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -5.002 2.286 -7.167 1.00 0.00 H new ATOM 1055 N GLN p 65 -9.059 -0.234 -6.170 1.00 0.00 N ATOM 1056 CA GLN p 65 -10.303 -0.249 -6.950 1.00 0.00 C ATOM 1057 C GLN p 65 -11.454 0.167 -6.024 1.00 0.00 C ATOM 1058 O GLN p 65 -12.502 0.623 -6.454 1.00 0.00 O ATOM 1059 CB GLN p 65 -10.506 -1.658 -7.548 1.00 0.00 C ATOM 1060 CG GLN p 65 -11.670 -2.479 -6.989 1.00 0.00 C ATOM 1061 CD GLN p 65 -12.955 -2.284 -7.771 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -13.766 -1.414 -7.452 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -13.148 -3.096 -8.804 1.00 0.00 N ATOM 0 H GLN p 65 -8.474 -1.057 -6.314 1.00 0.00 H new ATOM 0 HA GLN p 65 -10.265 0.454 -7.782 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -10.648 -1.554 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.587 -2.226 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -11.401 -3.535 -6.998 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.838 -2.202 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -12.450 -3.804 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -13.994 -3.012 -9.368 1.00 0.00 H new ATOM 1072 N ALA p 66 -11.228 -0.160 -4.759 1.00 0.00 N ATOM 1073 CA ALA p 66 -12.105 0.171 -3.647 1.00 0.00 C ATOM 1074 C ALA p 66 -11.596 1.353 -2.814 1.00 0.00 C ATOM 1075 O ALA p 66 -12.392 2.095 -2.248 1.00 0.00 O ATOM 1076 CB ALA p 66 -12.359 -1.047 -2.771 1.00 0.00 C ATOM 0 H ALA p 66 -10.400 -0.681 -4.470 1.00 0.00 H new ATOM 0 HA ALA p 66 -13.052 0.488 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -13.018 -0.772 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -12.829 -1.831 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -11.413 -1.412 -2.372 1.00 0.00 H new ATOM 1082 N LEU p 67 -10.259 1.495 -2.742 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.585 2.526 -1.942 1.00 0.00 C ATOM 1084 C LEU p 67 -9.328 3.752 -2.805 1.00 0.00 C ATOM 1085 O LEU p 67 -9.569 4.880 -2.387 1.00 0.00 O ATOM 1086 CB LEU p 67 -8.294 1.908 -1.290 1.00 0.00 C ATOM 1087 CG LEU p 67 -7.053 2.801 -0.989 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.159 2.928 -2.213 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.455 4.174 -0.492 1.00 0.00 C ATOM 0 H LEU p 67 -9.612 0.888 -3.245 1.00 0.00 H new ATOM 0 HA LEU p 67 -10.212 2.867 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -8.597 1.451 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.959 1.102 -1.942 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.492 2.307 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.301 3.557 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -5.812 1.940 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.722 3.379 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.561 4.765 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -8.059 4.673 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.034 4.073 0.426 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.839 3.491 -4.001 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.577 4.499 -5.011 1.00 0.00 C ATOM 1103 C LYS p 68 -9.904 4.956 -5.570 1.00 0.00 C ATOM 1104 O LYS p 68 -10.026 6.087 -6.043 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.687 3.959 -6.131 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.397 4.743 -6.311 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.105 5.007 -7.781 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.801 5.769 -7.969 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.606 4.912 -7.724 1.00 0.00 N ATOM 0 H LYS p 68 -8.606 2.546 -4.306 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.043 5.333 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.444 2.917 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.245 3.973 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.469 5.691 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.569 4.190 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.053 4.060 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.925 5.576 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.758 6.167 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.780 6.622 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.742 5.469 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.622 4.566 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -3.619 4.103 -8.377 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.902 4.044 -5.524 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.251 4.396 -5.929 1.00 0.00 C ATOM 1125 C LYS p 69 -12.889 5.174 -4.793 1.00 0.00 C ATOM 1126 O LYS p 69 -13.747 6.013 -5.016 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.083 3.171 -6.266 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.408 3.060 -7.747 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.730 2.341 -7.977 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.057 2.222 -9.459 1.00 0.00 C ATOM 1131 NZ LYS p 69 -15.494 3.522 -10.046 1.00 0.00 N ATOM 0 H LYS p 69 -10.786 3.079 -5.214 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.207 5.000 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.546 2.276 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -14.012 3.203 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.454 4.057 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.608 2.524 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -14.685 1.346 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.530 2.880 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.180 1.860 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.844 1.480 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -15.706 3.393 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -16.347 3.856 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -14.734 4.224 -9.939 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.393 4.879 -3.579 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.794 5.540 -2.339 1.00 0.00 C ATOM 1147 C LYS p 70 -11.994 6.813 -2.205 1.00 0.00 C ATOM 1148 O LYS p 70 -12.363 7.716 -1.465 1.00 0.00 O ATOM 1149 CB LYS p 70 -12.540 4.648 -1.134 1.00 0.00 C ATOM 1150 CG LYS p 70 -13.802 4.141 -0.452 1.00 0.00 C ATOM 1151 CD LYS p 70 -14.222 5.040 0.703 1.00 0.00 C ATOM 1152 CE LYS p 70 -15.477 4.520 1.384 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.891 5.387 2.521 1.00 0.00 N ATOM 0 H LYS p 70 -11.687 4.157 -3.437 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.862 5.755 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.943 3.792 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.945 5.201 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -14.611 4.084 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -13.634 3.129 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -13.412 5.103 1.430 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -14.399 6.050 0.334 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -16.287 4.463 0.657 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -15.301 3.507 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.751 4.998 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -15.128 5.422 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -16.084 6.348 2.173 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.857 6.816 -2.915 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.974 7.976 -3.018 1.00 0.00 C ATOM 1169 C ASN p 71 -10.504 8.821 -4.171 1.00 0.00 C ATOM 1170 O ASN p 71 -10.120 9.970 -4.359 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.521 7.564 -3.273 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.527 8.598 -2.774 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.082 8.544 -1.628 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.173 9.543 -3.637 1.00 0.00 N ATOM 0 H ASN p 71 -10.526 6.004 -3.437 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.971 8.534 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.326 6.611 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.373 7.409 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.506 10.263 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.568 9.549 -4.578 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.383 8.158 -4.943 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.111 8.722 -6.069 1.00 0.00 C ATOM 1183 C ALA p 72 -13.439 9.206 -5.533 1.00 0.00 C ATOM 1184 O ALA p 72 -14.073 10.085 -6.105 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.316 7.698 -7.173 1.00 0.00 C ATOM 0 H ALA p 72 -11.607 7.176 -4.784 1.00 0.00 H new ATOM 0 HA ALA p 72 -11.545 9.541 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -12.863 8.156 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.347 7.349 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -12.885 6.853 -6.785 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.839 8.564 -4.416 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.037 8.897 -3.659 1.00 0.00 C ATOM 1193 C GLN p 73 -14.647 9.988 -2.715 1.00 0.00 C ATOM 1194 O GLN p 73 -15.458 10.794 -2.283 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.520 7.708 -2.854 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.909 6.541 -3.712 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.342 6.091 -3.502 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.621 5.240 -2.657 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.261 6.660 -4.275 1.00 0.00 N ATOM 0 H GLN p 73 -13.318 7.784 -4.016 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.840 9.195 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.734 7.399 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.375 8.009 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.769 6.807 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -15.240 5.707 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -17.986 7.361 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -19.242 6.396 -4.181 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.362 9.916 -2.380 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.682 10.897 -1.541 1.00 0.00 C ATOM 1210 C LEU p 74 -12.315 12.083 -2.411 1.00 0.00 C ATOM 1211 O LEU p 74 -12.295 13.205 -1.966 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.427 10.298 -0.918 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.878 10.985 0.334 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.695 10.638 1.576 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.436 10.569 0.508 1.00 0.00 C ATOM 0 H LEU p 74 -12.753 9.159 -2.690 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.340 11.208 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.636 9.257 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.642 10.294 -1.674 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.947 12.066 0.209 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.272 11.146 2.443 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.727 10.960 1.434 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.670 9.560 1.739 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.024 11.048 1.396 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.381 9.486 0.621 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.862 10.872 -0.367 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.059 11.784 -3.679 1.00 0.00 N ATOM 1228 CA LYS p 75 -11.747 12.785 -4.696 1.00 0.00 C ATOM 1229 C LYS p 75 -13.065 13.341 -5.171 1.00 0.00 C ATOM 1230 O LYS p 75 -13.147 14.434 -5.738 1.00 0.00 O ATOM 1231 CB LYS p 75 -10.988 12.167 -5.861 1.00 0.00 C ATOM 1232 CG LYS p 75 -9.610 12.764 -6.100 1.00 0.00 C ATOM 1233 CD LYS p 75 -9.584 13.623 -7.354 1.00 0.00 C ATOM 1234 CE LYS p 75 -8.205 14.212 -7.597 1.00 0.00 C ATOM 1235 NZ LYS p 75 -8.163 15.035 -8.838 1.00 0.00 N ATOM 0 H LYS p 75 -12.062 10.828 -4.036 1.00 0.00 H new ATOM 0 HA LYS p 75 -11.110 13.566 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -10.881 11.097 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -11.582 12.281 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.319 13.366 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -8.876 11.963 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -9.881 13.022 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -10.313 14.428 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -7.917 14.827 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -7.474 13.407 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -7.205 15.419 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -8.413 14.443 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -8.842 15.819 -8.758 1.00 0.00 H new ATOM 1249 N LYS p 76 -14.100 12.531 -4.912 1.00 0.00 N ATOM 1250 CA LYS p 76 -15.476 12.896 -5.214 1.00 0.00 C ATOM 1251 C LYS p 76 -16.041 13.619 -4.016 1.00 0.00 C ATOM 1252 O LYS p 76 -16.893 14.503 -4.147 1.00 0.00 O ATOM 1253 CB LYS p 76 -16.315 11.669 -5.540 1.00 0.00 C ATOM 1254 CG LYS p 76 -16.624 11.502 -7.020 1.00 0.00 C ATOM 1255 CD LYS p 76 -17.967 12.122 -7.391 1.00 0.00 C ATOM 1256 CE LYS p 76 -18.284 11.943 -8.869 1.00 0.00 C ATOM 1257 NZ LYS p 76 -18.641 10.534 -9.202 1.00 0.00 N ATOM 0 H LYS p 76 -14.000 11.609 -4.488 1.00 0.00 H new ATOM 0 HA LYS p 76 -15.498 13.541 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -15.792 10.780 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.253 11.727 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -15.834 11.965 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -16.631 10.442 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -18.756 11.666 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -17.956 13.184 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.109 12.600 -9.144 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -17.423 12.248 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -18.865 10.463 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -17.838 9.911 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -19.469 10.244 -8.643 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.547 13.217 -2.839 1.00 0.00 N ATOM 1272 CA LYS p 77 -15.932 13.857 -1.587 1.00 0.00 C ATOM 1273 C LYS p 77 -15.043 15.065 -1.329 1.00 0.00 C ATOM 1274 O LYS p 77 -15.399 15.952 -0.547 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.844 12.877 -0.421 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.192 12.351 0.057 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.777 13.213 1.168 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.120 12.679 1.641 1.00 0.00 C ATOM 1279 NZ LYS p 77 -19.703 13.520 2.723 1.00 0.00 N ATOM 0 H LYS p 77 -14.881 12.452 -2.733 1.00 0.00 H new ATOM 0 HA LYS p 77 -16.968 14.186 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.222 12.033 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.341 13.367 0.413 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.887 12.319 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.076 11.328 0.414 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.082 13.247 2.007 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -17.897 14.236 0.811 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.812 12.640 0.799 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.998 11.658 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -20.618 13.122 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -19.055 13.537 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -19.844 14.489 2.372 1.00 0.00 H new ATOM 1293 N LEU p 78 -13.874 15.084 -1.997 1.00 0.00 N ATOM 1294 CA LEU p 78 -12.917 16.195 -1.883 1.00 0.00 C ATOM 1295 C LEU p 78 -13.535 17.538 -2.269 1.00 0.00 C ATOM 1296 O LEU p 78 -13.595 18.471 -1.463 1.00 0.00 O ATOM 1297 CB LEU p 78 -11.715 15.920 -2.792 1.00 0.00 C ATOM 1298 CG LEU p 78 -10.384 15.649 -2.094 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -9.376 15.135 -3.104 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -9.870 16.911 -1.425 1.00 0.00 C ATOM 0 H LEU p 78 -13.571 14.338 -2.623 1.00 0.00 H new ATOM 0 HA LEU p 78 -12.611 16.258 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -11.952 15.062 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -11.585 16.775 -3.455 1.00 0.00 H new ATOM 0 HG LEU p 78 -10.533 14.892 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -8.427 14.942 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -9.746 14.212 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.230 15.882 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -8.921 16.701 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -9.725 17.688 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -10.595 17.252 -0.686 1.00 0.00 H new ATOM 1312 N GLN p 79 -13.986 17.599 -3.512 1.00 0.00 N ATOM 1313 CA GLN p 79 -14.625 18.778 -4.083 1.00 0.00 C ATOM 1314 C GLN p 79 -16.141 18.742 -3.895 1.00 0.00 C ATOM 1315 O GLN p 79 -16.761 19.751 -3.554 1.00 0.00 O ATOM 1316 CB GLN p 79 -14.275 18.899 -5.577 1.00 0.00 C ATOM 1317 CG GLN p 79 -14.175 17.576 -6.338 1.00 0.00 C ATOM 1318 CD GLN p 79 -13.837 17.769 -7.803 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -14.724 17.902 -8.645 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -12.546 17.786 -8.114 1.00 0.00 N ATOM 0 H GLN p 79 -13.918 16.818 -4.165 1.00 0.00 H new ATOM 0 HA GLN p 79 -14.246 19.653 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -15.029 19.520 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -13.324 19.424 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -13.413 16.950 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -15.121 17.041 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -11.844 17.672 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -12.257 17.913 -9.084 1.00 0.00 H new ATOM 1329 N ALA p 80 -16.712 17.553 -4.121 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.165 17.286 -4.001 1.00 0.00 C ATOM 1331 C ALA p 80 -18.996 18.141 -4.968 1.00 0.00 C ATOM 1332 O ALA p 80 -19.030 19.380 -4.796 1.00 0.00 O ATOM 1333 CB ALA p 80 -18.652 17.467 -2.560 1.00 0.00 C ATOM 1334 OXT ALA p 80 -19.608 17.559 -5.888 1.00 0.00 O ATOM 0 H ALA p 80 -16.176 16.731 -4.397 1.00 0.00 H new ATOM 0 HA ALA p 80 -18.313 16.243 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -19.722 17.263 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.119 16.776 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -18.462 18.491 -2.238 1.00 0.00 H new