USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 136:sc= 1.31 (180deg=-0.118) USER MOD Set 1.3: A 32 HIS : no HE2:sc= 0.796 K(o=2.1,f=-12!) USER MOD Set 2.1: A 16 SER OG : rot -124:sc= 0.515 USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0.472 USER MOD Single : A 1 ARG N :NH3+ -163:sc= -0.0289 (180deg=-0.314) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.84) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.104) USER MOD Single : A 13 ASN : amide:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.359 X(o=0.36,f=-0.044) USER MOD Single : A 37 ASN : amide:sc= -0.871 K(o=-0.87,f=-2.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0072 USER MOD Single : A 42 MET CE :methyl 172:sc= 0 (180deg=-0.0153) USER MOD Single : A 44 LYS NZ :NH3+ -143:sc=-0.00605 (180deg=-0.204) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.724 USER MOD Single : A 50 MET CE :methyl -139:sc= -0.0549 (180deg=-0.155) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= -0.0513 (180deg=-0.106) USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 1.58 (180deg=-0.806!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.914 9.577 -3.771 1.00 0.00 N ATOM 2 CA ARG A 1 -16.202 8.481 -4.715 1.00 0.00 C ATOM 3 C ARG A 1 -16.326 9.034 -6.132 1.00 0.00 C ATOM 4 O ARG A 1 -17.355 9.604 -6.482 1.00 0.00 O ATOM 5 CB ARG A 1 -17.495 7.752 -4.318 1.00 0.00 C ATOM 6 CG ARG A 1 -17.319 7.055 -2.963 1.00 0.00 C ATOM 7 CD ARG A 1 -18.618 6.332 -2.590 1.00 0.00 C ATOM 8 NE ARG A 1 -18.525 5.725 -1.253 1.00 0.00 N ATOM 9 CZ ARG A 1 -17.977 4.517 -1.020 1.00 0.00 C ATOM 10 NH1 ARG A 1 -17.406 3.825 -2.016 1.00 0.00 N ATOM 11 NH2 ARG A 1 -18.002 4.005 0.217 1.00 0.00 N ATOM 0 H1 ARG A 1 -15.550 9.182 -2.880 1.00 0.00 H new ATOM 0 H2 ARG A 1 -15.202 10.213 -4.184 1.00 0.00 H new ATOM 0 H3 ARG A 1 -16.786 10.111 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 1 -15.379 7.767 -4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -18.320 8.463 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -17.756 7.018 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -16.495 6.343 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -17.064 7.786 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -19.449 7.037 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -18.832 5.560 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 1 -18.896 6.248 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -17.384 4.213 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -16.993 2.911 -1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -18.435 4.529 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -17.588 3.091 0.399 1.00 0.00 H new ATOM 27 N LYS A 2 -15.271 8.869 -6.945 1.00 0.00 N ATOM 28 CA LYS A 2 -15.270 9.353 -8.323 1.00 0.00 C ATOM 29 C LYS A 2 -14.109 8.726 -9.105 1.00 0.00 C ATOM 30 O LYS A 2 -14.258 8.422 -10.286 1.00 0.00 O ATOM 31 CB LYS A 2 -15.188 10.891 -8.347 1.00 0.00 C ATOM 32 CG LYS A 2 -13.906 11.384 -7.658 1.00 0.00 C ATOM 33 CD LYS A 2 -14.019 12.885 -7.352 1.00 0.00 C ATOM 34 CE LYS A 2 -14.158 13.683 -8.654 1.00 0.00 C ATOM 35 NZ LYS A 2 -14.128 15.134 -8.391 1.00 0.00 N ATOM 0 H LYS A 2 -14.408 8.402 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.202 9.056 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.210 11.244 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.060 11.313 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.742 10.828 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.044 11.199 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.881 13.069 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.138 13.219 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.350 13.417 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.093 13.419 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.224 15.651 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.914 15.389 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.225 15.387 -7.940 1.00 0.00 H new ATOM 49 N ARG A 3 -12.958 8.534 -8.441 1.00 0.00 N ATOM 50 CA ARG A 3 -11.784 7.934 -9.064 1.00 0.00 C ATOM 51 C ARG A 3 -11.219 6.858 -8.144 1.00 0.00 C ATOM 52 O ARG A 3 -11.389 6.929 -6.925 1.00 0.00 O ATOM 53 CB ARG A 3 -10.733 9.018 -9.331 1.00 0.00 C ATOM 54 CG ARG A 3 -11.137 9.848 -10.554 1.00 0.00 C ATOM 55 CD ARG A 3 -10.065 10.905 -10.831 1.00 0.00 C ATOM 56 NE ARG A 3 -10.336 11.619 -12.087 1.00 0.00 N ATOM 57 CZ ARG A 3 -10.027 11.125 -13.302 1.00 0.00 C ATOM 58 NH1 ARG A 3 -9.487 9.903 -13.420 1.00 0.00 N ATOM 59 NH2 ARG A 3 -10.262 11.857 -14.398 1.00 0.00 N ATOM 0 H ARG A 3 -12.823 8.791 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.062 7.477 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.635 9.664 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.759 8.559 -9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.257 9.200 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.100 10.328 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.029 11.616 -10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.086 10.429 -10.884 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.781 12.535 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.308 9.342 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.255 9.535 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.674 12.786 -14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.029 11.486 -15.319 1.00 0.00 H new ATOM 73 N GLN A 4 -10.548 5.859 -8.730 1.00 0.00 N ATOM 74 CA GLN A 4 -9.963 4.768 -7.971 1.00 0.00 C ATOM 75 C GLN A 4 -8.665 5.240 -7.314 1.00 0.00 C ATOM 76 O GLN A 4 -7.574 5.014 -7.840 1.00 0.00 O ATOM 77 CB GLN A 4 -9.720 3.577 -8.911 1.00 0.00 C ATOM 78 CG GLN A 4 -9.153 2.378 -8.135 1.00 0.00 C ATOM 79 CD GLN A 4 -10.053 1.988 -6.970 1.00 0.00 C ATOM 80 OE1 GLN A 4 -9.786 2.352 -5.829 1.00 0.00 O ATOM 81 NE2 GLN A 4 -11.124 1.248 -7.258 1.00 0.00 N ATOM 0 H GLN A 4 -10.401 5.792 -9.737 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.641 4.448 -7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.654 3.294 -9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.026 3.866 -9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.040 1.528 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.159 2.623 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.306 0.968 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.761 0.962 -6.515 1.00 0.00 H new ATOM 90 N ALA A 5 -8.792 5.900 -6.158 1.00 0.00 N ATOM 91 CA ALA A 5 -7.645 6.393 -5.419 1.00 0.00 C ATOM 92 C ALA A 5 -7.095 5.271 -4.537 1.00 0.00 C ATOM 93 O ALA A 5 -6.222 4.525 -4.969 1.00 0.00 O ATOM 94 CB ALA A 5 -8.062 7.611 -4.588 1.00 0.00 C ATOM 0 H ALA A 5 -9.690 6.102 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.856 6.706 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.202 7.984 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.433 8.394 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.849 7.323 -3.890 1.00 0.00 H new ATOM 100 N TRP A 6 -7.611 5.157 -3.307 1.00 0.00 N ATOM 101 CA TRP A 6 -7.185 4.133 -2.361 1.00 0.00 C ATOM 102 C TRP A 6 -8.359 3.797 -1.446 1.00 0.00 C ATOM 103 O TRP A 6 -9.305 4.579 -1.345 1.00 0.00 O ATOM 104 CB TRP A 6 -6.003 4.654 -1.535 1.00 0.00 C ATOM 105 CG TRP A 6 -4.648 4.397 -2.118 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.032 5.156 -3.041 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.708 3.316 -1.821 1.00 0.00 C ATOM 108 NE1 TRP A 6 -2.794 4.649 -3.353 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.539 3.500 -2.627 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.714 2.200 -0.952 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.447 2.627 -2.575 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.612 1.318 -0.895 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.484 1.532 -1.707 1.00 0.00 C ATOM 0 H TRP A 6 -8.336 5.776 -2.945 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.868 3.237 -2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.123 5.729 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.046 4.200 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.455 6.048 -3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.151 5.063 -4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.573 2.020 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.583 2.798 -3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.636 0.473 -0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.647 0.851 -1.660 1.00 0.00 H new ATOM 124 N LEU A 7 -8.298 2.640 -0.774 1.00 0.00 N ATOM 125 CA LEU A 7 -9.350 2.231 0.140 1.00 0.00 C ATOM 126 C LEU A 7 -8.794 1.270 1.194 1.00 0.00 C ATOM 127 O LEU A 7 -7.677 0.763 1.061 1.00 0.00 O ATOM 128 CB LEU A 7 -10.522 1.606 -0.637 1.00 0.00 C ATOM 129 CG LEU A 7 -10.057 0.407 -1.481 1.00 0.00 C ATOM 130 CD1 LEU A 7 -11.150 -0.662 -1.477 1.00 0.00 C ATOM 131 CD2 LEU A 7 -9.799 0.850 -2.925 1.00 0.00 C ATOM 0 H LEU A 7 -7.527 1.977 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.731 3.110 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.294 1.284 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.973 2.357 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.136 0.006 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.827 -1.515 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.339 -0.986 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.065 -0.248 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.470 -0.006 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.717 1.253 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.026 1.618 -2.937 1.00 0.00 H new ATOM 143 N TRP A 8 -9.592 1.044 2.248 1.00 0.00 N ATOM 144 CA TRP A 8 -9.217 0.200 3.383 1.00 0.00 C ATOM 145 C TRP A 8 -8.596 -1.118 2.924 1.00 0.00 C ATOM 146 O TRP A 8 -7.590 -1.548 3.477 1.00 0.00 O ATOM 147 CB TRP A 8 -10.458 -0.082 4.244 1.00 0.00 C ATOM 148 CG TRP A 8 -11.475 1.016 4.270 1.00 0.00 C ATOM 149 CD1 TRP A 8 -11.540 2.009 5.174 1.00 0.00 C ATOM 150 CD2 TRP A 8 -12.585 1.255 3.353 1.00 0.00 C ATOM 151 NE1 TRP A 8 -12.592 2.851 4.904 1.00 0.00 N ATOM 152 CE2 TRP A 8 -13.279 2.431 3.778 1.00 0.00 C ATOM 153 CE3 TRP A 8 -13.078 0.603 2.198 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -14.396 2.928 3.100 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -14.204 1.100 1.510 1.00 0.00 C ATOM 156 CH2 TRP A 8 -14.860 2.260 1.960 1.00 0.00 C ATOM 0 H TRP A 8 -10.525 1.448 2.333 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.469 0.734 3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.936 -0.991 3.878 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -10.135 -0.281 5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -10.857 2.129 6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -12.834 3.673 5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.585 -0.288 1.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -14.896 3.818 3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -14.565 0.586 0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -15.721 2.635 1.427 1.00 0.00 H new ATOM 167 N GLU A 9 -9.205 -1.762 1.921 1.00 0.00 N ATOM 168 CA GLU A 9 -8.730 -3.043 1.420 1.00 0.00 C ATOM 169 C GLU A 9 -7.250 -2.954 1.050 1.00 0.00 C ATOM 170 O GLU A 9 -6.429 -3.680 1.610 1.00 0.00 O ATOM 171 CB GLU A 9 -9.570 -3.458 0.209 1.00 0.00 C ATOM 172 CG GLU A 9 -11.009 -3.748 0.653 1.00 0.00 C ATOM 173 CD GLU A 9 -11.884 -4.104 -0.541 1.00 0.00 C ATOM 174 OE1 GLU A 9 -11.620 -5.167 -1.142 1.00 0.00 O ATOM 175 OE2 GLU A 9 -12.801 -3.307 -0.831 1.00 0.00 O ATOM 0 H GLU A 9 -10.033 -1.408 1.442 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.836 -3.798 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.563 -2.666 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.138 -4.343 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.014 -4.569 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.419 -2.876 1.163 1.00 0.00 H new ATOM 182 N GLU A 10 -6.910 -2.063 0.110 1.00 0.00 N ATOM 183 CA GLU A 10 -5.535 -1.893 -0.335 1.00 0.00 C ATOM 184 C GLU A 10 -4.623 -1.600 0.858 1.00 0.00 C ATOM 185 O GLU A 10 -3.572 -2.218 0.996 1.00 0.00 O ATOM 186 CB GLU A 10 -5.459 -0.764 -1.363 1.00 0.00 C ATOM 187 CG GLU A 10 -6.126 -1.206 -2.668 1.00 0.00 C ATOM 188 CD GLU A 10 -5.845 -0.207 -3.779 1.00 0.00 C ATOM 189 OE1 GLU A 10 -4.742 -0.300 -4.369 1.00 0.00 O ATOM 190 OE2 GLU A 10 -6.734 0.634 -4.025 1.00 0.00 O ATOM 0 H GLU A 10 -7.578 -1.449 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.195 -2.816 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.952 0.127 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.418 -0.497 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.757 -2.191 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.202 -1.299 -2.519 1.00 0.00 H new ATOM 197 N ASP A 11 -5.029 -0.657 1.719 1.00 0.00 N ATOM 198 CA ASP A 11 -4.240 -0.282 2.888 1.00 0.00 C ATOM 199 C ASP A 11 -4.009 -1.495 3.802 1.00 0.00 C ATOM 200 O ASP A 11 -2.955 -1.608 4.430 1.00 0.00 O ATOM 201 CB ASP A 11 -4.967 0.830 3.654 1.00 0.00 C ATOM 202 CG ASP A 11 -4.965 2.139 2.871 1.00 0.00 C ATOM 203 OD1 ASP A 11 -3.852 2.609 2.542 1.00 0.00 O ATOM 204 OD2 ASP A 11 -6.075 2.654 2.617 1.00 0.00 O ATOM 0 H ASP A 11 -5.904 -0.141 1.622 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.266 0.080 2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.994 0.525 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.487 0.982 4.621 1.00 0.00 H new ATOM 209 N LYS A 12 -4.993 -2.397 3.883 1.00 0.00 N ATOM 210 CA LYS A 12 -4.897 -3.570 4.736 1.00 0.00 C ATOM 211 C LYS A 12 -3.822 -4.524 4.213 1.00 0.00 C ATOM 212 O LYS A 12 -2.884 -4.855 4.940 1.00 0.00 O ATOM 213 CB LYS A 12 -6.259 -4.266 4.804 1.00 0.00 C ATOM 214 CG LYS A 12 -6.232 -5.360 5.874 1.00 0.00 C ATOM 215 CD LYS A 12 -7.544 -6.145 5.821 1.00 0.00 C ATOM 216 CE LYS A 12 -7.523 -7.279 6.851 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.534 -6.755 8.230 1.00 0.00 N ATOM 0 H LYS A 12 -5.867 -2.330 3.362 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.610 -3.262 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.038 -3.539 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.505 -4.699 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.387 -6.028 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.098 -4.917 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.383 -5.479 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.692 -6.554 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.387 -7.926 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.635 -7.893 6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.707 -7.535 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.615 -6.316 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.288 -6.045 8.325 1.00 0.00 H new ATOM 231 N ASN A 13 -3.952 -4.980 2.957 1.00 0.00 N ATOM 232 CA ASN A 13 -2.981 -5.910 2.391 1.00 0.00 C ATOM 233 C ASN A 13 -1.620 -5.224 2.241 1.00 0.00 C ATOM 234 O ASN A 13 -0.593 -5.899 2.237 1.00 0.00 O ATOM 235 CB ASN A 13 -3.481 -6.491 1.059 1.00 0.00 C ATOM 236 CG ASN A 13 -3.792 -5.417 0.027 1.00 0.00 C ATOM 237 OD1 ASN A 13 -4.949 -5.095 -0.195 1.00 0.00 O ATOM 238 ND2 ASN A 13 -2.758 -4.874 -0.611 1.00 0.00 N ATOM 0 H ASN A 13 -4.711 -4.720 2.327 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.860 -6.750 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.727 -7.167 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.377 -7.085 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.915 -4.157 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.808 -5.175 -0.392 1.00 0.00 H new ATOM 245 N LEU A 14 -1.608 -3.885 2.141 1.00 0.00 N ATOM 246 CA LEU A 14 -0.365 -3.132 2.074 1.00 0.00 C ATOM 247 C LEU A 14 0.407 -3.356 3.372 1.00 0.00 C ATOM 248 O LEU A 14 1.594 -3.660 3.343 1.00 0.00 O ATOM 249 CB LEU A 14 -0.674 -1.638 1.872 1.00 0.00 C ATOM 250 CG LEU A 14 0.622 -0.806 1.843 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.352 -1.014 0.513 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.272 0.676 1.996 1.00 0.00 C ATOM 0 H LEU A 14 -2.450 -3.310 2.105 1.00 0.00 H new ATOM 0 HA LEU A 14 0.240 -3.469 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.221 -1.499 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.320 -1.284 2.676 1.00 0.00 H new ATOM 0 HG LEU A 14 1.269 -1.125 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.267 -0.421 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.602 -2.069 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.708 -0.701 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.186 1.270 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.378 0.983 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.242 0.832 2.945 1.00 0.00 H new ATOM 264 N ARG A 15 -0.279 -3.205 4.514 1.00 0.00 N ATOM 265 CA ARG A 15 0.342 -3.380 5.817 1.00 0.00 C ATOM 266 C ARG A 15 0.936 -4.783 5.927 1.00 0.00 C ATOM 267 O ARG A 15 2.105 -4.938 6.280 1.00 0.00 O ATOM 268 CB ARG A 15 -0.708 -3.145 6.911 1.00 0.00 C ATOM 269 CG ARG A 15 -0.051 -3.214 8.294 1.00 0.00 C ATOM 270 CD ARG A 15 -1.047 -2.746 9.360 1.00 0.00 C ATOM 271 NE ARG A 15 -0.394 -2.599 10.670 1.00 0.00 N ATOM 272 CZ ARG A 15 0.310 -1.508 11.030 1.00 0.00 C ATOM 273 NH1 ARG A 15 0.502 -0.507 10.158 1.00 0.00 N ATOM 274 NH2 ARG A 15 0.822 -1.423 12.264 1.00 0.00 N ATOM 0 H ARG A 15 -1.269 -2.961 4.552 1.00 0.00 H new ATOM 0 HA ARG A 15 1.150 -2.659 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.179 -2.172 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.496 -3.894 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.270 -4.234 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.841 -2.588 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.484 -1.794 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.865 -3.462 9.437 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.479 -3.363 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.114 -0.569 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.036 0.316 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.679 -2.183 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.355 -0.598 12.539 1.00 0.00 H new ATOM 288 N SER A 16 0.122 -5.799 5.624 1.00 0.00 N ATOM 289 CA SER A 16 0.551 -7.186 5.700 1.00 0.00 C ATOM 290 C SER A 16 1.780 -7.414 4.821 1.00 0.00 C ATOM 291 O SER A 16 2.819 -7.844 5.307 1.00 0.00 O ATOM 292 CB SER A 16 -0.604 -8.093 5.258 1.00 0.00 C ATOM 293 OG SER A 16 -0.190 -9.444 5.301 1.00 0.00 O ATOM 0 H SER A 16 -0.845 -5.678 5.322 1.00 0.00 H new ATOM 0 HA SER A 16 0.825 -7.425 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.465 -7.945 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.919 -7.831 4.248 1.00 0.00 H new ATOM 0 HG SER A 16 -0.325 -9.856 4.422 1.00 0.00 H new ATOM 299 N GLY A 17 1.649 -7.134 3.522 1.00 0.00 N ATOM 300 CA GLY A 17 2.715 -7.362 2.562 1.00 0.00 C ATOM 301 C GLY A 17 4.001 -6.638 2.950 1.00 0.00 C ATOM 302 O GLY A 17 5.040 -7.272 3.110 1.00 0.00 O ATOM 0 H GLY A 17 0.800 -6.744 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.911 -8.432 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.393 -7.025 1.577 1.00 0.00 H new ATOM 306 N VAL A 18 3.939 -5.311 3.082 1.00 0.00 N ATOM 307 CA VAL A 18 5.120 -4.504 3.368 1.00 0.00 C ATOM 308 C VAL A 18 5.849 -5.004 4.617 1.00 0.00 C ATOM 309 O VAL A 18 7.063 -5.182 4.584 1.00 0.00 O ATOM 310 CB VAL A 18 4.712 -3.032 3.519 1.00 0.00 C ATOM 311 CG1 VAL A 18 5.920 -2.206 3.967 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.217 -2.492 2.172 1.00 0.00 C ATOM 0 H VAL A 18 3.077 -4.773 2.994 1.00 0.00 H new ATOM 0 HA VAL A 18 5.815 -4.596 2.534 1.00 0.00 H new ATOM 0 HB VAL A 18 3.917 -2.959 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.627 -1.161 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.282 -2.581 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.712 -2.287 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.928 -1.447 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.014 -2.572 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.356 -3.073 1.841 1.00 0.00 H new ATOM 322 N ARG A 19 5.126 -5.219 5.718 1.00 0.00 N ATOM 323 CA ARG A 19 5.755 -5.635 6.965 1.00 0.00 C ATOM 324 C ARG A 19 6.245 -7.086 6.887 1.00 0.00 C ATOM 325 O ARG A 19 7.291 -7.408 7.447 1.00 0.00 O ATOM 326 CB ARG A 19 4.765 -5.450 8.124 1.00 0.00 C ATOM 327 CG ARG A 19 5.536 -5.186 9.424 1.00 0.00 C ATOM 328 CD ARG A 19 6.019 -3.730 9.452 1.00 0.00 C ATOM 329 NE ARG A 19 7.243 -3.594 10.257 1.00 0.00 N ATOM 330 CZ ARG A 19 8.169 -2.635 10.046 1.00 0.00 C ATOM 331 NH1 ARG A 19 8.016 -1.753 9.047 1.00 0.00 N ATOM 332 NH2 ARG A 19 9.248 -2.564 10.836 1.00 0.00 N ATOM 0 H ARG A 19 4.113 -5.112 5.768 1.00 0.00 H new ATOM 0 HA ARG A 19 6.631 -5.010 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.094 -4.618 7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.145 -6.340 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.896 -5.384 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.387 -5.863 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.209 -3.387 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.237 -3.092 9.863 1.00 0.00 H new ATOM 0 HE ARG A 19 7.400 -4.259 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.196 -1.805 8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.719 -1.030 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.369 -3.234 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.949 -1.840 10.678 1.00 0.00 H new ATOM 346 N LYS A 20 5.495 -7.960 6.207 1.00 0.00 N ATOM 347 CA LYS A 20 5.857 -9.369 6.106 1.00 0.00 C ATOM 348 C LYS A 20 7.111 -9.547 5.246 1.00 0.00 C ATOM 349 O LYS A 20 8.070 -10.183 5.678 1.00 0.00 O ATOM 350 CB LYS A 20 4.680 -10.160 5.525 1.00 0.00 C ATOM 351 CG LYS A 20 4.994 -11.658 5.558 1.00 0.00 C ATOM 352 CD LYS A 20 3.783 -12.445 5.046 1.00 0.00 C ATOM 353 CE LYS A 20 3.979 -13.942 5.314 1.00 0.00 C ATOM 354 NZ LYS A 20 5.175 -14.458 4.623 1.00 0.00 N ATOM 0 H LYS A 20 4.634 -7.712 5.720 1.00 0.00 H new ATOM 0 HA LYS A 20 6.082 -9.750 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.775 -9.956 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.487 -9.842 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.867 -11.871 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.239 -11.967 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.876 -12.095 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.652 -12.272 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.074 -14.112 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.099 -14.492 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.180 -15.497 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.160 -14.153 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.030 -14.088 5.086 1.00 0.00 H new ATOM 368 N TYR A 21 7.100 -8.998 4.026 1.00 0.00 N ATOM 369 CA TYR A 21 8.225 -9.132 3.111 1.00 0.00 C ATOM 370 C TYR A 21 9.390 -8.259 3.573 1.00 0.00 C ATOM 371 O TYR A 21 10.506 -8.754 3.721 1.00 0.00 O ATOM 372 CB TYR A 21 7.781 -8.759 1.692 1.00 0.00 C ATOM 373 CG TYR A 21 6.769 -9.731 1.109 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.105 -11.089 0.959 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.493 -9.280 0.721 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.167 -11.993 0.430 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.557 -10.185 0.192 1.00 0.00 C ATOM 378 CZ TYR A 21 4.892 -11.541 0.051 1.00 0.00 C ATOM 379 OH TYR A 21 3.980 -12.419 -0.456 1.00 0.00 O ATOM 0 H TYR A 21 6.320 -8.457 3.654 1.00 0.00 H new ATOM 0 HA TYR A 21 8.567 -10.167 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.349 -7.758 1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.655 -8.721 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.085 -11.438 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.233 -8.237 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.427 -13.035 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.579 -9.837 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 21 3.150 -11.943 -0.666 1.00 0.00 H new ATOM 389 N GLY A 22 9.136 -6.965 3.802 1.00 0.00 N ATOM 390 CA GLY A 22 10.171 -6.048 4.251 1.00 0.00 C ATOM 391 C GLY A 22 9.863 -4.627 3.790 1.00 0.00 C ATOM 392 O GLY A 22 9.358 -4.424 2.683 1.00 0.00 O ATOM 0 H GLY A 22 8.218 -6.536 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.243 -6.076 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.138 -6.362 3.859 1.00 0.00 H new ATOM 396 N GLU A 23 10.175 -3.642 4.647 1.00 0.00 N ATOM 397 CA GLU A 23 9.950 -2.240 4.334 1.00 0.00 C ATOM 398 C GLU A 23 10.964 -1.795 3.279 1.00 0.00 C ATOM 399 O GLU A 23 12.010 -1.236 3.604 1.00 0.00 O ATOM 400 CB GLU A 23 10.066 -1.409 5.620 1.00 0.00 C ATOM 401 CG GLU A 23 9.619 0.034 5.353 1.00 0.00 C ATOM 402 CD GLU A 23 9.430 0.799 6.659 1.00 0.00 C ATOM 403 OE1 GLU A 23 8.580 0.351 7.461 1.00 0.00 O ATOM 404 OE2 GLU A 23 10.132 1.817 6.831 1.00 0.00 O ATOM 0 H GLU A 23 10.586 -3.803 5.566 1.00 0.00 H new ATOM 0 HA GLU A 23 8.950 -2.092 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.451 -1.850 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.095 -1.419 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.361 0.540 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.685 0.031 4.791 1.00 0.00 H new ATOM 411 N GLY A 24 10.643 -2.059 2.012 1.00 0.00 N ATOM 412 CA GLY A 24 11.512 -1.720 0.898 1.00 0.00 C ATOM 413 C GLY A 24 10.982 -2.357 -0.384 1.00 0.00 C ATOM 414 O GLY A 24 11.147 -1.800 -1.467 1.00 0.00 O ATOM 0 H GLY A 24 9.773 -2.514 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.564 -0.637 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.525 -2.069 1.096 1.00 0.00 H new ATOM 418 N ASN A 25 10.338 -3.527 -0.258 1.00 0.00 N ATOM 419 CA ASN A 25 9.767 -4.222 -1.400 1.00 0.00 C ATOM 420 C ASN A 25 8.483 -3.514 -1.826 1.00 0.00 C ATOM 421 O ASN A 25 7.748 -3.013 -0.979 1.00 0.00 O ATOM 422 CB ASN A 25 9.475 -5.676 -1.018 1.00 0.00 C ATOM 423 CG ASN A 25 10.749 -6.403 -0.604 1.00 0.00 C ATOM 424 OD1 ASN A 25 10.951 -6.680 0.575 1.00 0.00 O ATOM 425 ND2 ASN A 25 11.608 -6.714 -1.575 1.00 0.00 N ATOM 0 H ASN A 25 10.204 -4.006 0.632 1.00 0.00 H new ATOM 0 HA ASN A 25 10.470 -4.214 -2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.756 -5.702 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.017 -6.192 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.475 -7.202 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.398 -6.464 -2.541 1.00 0.00 H new ATOM 432 N TRP A 26 8.214 -3.476 -3.140 1.00 0.00 N ATOM 433 CA TRP A 26 7.016 -2.833 -3.670 1.00 0.00 C ATOM 434 C TRP A 26 6.491 -3.631 -4.862 1.00 0.00 C ATOM 435 O TRP A 26 5.361 -4.111 -4.837 1.00 0.00 O ATOM 436 CB TRP A 26 7.341 -1.388 -4.071 1.00 0.00 C ATOM 437 CG TRP A 26 7.960 -0.567 -2.982 1.00 0.00 C ATOM 438 CD1 TRP A 26 9.203 -0.059 -2.997 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.392 -0.157 -1.699 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.471 0.625 -1.837 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.379 0.599 -0.989 1.00 0.00 C ATOM 442 CE3 TRP A 26 6.148 -0.348 -1.052 1.00 0.00 C ATOM 443 CZ2 TRP A 26 8.145 1.132 0.281 1.00 0.00 C ATOM 444 CZ3 TRP A 26 5.908 0.192 0.230 1.00 0.00 C ATOM 445 CH2 TRP A 26 6.905 0.929 0.894 1.00 0.00 C ATOM 0 H TRP A 26 8.817 -3.887 -3.853 1.00 0.00 H new ATOM 0 HA TRP A 26 6.240 -2.809 -2.905 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.017 -1.405 -4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.423 -0.900 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.900 -0.173 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.355 1.089 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.372 -0.914 -1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.916 1.696 0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.950 0.038 0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.713 1.337 1.875 1.00 0.00 H new ATOM 456 N SER A 27 7.319 -3.774 -5.906 1.00 0.00 N ATOM 457 CA SER A 27 6.943 -4.523 -7.097 1.00 0.00 C ATOM 458 C SER A 27 6.632 -5.971 -6.717 1.00 0.00 C ATOM 459 O SER A 27 5.606 -6.518 -7.123 1.00 0.00 O ATOM 460 CB SER A 27 8.088 -4.461 -8.109 1.00 0.00 C ATOM 461 OG SER A 27 9.309 -4.761 -7.464 1.00 0.00 O ATOM 0 H SER A 27 8.257 -3.376 -5.942 1.00 0.00 H new ATOM 0 HA SER A 27 6.051 -4.087 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.910 -5.169 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.137 -3.469 -8.558 1.00 0.00 H new ATOM 0 HG SER A 27 10.041 -4.722 -8.115 1.00 0.00 H new ATOM 467 N LYS A 28 7.523 -6.584 -5.929 1.00 0.00 N ATOM 468 CA LYS A 28 7.347 -7.953 -5.469 1.00 0.00 C ATOM 469 C LYS A 28 6.007 -8.087 -4.743 1.00 0.00 C ATOM 470 O LYS A 28 5.277 -9.051 -4.959 1.00 0.00 O ATOM 471 CB LYS A 28 8.514 -8.319 -4.544 1.00 0.00 C ATOM 472 CG LYS A 28 8.316 -9.727 -3.974 1.00 0.00 C ATOM 473 CD LYS A 28 9.599 -10.177 -3.267 1.00 0.00 C ATOM 474 CE LYS A 28 9.340 -11.459 -2.469 1.00 0.00 C ATOM 475 NZ LYS A 28 8.888 -12.555 -3.344 1.00 0.00 N ATOM 0 H LYS A 28 8.380 -6.142 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 28 7.340 -8.638 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.453 -8.271 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.584 -7.596 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.481 -9.733 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.066 -10.423 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.386 -10.349 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.951 -9.390 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.251 -11.757 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.587 -11.268 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.385 -13.432 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.863 -12.691 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.096 -12.317 -4.335 1.00 0.00 H new ATOM 489 N ILE A 29 5.686 -7.114 -3.883 1.00 0.00 N ATOM 490 CA ILE A 29 4.437 -7.130 -3.135 1.00 0.00 C ATOM 491 C ILE A 29 3.262 -7.053 -4.108 1.00 0.00 C ATOM 492 O ILE A 29 2.280 -7.769 -3.943 1.00 0.00 O ATOM 493 CB ILE A 29 4.408 -5.959 -2.141 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.713 -5.944 -1.326 1.00 0.00 C ATOM 495 CG2 ILE A 29 3.206 -6.123 -1.202 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.595 -4.973 -0.154 1.00 0.00 C ATOM 0 H ILE A 29 6.279 -6.307 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 29 4.358 -8.057 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 29 4.317 -5.018 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.930 -6.946 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.546 -5.653 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.181 -5.294 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.286 -6.129 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.296 -7.063 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.526 -4.973 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.400 -3.969 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.775 -5.283 0.494 1.00 0.00 H new ATOM 508 N LEU A 30 3.375 -6.187 -5.125 1.00 0.00 N ATOM 509 CA LEU A 30 2.336 -6.028 -6.135 1.00 0.00 C ATOM 510 C LEU A 30 2.077 -7.367 -6.836 1.00 0.00 C ATOM 511 O LEU A 30 0.949 -7.660 -7.223 1.00 0.00 O ATOM 512 CB LEU A 30 2.776 -4.956 -7.148 1.00 0.00 C ATOM 513 CG LEU A 30 1.630 -3.971 -7.426 1.00 0.00 C ATOM 514 CD1 LEU A 30 2.154 -2.820 -8.288 1.00 0.00 C ATOM 515 CD2 LEU A 30 0.490 -4.678 -8.165 1.00 0.00 C ATOM 0 H LEU A 30 4.186 -5.584 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 30 1.407 -5.708 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.641 -4.416 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.087 -5.432 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 30 1.253 -3.587 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.345 -2.118 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.957 -2.307 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.534 -3.215 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.315 -3.969 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.859 -5.071 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.114 -5.498 -7.554 1.00 0.00 H new ATOM 527 N LEU A 31 3.130 -8.179 -6.997 1.00 0.00 N ATOM 528 CA LEU A 31 3.011 -9.478 -7.638 1.00 0.00 C ATOM 529 C LEU A 31 2.171 -10.419 -6.770 1.00 0.00 C ATOM 530 O LEU A 31 1.345 -11.167 -7.287 1.00 0.00 O ATOM 531 CB LEU A 31 4.413 -10.061 -7.862 1.00 0.00 C ATOM 532 CG LEU A 31 4.368 -11.169 -8.924 1.00 0.00 C ATOM 533 CD1 LEU A 31 4.373 -10.551 -10.327 1.00 0.00 C ATOM 534 CD2 LEU A 31 5.589 -12.075 -8.766 1.00 0.00 C ATOM 0 H LEU A 31 4.075 -7.950 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 31 2.512 -9.366 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.095 -9.272 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.801 -10.461 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 31 3.457 -11.752 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.341 -11.344 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.501 -9.907 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.280 -9.962 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.558 -12.862 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.498 -11.486 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.583 -12.523 -7.773 1.00 0.00 H new ATOM 546 N HIS A 32 2.393 -10.384 -5.449 1.00 0.00 N ATOM 547 CA HIS A 32 1.685 -11.254 -4.519 1.00 0.00 C ATOM 548 C HIS A 32 0.303 -10.684 -4.193 1.00 0.00 C ATOM 549 O HIS A 32 -0.711 -11.254 -4.594 1.00 0.00 O ATOM 550 CB HIS A 32 2.527 -11.417 -3.249 1.00 0.00 C ATOM 551 CG HIS A 32 3.882 -12.010 -3.532 1.00 0.00 C ATOM 552 ND1 HIS A 32 4.048 -13.252 -4.135 1.00 0.00 N ATOM 553 CD2 HIS A 32 5.154 -11.553 -3.311 1.00 0.00 C ATOM 554 CE1 HIS A 32 5.376 -13.460 -4.234 1.00 0.00 C ATOM 555 NE2 HIS A 32 6.112 -12.458 -3.748 1.00 0.00 N ATOM 0 H HIS A 32 3.063 -9.756 -5.005 1.00 0.00 H new ATOM 0 HA HIS A 32 1.535 -12.232 -4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.651 -10.445 -2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.995 -12.054 -2.542 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.308 -13.883 -4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.384 -10.603 -2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.804 -14.353 -4.666 1.00 0.00 H new ATOM 563 N TYR A 33 0.261 -9.565 -3.462 1.00 0.00 N ATOM 564 CA TYR A 33 -0.994 -8.939 -3.074 1.00 0.00 C ATOM 565 C TYR A 33 -1.515 -8.076 -4.220 1.00 0.00 C ATOM 566 O TYR A 33 -0.737 -7.446 -4.930 1.00 0.00 O ATOM 567 CB TYR A 33 -0.780 -8.099 -1.814 1.00 0.00 C ATOM 568 CG TYR A 33 -0.660 -8.931 -0.554 1.00 0.00 C ATOM 569 CD1 TYR A 33 -1.810 -9.507 0.018 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.595 -9.129 0.049 1.00 0.00 C ATOM 571 CE1 TYR A 33 -1.705 -10.270 1.192 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.698 -9.898 1.221 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.453 -10.465 1.795 1.00 0.00 C ATOM 574 OH TYR A 33 -0.354 -11.203 2.938 1.00 0.00 O ATOM 0 H TYR A 33 1.092 -9.076 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.736 -9.707 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.123 -7.500 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.612 -7.403 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.774 -9.362 -0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.480 -8.690 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.589 -10.707 1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.663 -10.053 1.681 1.00 0.00 H new ATOM 0 HH TYR A 33 0.583 -11.240 3.223 1.00 0.00 H new ATOM 584 N LYS A 34 -2.839 -8.059 -4.397 1.00 0.00 N ATOM 585 CA LYS A 34 -3.472 -7.305 -5.465 1.00 0.00 C ATOM 586 C LYS A 34 -3.694 -5.855 -5.031 1.00 0.00 C ATOM 587 O LYS A 34 -4.050 -5.594 -3.883 1.00 0.00 O ATOM 588 CB LYS A 34 -4.804 -7.985 -5.819 1.00 0.00 C ATOM 589 CG LYS A 34 -5.536 -7.226 -6.940 1.00 0.00 C ATOM 590 CD LYS A 34 -4.720 -7.271 -8.239 1.00 0.00 C ATOM 591 CE LYS A 34 -5.553 -6.689 -9.385 1.00 0.00 C ATOM 592 NZ LYS A 34 -4.746 -6.560 -10.612 1.00 0.00 N ATOM 0 H LYS A 34 -3.494 -8.568 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.829 -7.290 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.619 -9.012 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.438 -8.032 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.519 -7.668 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.698 -6.190 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.797 -6.703 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.435 -8.298 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.413 -7.331 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.942 -5.712 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.333 -6.164 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.939 -5.929 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.396 -7.497 -10.897 1.00 0.00 H new ATOM 606 N PHE A 35 -3.489 -4.922 -5.970 1.00 0.00 N ATOM 607 CA PHE A 35 -3.701 -3.501 -5.740 1.00 0.00 C ATOM 608 C PHE A 35 -4.468 -2.923 -6.931 1.00 0.00 C ATOM 609 O PHE A 35 -4.695 -3.627 -7.918 1.00 0.00 O ATOM 610 CB PHE A 35 -2.355 -2.793 -5.583 1.00 0.00 C ATOM 611 CG PHE A 35 -1.586 -3.192 -4.345 1.00 0.00 C ATOM 612 CD1 PHE A 35 -0.759 -4.326 -4.366 1.00 0.00 C ATOM 613 CD2 PHE A 35 -1.683 -2.416 -3.177 1.00 0.00 C ATOM 614 CE1 PHE A 35 -0.029 -4.685 -3.223 1.00 0.00 C ATOM 615 CE2 PHE A 35 -0.952 -2.774 -2.034 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.123 -3.909 -2.055 1.00 0.00 C ATOM 0 H PHE A 35 -3.170 -5.141 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.276 -3.352 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.743 -3.002 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.524 -1.716 -5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.685 -4.923 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.320 -1.544 -3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.606 -5.559 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.026 -2.177 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.440 -4.184 -1.176 1.00 0.00 H new ATOM 626 N ASN A 36 -4.861 -1.646 -6.841 1.00 0.00 N ATOM 627 CA ASN A 36 -5.600 -0.980 -7.907 1.00 0.00 C ATOM 628 C ASN A 36 -4.729 0.098 -8.536 1.00 0.00 C ATOM 629 O ASN A 36 -4.399 1.079 -7.880 1.00 0.00 O ATOM 630 CB ASN A 36 -6.880 -0.365 -7.340 1.00 0.00 C ATOM 631 CG ASN A 36 -7.801 -1.438 -6.765 1.00 0.00 C ATOM 632 OD1 ASN A 36 -8.145 -2.396 -7.451 1.00 0.00 O ATOM 633 ND2 ASN A 36 -8.198 -1.274 -5.505 1.00 0.00 N ATOM 0 H ASN A 36 -4.675 -1.054 -6.031 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.869 -1.707 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.627 0.355 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.402 0.183 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.814 -1.961 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.886 -0.461 -4.974 1.00 0.00 H new ATOM 640 N ASN A 37 -4.366 -0.092 -9.816 1.00 0.00 N ATOM 641 CA ASN A 37 -3.540 0.855 -10.573 1.00 0.00 C ATOM 642 C ASN A 37 -2.392 1.416 -9.717 1.00 0.00 C ATOM 643 O ASN A 37 -2.124 2.619 -9.736 1.00 0.00 O ATOM 644 CB ASN A 37 -4.423 1.977 -11.159 1.00 0.00 C ATOM 645 CG ASN A 37 -5.265 2.677 -10.092 1.00 0.00 C ATOM 646 OD1 ASN A 37 -6.430 2.340 -9.901 1.00 0.00 O ATOM 647 ND2 ASN A 37 -4.679 3.656 -9.403 1.00 0.00 N ATOM 0 H ASN A 37 -4.641 -0.913 -10.355 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.075 0.321 -11.402 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.789 2.711 -11.657 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.082 1.557 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.201 4.157 -8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.708 3.904 -9.594 1.00 0.00 H new ATOM 654 N ARG A 38 -1.706 0.532 -8.978 1.00 0.00 N ATOM 655 CA ARG A 38 -0.561 0.919 -8.160 1.00 0.00 C ATOM 656 C ARG A 38 0.707 0.885 -9.013 1.00 0.00 C ATOM 657 O ARG A 38 0.706 0.314 -10.105 1.00 0.00 O ATOM 658 CB ARG A 38 -0.432 -0.046 -6.974 1.00 0.00 C ATOM 659 CG ARG A 38 -0.689 0.686 -5.649 1.00 0.00 C ATOM 660 CD ARG A 38 -2.174 1.038 -5.514 1.00 0.00 C ATOM 661 NE ARG A 38 -2.451 2.402 -5.973 1.00 0.00 N ATOM 662 CZ ARG A 38 -3.649 2.987 -5.827 1.00 0.00 C ATOM 663 NH1 ARG A 38 -4.643 2.343 -5.207 1.00 0.00 N ATOM 664 NH2 ARG A 38 -3.853 4.220 -6.301 1.00 0.00 N ATOM 0 H ARG A 38 -1.931 -0.462 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.703 1.930 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.142 -0.865 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.565 -0.487 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.380 0.058 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.088 1.594 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.770 0.331 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.479 0.935 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.702 2.928 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.492 1.402 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.552 2.792 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.098 4.716 -6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.764 4.665 -6.190 1.00 0.00 H new ATOM 678 N THR A 39 1.790 1.495 -8.507 1.00 0.00 N ATOM 679 CA THR A 39 3.064 1.523 -9.213 1.00 0.00 C ATOM 680 C THR A 39 4.207 1.321 -8.208 1.00 0.00 C ATOM 681 O THR A 39 4.643 0.192 -7.998 1.00 0.00 O ATOM 682 CB THR A 39 3.195 2.853 -9.979 1.00 0.00 C ATOM 683 OG1 THR A 39 2.085 3.009 -10.837 1.00 0.00 O ATOM 684 CG2 THR A 39 4.478 2.851 -10.815 1.00 0.00 C ATOM 0 H THR A 39 1.800 1.975 -7.607 1.00 0.00 H new ATOM 0 HA THR A 39 3.115 0.714 -9.942 1.00 0.00 H new ATOM 0 HB THR A 39 3.232 3.675 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.165 3.855 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.563 3.795 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.340 2.729 -10.159 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.446 2.028 -11.529 1.00 0.00 H new ATOM 692 N SER A 40 4.689 2.414 -7.590 1.00 0.00 N ATOM 693 CA SER A 40 5.779 2.347 -6.624 1.00 0.00 C ATOM 694 C SER A 40 5.627 3.475 -5.606 1.00 0.00 C ATOM 695 O SER A 40 5.426 3.219 -4.421 1.00 0.00 O ATOM 696 CB SER A 40 7.124 2.459 -7.357 1.00 0.00 C ATOM 697 OG SER A 40 7.284 1.362 -8.230 1.00 0.00 O ATOM 0 H SER A 40 4.332 3.356 -7.750 1.00 0.00 H new ATOM 0 HA SER A 40 5.747 1.393 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.166 3.392 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.941 2.484 -6.636 1.00 0.00 H new ATOM 0 HG SER A 40 8.142 1.438 -8.697 1.00 0.00 H new ATOM 703 N VAL A 41 5.723 4.726 -6.079 1.00 0.00 N ATOM 704 CA VAL A 41 5.602 5.899 -5.220 1.00 0.00 C ATOM 705 C VAL A 41 4.277 5.855 -4.458 1.00 0.00 C ATOM 706 O VAL A 41 4.226 6.213 -3.284 1.00 0.00 O ATOM 707 CB VAL A 41 5.698 7.170 -6.083 1.00 0.00 C ATOM 708 CG1 VAL A 41 5.495 8.411 -5.209 1.00 0.00 C ATOM 709 CG2 VAL A 41 7.077 7.241 -6.749 1.00 0.00 C ATOM 0 H VAL A 41 5.886 4.946 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 41 6.411 5.907 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 41 4.923 7.136 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.564 9.306 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.512 8.369 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.264 8.442 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.141 8.142 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.851 7.267 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.222 6.365 -7.381 1.00 0.00 H new ATOM 719 N MET A 42 3.211 5.408 -5.134 1.00 0.00 N ATOM 720 CA MET A 42 1.889 5.312 -4.533 1.00 0.00 C ATOM 721 C MET A 42 1.954 4.485 -3.247 1.00 0.00 C ATOM 722 O MET A 42 1.288 4.812 -2.269 1.00 0.00 O ATOM 723 CB MET A 42 0.918 4.662 -5.533 1.00 0.00 C ATOM 724 CG MET A 42 0.417 5.696 -6.553 1.00 0.00 C ATOM 725 SD MET A 42 1.655 6.220 -7.771 1.00 0.00 S ATOM 726 CE MET A 42 2.033 7.865 -7.116 1.00 0.00 C ATOM 0 H MET A 42 3.247 5.106 -6.108 1.00 0.00 H new ATOM 0 HA MET A 42 1.533 6.312 -4.285 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.417 3.844 -6.052 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.071 4.231 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.440 5.279 -7.082 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.062 6.575 -6.015 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.881 8.286 -7.656 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.166 8.514 -7.240 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.279 7.787 -6.057 1.00 0.00 H new ATOM 736 N LEU A 43 2.756 3.410 -3.256 1.00 0.00 N ATOM 737 CA LEU A 43 2.885 2.528 -2.106 1.00 0.00 C ATOM 738 C LEU A 43 3.821 3.148 -1.067 1.00 0.00 C ATOM 739 O LEU A 43 3.542 3.086 0.130 1.00 0.00 O ATOM 740 CB LEU A 43 3.418 1.160 -2.555 1.00 0.00 C ATOM 741 CG LEU A 43 2.453 0.509 -3.561 1.00 0.00 C ATOM 742 CD1 LEU A 43 2.994 0.668 -4.986 1.00 0.00 C ATOM 743 CD2 LEU A 43 2.314 -0.984 -3.245 1.00 0.00 C ATOM 0 H LEU A 43 3.325 3.136 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 43 1.904 2.392 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.402 1.278 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.543 0.510 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 43 1.482 0.998 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.304 0.204 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.095 1.728 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.969 0.186 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.630 -1.445 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.290 -1.463 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.922 -1.107 -2.235 1.00 0.00 H new ATOM 755 N LYS A 44 4.937 3.741 -1.524 1.00 0.00 N ATOM 756 CA LYS A 44 5.915 4.348 -0.625 1.00 0.00 C ATOM 757 C LYS A 44 5.254 5.423 0.233 1.00 0.00 C ATOM 758 O LYS A 44 5.303 5.354 1.459 1.00 0.00 O ATOM 759 CB LYS A 44 7.066 4.962 -1.431 1.00 0.00 C ATOM 760 CG LYS A 44 7.777 3.884 -2.259 1.00 0.00 C ATOM 761 CD LYS A 44 9.301 4.053 -2.151 1.00 0.00 C ATOM 762 CE LYS A 44 9.738 5.416 -2.710 1.00 0.00 C ATOM 763 NZ LYS A 44 9.466 5.520 -4.154 1.00 0.00 N ATOM 0 H LYS A 44 5.178 3.809 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 44 6.312 3.571 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.682 5.740 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.777 5.438 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.487 2.894 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.469 3.954 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.608 3.966 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.800 3.253 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.213 6.212 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.803 5.561 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.233 6.050 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.408 4.567 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.565 6.017 -4.303 1.00 0.00 H new ATOM 777 N ASP A 45 4.646 6.420 -0.418 1.00 0.00 N ATOM 778 CA ASP A 45 4.007 7.534 0.271 1.00 0.00 C ATOM 779 C ASP A 45 2.941 7.022 1.236 1.00 0.00 C ATOM 780 O ASP A 45 2.854 7.486 2.377 1.00 0.00 O ATOM 781 CB ASP A 45 3.383 8.479 -0.765 1.00 0.00 C ATOM 782 CG ASP A 45 4.440 9.103 -1.678 1.00 0.00 C ATOM 783 OD1 ASP A 45 5.642 8.871 -1.414 1.00 0.00 O ATOM 784 OD2 ASP A 45 4.022 9.801 -2.626 1.00 0.00 O ATOM 0 H ASP A 45 4.586 6.473 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 45 4.755 8.077 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.661 7.930 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.835 9.269 -0.252 1.00 0.00 H new ATOM 789 N ARG A 46 2.125 6.068 0.775 1.00 0.00 N ATOM 790 CA ARG A 46 1.058 5.507 1.585 1.00 0.00 C ATOM 791 C ARG A 46 1.619 4.894 2.859 1.00 0.00 C ATOM 792 O ARG A 46 1.228 5.292 3.946 1.00 0.00 O ATOM 793 CB ARG A 46 0.294 4.459 0.773 1.00 0.00 C ATOM 794 CG ARG A 46 -0.875 5.131 0.053 1.00 0.00 C ATOM 795 CD ARG A 46 -2.127 5.044 0.929 1.00 0.00 C ATOM 796 NE ARG A 46 -3.141 6.013 0.498 1.00 0.00 N ATOM 797 CZ ARG A 46 -4.384 6.050 1.009 1.00 0.00 C ATOM 798 NH1 ARG A 46 -4.808 5.074 1.821 1.00 0.00 N ATOM 799 NH2 ARG A 46 -5.201 7.067 0.704 1.00 0.00 N ATOM 0 H ARG A 46 2.191 5.671 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 46 0.371 6.304 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.959 3.987 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.073 3.670 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.636 6.174 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.054 4.645 -0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.539 4.036 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.860 5.230 1.969 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.891 6.690 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.187 4.299 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.752 5.106 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.880 7.811 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.144 7.097 1.091 1.00 0.00 H new ATOM 813 N TRP A 47 2.527 3.923 2.731 1.00 0.00 N ATOM 814 CA TRP A 47 3.093 3.257 3.894 1.00 0.00 C ATOM 815 C TRP A 47 3.791 4.267 4.803 1.00 0.00 C ATOM 816 O TRP A 47 3.595 4.246 6.016 1.00 0.00 O ATOM 817 CB TRP A 47 4.074 2.173 3.450 1.00 0.00 C ATOM 818 CG TRP A 47 4.676 1.412 4.589 1.00 0.00 C ATOM 819 CD1 TRP A 47 5.987 1.323 4.873 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.002 0.645 5.632 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.194 0.568 6.003 1.00 0.00 N ATOM 822 CE2 TRP A 47 4.993 0.120 6.520 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.653 0.341 5.930 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.664 -0.657 7.634 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.319 -0.442 7.053 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.322 -0.940 7.902 1.00 0.00 C ATOM 0 H TRP A 47 2.881 3.586 1.836 1.00 0.00 H new ATOM 0 HA TRP A 47 2.285 2.791 4.457 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.559 1.476 2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.873 2.633 2.868 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.772 1.783 4.291 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.109 0.366 6.405 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.869 0.714 5.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.440 -1.036 8.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.283 -0.661 7.263 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.056 -1.540 8.760 1.00 0.00 H new ATOM 837 N ARG A 48 4.608 5.146 4.211 1.00 0.00 N ATOM 838 CA ARG A 48 5.353 6.154 4.954 1.00 0.00 C ATOM 839 C ARG A 48 4.431 6.919 5.907 1.00 0.00 C ATOM 840 O ARG A 48 4.797 7.159 7.060 1.00 0.00 O ATOM 841 CB ARG A 48 6.023 7.108 3.946 1.00 0.00 C ATOM 842 CG ARG A 48 6.545 8.379 4.638 1.00 0.00 C ATOM 843 CD ARG A 48 7.609 8.024 5.683 1.00 0.00 C ATOM 844 NE ARG A 48 8.123 9.235 6.339 1.00 0.00 N ATOM 845 CZ ARG A 48 7.449 9.906 7.296 1.00 0.00 C ATOM 846 NH1 ARG A 48 6.248 9.476 7.711 1.00 0.00 N ATOM 847 NH2 ARG A 48 7.984 11.009 7.837 1.00 0.00 N ATOM 0 H ARG A 48 4.767 5.174 3.204 1.00 0.00 H new ATOM 0 HA ARG A 48 6.118 5.673 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.848 6.596 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.307 7.382 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.968 9.056 3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.719 8.905 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.182 7.354 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.429 7.488 5.205 1.00 0.00 H new ATOM 0 HE ARG A 48 9.038 9.587 6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.838 8.636 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.745 9.989 8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.898 11.338 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.478 11.519 8.561 1.00 0.00 H new ATOM 861 N THR A 49 3.250 7.311 5.424 1.00 0.00 N ATOM 862 CA THR A 49 2.313 8.094 6.215 1.00 0.00 C ATOM 863 C THR A 49 1.461 7.196 7.119 1.00 0.00 C ATOM 864 O THR A 49 1.387 7.418 8.321 1.00 0.00 O ATOM 865 CB THR A 49 1.419 8.903 5.263 1.00 0.00 C ATOM 866 OG1 THR A 49 2.224 9.562 4.307 1.00 0.00 O ATOM 867 CG2 THR A 49 0.620 9.941 6.053 1.00 0.00 C ATOM 0 H THR A 49 2.923 7.095 4.482 1.00 0.00 H new ATOM 0 HA THR A 49 2.871 8.769 6.863 1.00 0.00 H new ATOM 0 HB THR A 49 0.729 8.225 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.488 8.927 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.011 10.510 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.005 9.436 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.306 10.618 6.562 1.00 0.00 H new ATOM 875 N MET A 50 0.806 6.197 6.530 1.00 0.00 N ATOM 876 CA MET A 50 -0.109 5.318 7.249 1.00 0.00 C ATOM 877 C MET A 50 0.559 4.641 8.456 1.00 0.00 C ATOM 878 O MET A 50 -0.076 4.493 9.498 1.00 0.00 O ATOM 879 CB MET A 50 -0.643 4.264 6.272 1.00 0.00 C ATOM 880 CG MET A 50 -1.934 3.643 6.820 1.00 0.00 C ATOM 881 SD MET A 50 -2.212 1.935 6.287 1.00 0.00 S ATOM 882 CE MET A 50 -1.006 1.109 7.352 1.00 0.00 C ATOM 0 H MET A 50 0.896 5.975 5.538 1.00 0.00 H new ATOM 0 HA MET A 50 -0.927 5.920 7.644 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.834 4.721 5.301 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.106 3.487 6.117 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.906 3.673 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.781 4.253 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.494 0.330 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.277 1.837 7.709 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.519 0.661 8.203 1.00 0.00 H new ATOM 892 N LYS A 51 1.824 4.212 8.321 1.00 0.00 N ATOM 893 CA LYS A 51 2.503 3.486 9.395 1.00 0.00 C ATOM 894 C LYS A 51 2.848 4.392 10.589 1.00 0.00 C ATOM 895 O LYS A 51 3.414 3.909 11.569 1.00 0.00 O ATOM 896 CB LYS A 51 3.758 2.790 8.842 1.00 0.00 C ATOM 897 CG LYS A 51 4.957 3.747 8.811 1.00 0.00 C ATOM 898 CD LYS A 51 6.140 3.046 8.135 1.00 0.00 C ATOM 899 CE LYS A 51 7.454 3.717 8.538 1.00 0.00 C ATOM 900 NZ LYS A 51 7.545 5.080 7.993 1.00 0.00 N ATOM 0 H LYS A 51 2.390 4.356 7.484 1.00 0.00 H new ATOM 0 HA LYS A 51 1.815 2.730 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.997 1.923 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.558 2.421 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.699 4.656 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.226 4.046 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.159 1.994 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.022 3.082 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.529 3.751 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.294 3.122 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.388 5.552 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.616 5.035 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.695 5.618 8.259 1.00 0.00 H new ATOM 914 N LYS A 52 2.513 5.690 10.527 1.00 0.00 N ATOM 915 CA LYS A 52 2.798 6.599 11.631 1.00 0.00 C ATOM 916 C LYS A 52 1.821 6.343 12.784 1.00 0.00 C ATOM 917 O LYS A 52 2.250 6.186 13.927 1.00 0.00 O ATOM 918 CB LYS A 52 2.716 8.059 11.138 1.00 0.00 C ATOM 919 CG LYS A 52 2.537 9.044 12.311 1.00 0.00 C ATOM 920 CD LYS A 52 3.705 8.938 13.307 1.00 0.00 C ATOM 921 CE LYS A 52 3.273 9.483 14.675 1.00 0.00 C ATOM 922 NZ LYS A 52 2.227 8.634 15.289 1.00 0.00 N ATOM 0 H LYS A 52 2.049 6.124 9.729 1.00 0.00 H new ATOM 0 HA LYS A 52 3.808 6.422 12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.623 8.309 10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.882 8.163 10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.473 10.062 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.598 8.837 12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.020 7.899 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.563 9.499 12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.137 9.534 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.898 10.500 14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.317 8.666 16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.288 8.985 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.340 7.653 14.962 1.00 0.00 H new ATOM 936 N LEU A 53 0.510 6.315 12.478 1.00 0.00 N ATOM 937 CA LEU A 53 -0.536 6.133 13.487 1.00 0.00 C ATOM 938 C LEU A 53 -0.346 7.154 14.616 1.00 0.00 C ATOM 939 O LEU A 53 -0.301 8.357 14.272 1.00 0.00 O ATOM 940 CB LEU A 53 -0.519 4.692 14.034 1.00 0.00 C ATOM 941 CG LEU A 53 -1.076 3.716 12.984 1.00 0.00 C ATOM 942 CD1 LEU A 53 0.071 2.947 12.332 1.00 0.00 C ATOM 943 CD2 LEU A 53 -2.028 2.725 13.658 1.00 0.00 C ATOM 944 OXT LEU A 53 0.066 6.712 15.710 1.00 0.00 O ATOM 0 H LEU A 53 0.153 6.418 11.528 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.510 6.299 13.026 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.499 4.409 14.300 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.114 4.635 14.946 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.613 4.281 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.329 2.257 11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.750 3.648 11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.612 2.386 13.094 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.422 2.034 12.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.489 2.165 14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.852 3.269 14.120 1.00 0.00 H new TER 956 LEU A 53