USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 515 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 30 SER OG : rot 92:sc= -0.408 USER MOD Set 1.2: A 44 HIS : no HE2:sc= -0.486 K(o=-1.8,f=-2.9) USER MOD Set 1.3: A 45 ASN : amide:sc= -0.826 K(o=-1.8,f=-0.25) USER MOD Set 1.4: A 49 TYR OH : rot 180:sc= -0.104 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.704 K(o=-1,f=-3.1!) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.321 K(o=-1,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.134 (180deg=-0.149) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 162:sc= 0 (180deg=-0.313) USER MOD Single : A 6 ASN : amide:sc= 0.181 X(o=0.18,f=-0.096) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00653 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0343) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -0.682 (180deg=-2.81!) USER MOD Single : A 54 THR OG1 : rot 141:sc= -1.13 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -7:sc= -0.145 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.031 16.748 -11.925 1.00 0.00 N ATOM 2 CA MET A 1 40.627 17.034 -10.528 1.00 0.00 C ATOM 3 C MET A 1 41.847 17.213 -9.597 1.00 0.00 C ATOM 4 O MET A 1 41.687 17.642 -8.444 1.00 0.00 O ATOM 5 CB MET A 1 39.706 15.898 -9.997 1.00 0.00 C ATOM 6 CG MET A 1 40.368 14.512 -9.925 1.00 0.00 C ATOM 7 SD MET A 1 39.231 13.224 -9.376 1.00 0.00 S ATOM 8 CE MET A 1 40.310 11.799 -9.272 1.00 0.00 C ATOM 0 H1 MET A 1 40.184 16.568 -12.501 1.00 0.00 H new ATOM 0 H2 MET A 1 41.546 17.565 -12.312 1.00 0.00 H new ATOM 0 H3 MET A 1 41.647 15.910 -11.944 1.00 0.00 H new ATOM 0 HA MET A 1 40.078 17.976 -10.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 39.355 16.170 -9.001 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.827 15.832 -10.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.760 14.250 -10.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 41.218 14.555 -9.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 39.737 10.932 -8.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 40.743 11.598 -10.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 41.108 11.998 -8.557 1.00 0.00 H new ATOM 20 N SER A 2 43.061 16.873 -10.085 1.00 0.00 N ATOM 21 CA SER A 2 44.299 16.953 -9.290 1.00 0.00 C ATOM 22 C SER A 2 44.964 18.338 -9.489 1.00 0.00 C ATOM 23 O SER A 2 45.616 18.581 -10.517 1.00 0.00 O ATOM 24 CB SER A 2 45.252 15.806 -9.712 1.00 0.00 C ATOM 25 OG SER A 2 44.594 14.548 -9.671 1.00 0.00 O ATOM 0 H SER A 2 43.206 16.537 -11.037 1.00 0.00 H new ATOM 0 HA SER A 2 44.069 16.841 -8.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.624 15.992 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 46.118 15.788 -9.050 1.00 0.00 H new ATOM 0 HG SER A 2 45.218 13.843 -9.944 1.00 0.00 H new ATOM 31 N ARG A 3 44.730 19.252 -8.529 1.00 0.00 N ATOM 32 CA ARG A 3 45.310 20.613 -8.524 1.00 0.00 C ATOM 33 C ARG A 3 46.149 20.805 -7.248 1.00 0.00 C ATOM 34 O ARG A 3 47.384 20.715 -7.304 1.00 0.00 O ATOM 35 CB ARG A 3 44.192 21.696 -8.650 1.00 0.00 C ATOM 36 CG ARG A 3 43.609 21.859 -10.072 1.00 0.00 C ATOM 37 CD ARG A 3 44.658 22.372 -11.082 1.00 0.00 C ATOM 38 NE ARG A 3 44.066 22.684 -12.392 1.00 0.00 N ATOM 39 CZ ARG A 3 44.713 23.267 -13.416 1.00 0.00 C ATOM 40 NH1 ARG A 3 46.005 23.573 -13.333 1.00 0.00 N ATOM 41 NH2 ARG A 3 44.066 23.535 -14.535 1.00 0.00 N ATOM 0 H ARG A 3 44.128 19.067 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 3 45.963 20.731 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 3 43.381 21.443 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 3 44.596 22.655 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 3 43.218 20.901 -10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 3 42.769 22.553 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 3 45.139 23.264 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 3 45.437 21.620 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 3 43.086 22.438 -12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 3 46.524 23.365 -12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 3 46.476 24.015 -14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 3 43.077 23.300 -14.621 1.00 0.00 H new ATOM 0 HH22 ARG A 3 44.555 23.977 -15.313 1.00 0.00 H new ATOM 55 N MET A 4 45.487 21.045 -6.097 1.00 0.00 N ATOM 56 CA MET A 4 46.178 21.105 -4.799 1.00 0.00 C ATOM 57 C MET A 4 46.233 19.684 -4.215 1.00 0.00 C ATOM 58 O MET A 4 45.315 19.250 -3.495 1.00 0.00 O ATOM 59 CB MET A 4 45.493 22.089 -3.801 1.00 0.00 C ATOM 60 CG MET A 4 46.245 22.239 -2.456 1.00 0.00 C ATOM 61 SD MET A 4 45.421 23.347 -1.291 1.00 0.00 S ATOM 62 CE MET A 4 46.572 23.342 0.090 1.00 0.00 C ATOM 0 H MET A 4 44.480 21.199 -6.043 1.00 0.00 H new ATOM 0 HA MET A 4 47.185 21.491 -4.958 1.00 0.00 H new ATOM 0 HB2 MET A 4 45.409 23.069 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 4 44.479 21.743 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 4 46.352 21.256 -1.997 1.00 0.00 H new ATOM 0 HG3 MET A 4 47.251 22.611 -2.650 1.00 0.00 H new ATOM 0 HE1 MET A 4 46.374 24.201 0.731 1.00 0.00 H new ATOM 0 HE2 MET A 4 46.447 22.424 0.664 1.00 0.00 H new ATOM 0 HE3 MET A 4 47.593 23.398 -0.287 1.00 0.00 H new ATOM 72 N ASP A 5 47.282 18.941 -4.601 1.00 0.00 N ATOM 73 CA ASP A 5 47.562 17.614 -4.041 1.00 0.00 C ATOM 74 C ASP A 5 48.273 17.797 -2.694 1.00 0.00 C ATOM 75 O ASP A 5 49.506 17.737 -2.592 1.00 0.00 O ATOM 76 CB ASP A 5 48.393 16.764 -5.038 1.00 0.00 C ATOM 77 CG ASP A 5 48.659 15.338 -4.532 1.00 0.00 C ATOM 78 OD1 ASP A 5 47.724 14.508 -4.566 1.00 0.00 O ATOM 79 OD2 ASP A 5 49.792 15.043 -4.070 1.00 0.00 O ATOM 0 H ASP A 5 47.955 19.243 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 5 46.634 17.068 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 5 47.867 16.713 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 5 49.345 17.261 -5.226 1.00 0.00 H new ATOM 84 N ASN A 6 47.475 18.128 -1.677 1.00 0.00 N ATOM 85 CA ASN A 6 47.964 18.346 -0.310 1.00 0.00 C ATOM 86 C ASN A 6 48.067 17.005 0.430 1.00 0.00 C ATOM 87 O ASN A 6 47.368 16.040 0.087 1.00 0.00 O ATOM 88 CB ASN A 6 47.030 19.334 0.454 1.00 0.00 C ATOM 89 CG ASN A 6 45.605 18.802 0.655 1.00 0.00 C ATOM 90 OD1 ASN A 6 44.737 18.978 -0.204 1.00 0.00 O ATOM 91 ND2 ASN A 6 45.345 18.164 1.793 1.00 0.00 N ATOM 0 H ASN A 6 46.468 18.253 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 6 48.957 18.792 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 6 47.467 19.554 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 6 46.984 20.275 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 6 44.407 17.805 1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 6 46.083 18.034 2.485 1.00 0.00 H new ATOM 98 N THR A 7 48.951 16.950 1.430 1.00 0.00 N ATOM 99 CA THR A 7 49.052 15.814 2.342 1.00 0.00 C ATOM 100 C THR A 7 47.831 15.809 3.287 1.00 0.00 C ATOM 101 O THR A 7 47.399 16.875 3.753 1.00 0.00 O ATOM 102 CB THR A 7 50.381 15.891 3.162 1.00 0.00 C ATOM 103 OG1 THR A 7 51.500 15.990 2.257 1.00 0.00 O ATOM 104 CG2 THR A 7 50.585 14.668 4.077 1.00 0.00 C ATOM 0 H THR A 7 49.618 17.696 1.628 1.00 0.00 H new ATOM 0 HA THR A 7 49.063 14.888 1.767 1.00 0.00 H new ATOM 0 HB THR A 7 50.315 16.774 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.333 16.040 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.523 14.774 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 7 49.759 14.601 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.618 13.762 3.472 1.00 0.00 H new ATOM 112 N GLU A 8 47.258 14.616 3.512 1.00 0.00 N ATOM 113 CA GLU A 8 46.127 14.413 4.425 1.00 0.00 C ATOM 114 C GLU A 8 46.511 14.844 5.854 1.00 0.00 C ATOM 115 O GLU A 8 47.673 14.706 6.256 1.00 0.00 O ATOM 116 CB GLU A 8 45.695 12.917 4.380 1.00 0.00 C ATOM 117 CG GLU A 8 44.467 12.559 5.247 1.00 0.00 C ATOM 118 CD GLU A 8 43.179 13.308 4.840 1.00 0.00 C ATOM 119 OE1 GLU A 8 42.427 12.793 3.982 1.00 0.00 O ATOM 120 OE2 GLU A 8 42.910 14.412 5.371 1.00 0.00 O ATOM 0 H GLU A 8 47.572 13.758 3.059 1.00 0.00 H new ATOM 0 HA GLU A 8 45.284 15.029 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 8 45.480 12.649 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 8 46.537 12.303 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 8 44.288 11.486 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 8 44.692 12.782 6.290 1.00 0.00 H new ATOM 127 N LEU A 9 45.530 15.399 6.578 1.00 0.00 N ATOM 128 CA LEU A 9 45.688 15.852 7.968 1.00 0.00 C ATOM 129 C LEU A 9 45.944 14.635 8.885 1.00 0.00 C ATOM 130 O LEU A 9 45.043 13.801 9.025 1.00 0.00 O ATOM 131 CB LEU A 9 44.414 16.622 8.453 1.00 0.00 C ATOM 132 CG LEU A 9 44.154 18.037 7.810 1.00 0.00 C ATOM 133 CD1 LEU A 9 43.839 17.962 6.301 1.00 0.00 C ATOM 134 CD2 LEU A 9 43.041 18.797 8.573 1.00 0.00 C ATOM 0 H LEU A 9 44.590 15.548 6.210 1.00 0.00 H new ATOM 0 HA LEU A 9 46.539 16.532 8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 9 43.543 15.995 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 9 44.483 16.747 9.534 1.00 0.00 H new ATOM 0 HG LEU A 9 45.085 18.597 7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 9 43.669 18.967 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 9 44.680 17.508 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 42.945 17.358 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.881 19.770 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 9 42.116 18.221 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 43.341 18.935 9.612 1.00 0.00 H new ATOM 146 N PRO A 10 47.176 14.495 9.496 1.00 0.00 N ATOM 147 CA PRO A 10 47.525 13.331 10.357 1.00 0.00 C ATOM 148 C PRO A 10 46.538 13.155 11.535 1.00 0.00 C ATOM 149 O PRO A 10 46.267 14.122 12.266 1.00 0.00 O ATOM 150 CB PRO A 10 48.963 13.654 10.863 1.00 0.00 C ATOM 151 CG PRO A 10 49.510 14.610 9.840 1.00 0.00 C ATOM 152 CD PRO A 10 48.323 15.444 9.391 1.00 0.00 C ATOM 0 HA PRO A 10 47.471 12.390 9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 10 48.944 14.102 11.856 1.00 0.00 H new ATOM 0 HB3 PRO A 10 49.572 12.753 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 10 50.292 15.238 10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 10 49.954 14.075 9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 10 48.182 16.318 10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 10 48.451 15.809 8.372 1.00 0.00 H new ATOM 160 N HIS A 11 45.985 11.936 11.672 1.00 0.00 N ATOM 161 CA HIS A 11 45.069 11.579 12.770 1.00 0.00 C ATOM 162 C HIS A 11 45.794 11.727 14.131 1.00 0.00 C ATOM 163 O HIS A 11 46.991 11.414 14.210 1.00 0.00 O ATOM 164 CB HIS A 11 44.568 10.123 12.599 1.00 0.00 C ATOM 165 CG HIS A 11 43.788 9.856 11.325 1.00 0.00 C ATOM 166 ND1 HIS A 11 44.206 8.967 10.350 1.00 0.00 N ATOM 167 CD2 HIS A 11 42.602 10.348 10.885 1.00 0.00 C ATOM 168 CE1 HIS A 11 43.304 8.916 9.389 1.00 0.00 C ATOM 169 NE2 HIS A 11 42.331 9.749 9.685 1.00 0.00 N ATOM 0 H HIS A 11 46.161 11.169 11.023 1.00 0.00 H new ATOM 0 HA HIS A 11 44.212 12.252 12.744 1.00 0.00 H new ATOM 0 HB2 HIS A 11 45.428 9.454 12.627 1.00 0.00 H new ATOM 0 HB3 HIS A 11 43.939 9.869 13.452 1.00 0.00 H new ATOM 0 HD2 HIS A 11 41.986 11.078 11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 11 43.356 8.294 8.507 1.00 0.00 H new ATOM 0 HE2 HIS A 11 41.505 9.921 9.111 1.00 0.00 H new ATOM 178 N PRO A 12 45.091 12.208 15.212 1.00 0.00 N ATOM 179 CA PRO A 12 45.679 12.302 16.574 1.00 0.00 C ATOM 180 C PRO A 12 46.138 10.909 17.067 1.00 0.00 C ATOM 181 O PRO A 12 45.299 10.015 17.269 1.00 0.00 O ATOM 182 CB PRO A 12 44.526 12.891 17.446 1.00 0.00 C ATOM 183 CG PRO A 12 43.274 12.618 16.656 1.00 0.00 C ATOM 184 CD PRO A 12 43.683 12.703 15.200 1.00 0.00 C ATOM 0 HA PRO A 12 46.571 12.927 16.616 1.00 0.00 H new ATOM 0 HB2 PRO A 12 44.488 12.415 18.426 1.00 0.00 H new ATOM 0 HB3 PRO A 12 44.663 13.959 17.615 1.00 0.00 H new ATOM 0 HG2 PRO A 12 42.868 11.634 16.892 1.00 0.00 H new ATOM 0 HG3 PRO A 12 42.498 13.347 16.888 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.045 12.087 14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.618 13.723 14.822 1.00 0.00 H new ATOM 192 N LYS A 13 47.479 10.735 17.194 1.00 0.00 N ATOM 193 CA LYS A 13 48.101 9.449 17.568 1.00 0.00 C ATOM 194 C LYS A 13 47.601 8.986 18.949 1.00 0.00 C ATOM 195 O LYS A 13 48.046 9.472 19.994 1.00 0.00 O ATOM 196 CB LYS A 13 49.656 9.545 17.547 1.00 0.00 C ATOM 197 CG LYS A 13 50.369 8.213 17.887 1.00 0.00 C ATOM 198 CD LYS A 13 51.908 8.334 17.931 1.00 0.00 C ATOM 199 CE LYS A 13 52.583 7.013 18.331 1.00 0.00 C ATOM 200 NZ LYS A 13 54.059 7.144 18.402 1.00 0.00 N ATOM 0 H LYS A 13 48.154 11.484 17.039 1.00 0.00 H new ATOM 0 HA LYS A 13 47.805 8.706 16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 13 49.977 9.876 16.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 49.973 10.308 18.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 50.013 7.855 18.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 50.092 7.462 17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 52.274 8.646 16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 13 52.189 9.113 18.640 1.00 0.00 H new ATOM 0 HE2 LYS A 13 52.201 6.689 19.299 1.00 0.00 H new ATOM 0 HE3 LYS A 13 52.322 6.239 17.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 54.476 6.231 18.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 54.427 7.429 17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 54.310 7.864 19.109 1.00 0.00 H new ATOM 214 N GLU A 14 46.625 8.083 18.914 1.00 0.00 N ATOM 215 CA GLU A 14 46.003 7.499 20.107 1.00 0.00 C ATOM 216 C GLU A 14 46.795 6.260 20.559 1.00 0.00 C ATOM 217 O GLU A 14 47.217 5.456 19.727 1.00 0.00 O ATOM 218 CB GLU A 14 44.522 7.150 19.800 1.00 0.00 C ATOM 219 CG GLU A 14 44.309 6.303 18.528 1.00 0.00 C ATOM 220 CD GLU A 14 42.824 6.032 18.231 1.00 0.00 C ATOM 221 OE1 GLU A 14 42.278 5.042 18.756 1.00 0.00 O ATOM 222 OE2 GLU A 14 42.197 6.811 17.474 1.00 0.00 O ATOM 0 H GLU A 14 46.234 7.728 18.041 1.00 0.00 H new ATOM 0 HA GLU A 14 46.020 8.219 20.925 1.00 0.00 H new ATOM 0 HB2 GLU A 14 44.106 6.612 20.652 1.00 0.00 H new ATOM 0 HB3 GLU A 14 43.957 8.077 19.701 1.00 0.00 H new ATOM 0 HG2 GLU A 14 44.757 6.816 17.677 1.00 0.00 H new ATOM 0 HG3 GLU A 14 44.832 5.353 18.639 1.00 0.00 H new ATOM 229 N ILE A 15 47.038 6.147 21.873 1.00 0.00 N ATOM 230 CA ILE A 15 47.755 5.003 22.478 1.00 0.00 C ATOM 231 C ILE A 15 46.760 4.153 23.286 1.00 0.00 C ATOM 232 O ILE A 15 46.396 4.526 24.412 1.00 0.00 O ATOM 233 CB ILE A 15 48.943 5.480 23.410 1.00 0.00 C ATOM 234 CG1 ILE A 15 49.947 6.405 22.631 1.00 0.00 C ATOM 235 CG2 ILE A 15 49.692 4.266 24.030 1.00 0.00 C ATOM 236 CD1 ILE A 15 51.069 6.986 23.484 1.00 0.00 C ATOM 0 H ILE A 15 46.743 6.847 22.553 1.00 0.00 H new ATOM 0 HA ILE A 15 48.190 4.408 21.675 1.00 0.00 H new ATOM 0 HB ILE A 15 48.506 6.063 24.220 1.00 0.00 H new ATOM 0 HG12 ILE A 15 50.388 5.833 21.815 1.00 0.00 H new ATOM 0 HG13 ILE A 15 49.389 7.226 22.180 1.00 0.00 H new ATOM 0 HG21 ILE A 15 50.502 4.624 24.665 1.00 0.00 H new ATOM 0 HG22 ILE A 15 48.997 3.676 24.627 1.00 0.00 H new ATOM 0 HG23 ILE A 15 50.103 3.646 23.233 1.00 0.00 H new ATOM 0 HD11 ILE A 15 51.712 7.610 22.863 1.00 0.00 H new ATOM 0 HD12 ILE A 15 50.642 7.589 24.285 1.00 0.00 H new ATOM 0 HD13 ILE A 15 51.657 6.175 23.914 1.00 0.00 H new ATOM 248 N ASP A 16 46.287 3.044 22.685 1.00 0.00 N ATOM 249 CA ASP A 16 45.347 2.116 23.339 1.00 0.00 C ATOM 250 C ASP A 16 45.433 0.737 22.658 1.00 0.00 C ATOM 251 O ASP A 16 45.026 0.590 21.501 1.00 0.00 O ATOM 252 CB ASP A 16 43.903 2.689 23.288 1.00 0.00 C ATOM 253 CG ASP A 16 42.888 1.835 24.064 1.00 0.00 C ATOM 254 OD1 ASP A 16 42.856 1.928 25.315 1.00 0.00 O ATOM 255 OD2 ASP A 16 42.146 1.039 23.442 1.00 0.00 O ATOM 0 H ASP A 16 46.545 2.768 21.737 1.00 0.00 H new ATOM 0 HA ASP A 16 45.616 1.998 24.389 1.00 0.00 H new ATOM 0 HB2 ASP A 16 43.905 3.700 23.695 1.00 0.00 H new ATOM 0 HB3 ASP A 16 43.585 2.765 22.248 1.00 0.00 H new ATOM 260 N ASN A 17 45.991 -0.256 23.374 1.00 0.00 N ATOM 261 CA ASN A 17 46.202 -1.623 22.848 1.00 0.00 C ATOM 262 C ASN A 17 44.901 -2.433 22.915 1.00 0.00 C ATOM 263 O ASN A 17 44.482 -2.857 23.996 1.00 0.00 O ATOM 264 CB ASN A 17 47.322 -2.354 23.634 1.00 0.00 C ATOM 265 CG ASN A 17 48.684 -1.682 23.481 1.00 0.00 C ATOM 266 OD1 ASN A 17 49.058 -0.811 24.267 1.00 0.00 O ATOM 267 ND2 ASN A 17 49.430 -2.060 22.459 1.00 0.00 N ATOM 0 H ASN A 17 46.310 -0.136 24.335 1.00 0.00 H new ATOM 0 HA ASN A 17 46.511 -1.536 21.806 1.00 0.00 H new ATOM 0 HB2 ASN A 17 47.055 -2.389 24.690 1.00 0.00 H new ATOM 0 HB3 ASN A 17 47.389 -3.385 23.288 1.00 0.00 H new ATOM 0 HD21 ASN A 17 50.341 -1.628 22.305 1.00 0.00 H new ATOM 0 HD22 ASN A 17 49.095 -2.784 21.823 1.00 0.00 H new ATOM 274 N GLU A 18 44.241 -2.590 21.761 1.00 0.00 N ATOM 275 CA GLU A 18 43.058 -3.457 21.605 1.00 0.00 C ATOM 276 C GLU A 18 43.465 -4.847 21.069 1.00 0.00 C ATOM 277 O GLU A 18 42.614 -5.738 20.944 1.00 0.00 O ATOM 278 CB GLU A 18 42.030 -2.771 20.671 1.00 0.00 C ATOM 279 CG GLU A 18 41.631 -1.346 21.118 1.00 0.00 C ATOM 280 CD GLU A 18 40.477 -0.742 20.305 1.00 0.00 C ATOM 281 OE1 GLU A 18 40.730 -0.135 19.244 1.00 0.00 O ATOM 282 OE2 GLU A 18 39.306 -0.876 20.724 1.00 0.00 O ATOM 0 H GLU A 18 44.512 -2.116 20.899 1.00 0.00 H new ATOM 0 HA GLU A 18 42.594 -3.608 22.580 1.00 0.00 H new ATOM 0 HB2 GLU A 18 42.444 -2.723 19.664 1.00 0.00 H new ATOM 0 HB3 GLU A 18 41.134 -3.389 20.617 1.00 0.00 H new ATOM 0 HG2 GLU A 18 41.348 -1.371 22.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 42.500 -0.693 21.038 1.00 0.00 H new ATOM 289 N THR A 19 44.773 -5.020 20.762 1.00 0.00 N ATOM 290 CA THR A 19 45.357 -6.309 20.354 1.00 0.00 C ATOM 291 C THR A 19 45.276 -7.342 21.502 1.00 0.00 C ATOM 292 O THR A 19 45.354 -6.976 22.683 1.00 0.00 O ATOM 293 CB THR A 19 46.846 -6.106 19.910 1.00 0.00 C ATOM 294 OG1 THR A 19 47.539 -5.316 20.893 1.00 0.00 O ATOM 295 CG2 THR A 19 46.958 -5.421 18.533 1.00 0.00 C ATOM 0 H THR A 19 45.453 -4.260 20.792 1.00 0.00 H new ATOM 0 HA THR A 19 44.783 -6.695 19.511 1.00 0.00 H new ATOM 0 HB THR A 19 47.299 -7.094 19.826 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.470 -5.191 20.615 1.00 0.00 H new ATOM 0 HG21 THR A 19 48.009 -5.303 18.270 1.00 0.00 H new ATOM 0 HG22 THR A 19 46.462 -6.034 17.780 1.00 0.00 H new ATOM 0 HG23 THR A 19 46.482 -4.441 18.574 1.00 0.00 H new ATOM 303 N LEU A 20 45.129 -8.629 21.137 1.00 0.00 N ATOM 304 CA LEU A 20 44.923 -9.730 22.104 1.00 0.00 C ATOM 305 C LEU A 20 46.225 -10.066 22.853 1.00 0.00 C ATOM 306 O LEU A 20 47.326 -9.888 22.326 1.00 0.00 O ATOM 307 CB LEU A 20 44.382 -10.993 21.383 1.00 0.00 C ATOM 308 CG LEU A 20 43.124 -10.785 20.475 1.00 0.00 C ATOM 309 CD1 LEU A 20 42.672 -12.115 19.835 1.00 0.00 C ATOM 310 CD2 LEU A 20 41.962 -10.103 21.249 1.00 0.00 C ATOM 0 H LEU A 20 45.149 -8.938 20.165 1.00 0.00 H new ATOM 0 HA LEU A 20 44.186 -9.396 22.835 1.00 0.00 H new ATOM 0 HB2 LEU A 20 45.183 -11.407 20.770 1.00 0.00 H new ATOM 0 HB3 LEU A 20 44.140 -11.741 22.138 1.00 0.00 H new ATOM 0 HG LEU A 20 43.412 -10.110 19.669 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.796 -11.939 19.210 1.00 0.00 H new ATOM 0 HD12 LEU A 20 43.479 -12.517 19.223 1.00 0.00 H new ATOM 0 HD13 LEU A 20 42.420 -12.829 20.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.107 -9.976 20.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 41.674 -10.726 22.096 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.289 -9.128 21.610 1.00 0.00 H new ATOM 322 N LEU A 21 46.069 -10.601 24.069 1.00 0.00 N ATOM 323 CA LEU A 21 47.192 -10.865 24.992 1.00 0.00 C ATOM 324 C LEU A 21 47.811 -12.256 24.717 1.00 0.00 C ATOM 325 O LEU A 21 47.067 -13.206 24.414 1.00 0.00 O ATOM 326 CB LEU A 21 46.699 -10.757 26.463 1.00 0.00 C ATOM 327 CG LEU A 21 46.049 -9.385 26.863 1.00 0.00 C ATOM 328 CD1 LEU A 21 45.574 -9.388 28.336 1.00 0.00 C ATOM 329 CD2 LEU A 21 47.008 -8.191 26.585 1.00 0.00 C ATOM 0 H LEU A 21 45.160 -10.866 24.447 1.00 0.00 H new ATOM 0 HA LEU A 21 47.969 -10.118 24.827 1.00 0.00 H new ATOM 0 HB2 LEU A 21 45.972 -11.549 26.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 47.544 -10.945 27.125 1.00 0.00 H new ATOM 0 HG LEU A 21 45.170 -9.253 26.233 1.00 0.00 H new ATOM 0 HD11 LEU A 21 45.130 -8.422 28.577 1.00 0.00 H new ATOM 0 HD12 LEU A 21 44.832 -10.174 28.478 1.00 0.00 H new ATOM 0 HD13 LEU A 21 46.425 -9.570 28.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 46.522 -7.259 26.875 1.00 0.00 H new ATOM 0 HD22 LEU A 21 47.924 -8.318 27.162 1.00 0.00 H new ATOM 0 HD23 LEU A 21 47.250 -8.159 25.523 1.00 0.00 H new ATOM 341 N PRO A 22 49.186 -12.400 24.808 1.00 0.00 N ATOM 342 CA PRO A 22 49.875 -13.697 24.574 1.00 0.00 C ATOM 343 C PRO A 22 49.604 -14.710 25.714 1.00 0.00 C ATOM 344 O PRO A 22 49.380 -14.312 26.863 1.00 0.00 O ATOM 345 CB PRO A 22 51.375 -13.299 24.494 1.00 0.00 C ATOM 346 CG PRO A 22 51.477 -12.071 25.353 1.00 0.00 C ATOM 347 CD PRO A 22 50.170 -11.321 25.139 1.00 0.00 C ATOM 0 HA PRO A 22 49.526 -14.204 23.674 1.00 0.00 H new ATOM 0 HB2 PRO A 22 52.019 -14.097 24.863 1.00 0.00 H new ATOM 0 HB3 PRO A 22 51.678 -13.093 23.467 1.00 0.00 H new ATOM 0 HG2 PRO A 22 51.612 -12.335 26.402 1.00 0.00 H new ATOM 0 HG3 PRO A 22 52.333 -11.460 25.066 1.00 0.00 H new ATOM 0 HD2 PRO A 22 49.874 -10.771 26.032 1.00 0.00 H new ATOM 0 HD3 PRO A 22 50.254 -10.595 24.330 1.00 0.00 H new ATOM 355 N ALA A 23 49.623 -16.011 25.375 1.00 0.00 N ATOM 356 CA ALA A 23 49.312 -17.092 26.334 1.00 0.00 C ATOM 357 C ALA A 23 50.447 -17.292 27.361 1.00 0.00 C ATOM 358 O ALA A 23 50.186 -17.464 28.557 1.00 0.00 O ATOM 359 CB ALA A 23 49.010 -18.393 25.576 1.00 0.00 C ATOM 0 H ALA A 23 49.852 -16.343 24.438 1.00 0.00 H new ATOM 0 HA ALA A 23 48.426 -16.802 26.898 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.782 -19.185 26.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.155 -18.240 24.917 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.879 -18.678 24.983 1.00 0.00 H new ATOM 365 N ALA A 24 51.704 -17.253 26.879 1.00 0.00 N ATOM 366 CA ALA A 24 52.901 -17.437 27.725 1.00 0.00 C ATOM 367 C ALA A 24 54.160 -16.909 27.011 1.00 0.00 C ATOM 368 O ALA A 24 54.153 -16.701 25.787 1.00 0.00 O ATOM 369 CB ALA A 24 53.083 -18.925 28.085 1.00 0.00 C ATOM 0 H ALA A 24 51.919 -17.094 25.895 1.00 0.00 H new ATOM 0 HA ALA A 24 52.758 -16.867 28.643 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.969 -19.043 28.708 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.207 -19.277 28.629 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.202 -19.508 27.172 1.00 0.00 H new ATOM 375 N GLU A 25 55.243 -16.711 27.793 1.00 0.00 N ATOM 376 CA GLU A 25 56.582 -16.368 27.261 1.00 0.00 C ATOM 377 C GLU A 25 57.626 -17.413 27.730 1.00 0.00 C ATOM 378 O GLU A 25 58.829 -17.141 27.765 1.00 0.00 O ATOM 379 CB GLU A 25 57.003 -14.914 27.660 1.00 0.00 C ATOM 380 CG GLU A 25 57.340 -14.672 29.152 1.00 0.00 C ATOM 381 CD GLU A 25 56.136 -14.776 30.108 1.00 0.00 C ATOM 382 OE1 GLU A 25 55.396 -13.784 30.255 1.00 0.00 O ATOM 383 OE2 GLU A 25 55.920 -15.854 30.710 1.00 0.00 O ATOM 0 H GLU A 25 55.215 -16.784 28.810 1.00 0.00 H new ATOM 0 HA GLU A 25 56.536 -16.395 26.172 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.873 -14.637 27.065 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.196 -14.237 27.379 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.096 -15.394 29.462 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.784 -13.682 29.254 1.00 0.00 H new ATOM 390 N ARG A 26 57.152 -18.633 28.043 1.00 0.00 N ATOM 391 CA ARG A 26 58.017 -19.736 28.495 1.00 0.00 C ATOM 392 C ARG A 26 58.694 -20.436 27.290 1.00 0.00 C ATOM 393 O ARG A 26 58.103 -21.315 26.661 1.00 0.00 O ATOM 394 CB ARG A 26 57.199 -20.740 29.364 1.00 0.00 C ATOM 395 CG ARG A 26 57.950 -22.046 29.707 1.00 0.00 C ATOM 396 CD ARG A 26 57.340 -22.835 30.871 1.00 0.00 C ATOM 397 NE ARG A 26 58.188 -23.988 31.216 1.00 0.00 N ATOM 398 CZ ARG A 26 57.765 -25.165 31.691 1.00 0.00 C ATOM 399 NH1 ARG A 26 56.484 -25.398 31.885 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.638 -26.116 31.969 1.00 0.00 N ATOM 0 H ARG A 26 56.164 -18.880 27.990 1.00 0.00 H new ATOM 0 HA ARG A 26 58.813 -19.327 29.117 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.910 -20.247 30.292 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.279 -20.992 28.837 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.971 -22.683 28.823 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.985 -21.804 29.950 1.00 0.00 H new ATOM 0 HD2 ARG A 26 57.229 -22.185 31.739 1.00 0.00 H new ATOM 0 HD3 ARG A 26 56.342 -23.179 30.601 1.00 0.00 H new ATOM 0 HE ARG A 26 59.193 -23.879 31.080 1.00 0.00 H new ATOM 0 HH11 ARG A 26 55.796 -24.675 31.672 1.00 0.00 H new ATOM 0 HH12 ARG A 26 56.179 -26.301 32.248 1.00 0.00 H new ATOM 0 HH21 ARG A 26 59.634 -25.953 31.822 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.316 -27.014 32.331 1.00 0.00 H new ATOM 414 N ARG A 27 59.924 -19.995 26.950 1.00 0.00 N ATOM 415 CA ARG A 27 60.755 -20.660 25.920 1.00 0.00 C ATOM 416 C ARG A 27 61.324 -21.972 26.494 1.00 0.00 C ATOM 417 O ARG A 27 62.231 -21.958 27.334 1.00 0.00 O ATOM 418 CB ARG A 27 61.928 -19.752 25.402 1.00 0.00 C ATOM 419 CG ARG A 27 61.539 -18.614 24.421 1.00 0.00 C ATOM 420 CD ARG A 27 60.673 -17.511 25.042 1.00 0.00 C ATOM 421 NE ARG A 27 61.310 -16.873 26.216 1.00 0.00 N ATOM 422 CZ ARG A 27 61.259 -15.570 26.527 1.00 0.00 C ATOM 423 NH1 ARG A 27 60.731 -14.688 25.678 1.00 0.00 N ATOM 424 NH2 ARG A 27 61.749 -15.145 27.680 1.00 0.00 N ATOM 0 H ARG A 27 60.366 -19.179 27.374 1.00 0.00 H new ATOM 0 HA ARG A 27 60.112 -20.863 25.064 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.421 -19.305 26.265 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.663 -20.390 24.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.450 -18.165 24.025 1.00 0.00 H new ATOM 0 HG3 ARG A 27 61.004 -19.047 23.576 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.466 -16.751 24.289 1.00 0.00 H new ATOM 0 HD3 ARG A 27 59.713 -17.934 25.340 1.00 0.00 H new ATOM 0 HE ARG A 27 61.835 -17.480 26.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.360 -15.002 24.781 1.00 0.00 H new ATOM 0 HH12 ARG A 27 60.698 -13.699 25.925 1.00 0.00 H new ATOM 0 HH21 ARG A 27 62.166 -15.809 28.333 1.00 0.00 H new ATOM 0 HH22 ARG A 27 61.710 -14.154 27.916 1.00 0.00 H new ATOM 438 N VAL A 28 60.710 -23.084 26.093 1.00 0.00 N ATOM 439 CA VAL A 28 61.214 -24.449 26.321 1.00 0.00 C ATOM 440 C VAL A 28 61.343 -25.141 24.965 1.00 0.00 C ATOM 441 O VAL A 28 60.660 -24.749 24.015 1.00 0.00 O ATOM 442 CB VAL A 28 60.248 -25.290 27.241 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.288 -24.802 28.698 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.804 -25.277 26.683 1.00 0.00 C ATOM 0 H VAL A 28 59.825 -23.066 25.587 1.00 0.00 H new ATOM 0 HA VAL A 28 62.176 -24.383 26.828 1.00 0.00 H new ATOM 0 HB VAL A 28 60.601 -26.321 27.236 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.610 -25.405 29.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.302 -24.897 29.086 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.980 -23.757 28.740 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.157 -25.864 27.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.440 -24.250 26.639 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.797 -25.708 25.682 1.00 0.00 H new ATOM 454 N ASN A 29 62.188 -26.182 24.877 1.00 0.00 N ATOM 455 CA ASN A 29 62.391 -26.923 23.612 1.00 0.00 C ATOM 456 C ASN A 29 61.174 -27.823 23.306 1.00 0.00 C ATOM 457 O ASN A 29 60.330 -28.047 24.178 1.00 0.00 O ATOM 458 CB ASN A 29 63.708 -27.727 23.618 1.00 0.00 C ATOM 459 CG ASN A 29 63.680 -29.022 24.427 1.00 0.00 C ATOM 460 OD1 ASN A 29 63.374 -30.091 23.892 1.00 0.00 O ATOM 461 ND2 ASN A 29 63.986 -28.938 25.712 1.00 0.00 N ATOM 0 H ASN A 29 62.741 -26.531 25.660 1.00 0.00 H new ATOM 0 HA ASN A 29 62.478 -26.190 22.810 1.00 0.00 H new ATOM 0 HB2 ASN A 29 63.972 -27.967 22.588 1.00 0.00 H new ATOM 0 HB3 ASN A 29 64.501 -27.090 24.010 1.00 0.00 H new ATOM 0 HD21 ASN A 29 63.974 -29.775 26.295 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.234 -28.036 26.119 1.00 0.00 H new ATOM 468 N SER A 30 61.131 -28.327 22.061 1.00 0.00 N ATOM 469 CA SER A 30 59.989 -29.074 21.482 1.00 0.00 C ATOM 470 C SER A 30 59.424 -30.214 22.373 1.00 0.00 C ATOM 471 O SER A 30 58.224 -30.494 22.300 1.00 0.00 O ATOM 472 CB SER A 30 60.425 -29.647 20.125 1.00 0.00 C ATOM 473 OG SER A 30 60.994 -28.644 19.313 1.00 0.00 O ATOM 0 H SER A 30 61.908 -28.226 21.408 1.00 0.00 H new ATOM 0 HA SER A 30 59.171 -28.360 21.386 1.00 0.00 H new ATOM 0 HB2 SER A 30 61.148 -30.448 20.280 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.566 -30.086 19.618 1.00 0.00 H new ATOM 0 HG SER A 30 61.964 -28.623 19.451 1.00 0.00 H new ATOM 479 N GLN A 31 60.276 -30.870 23.205 1.00 0.00 N ATOM 480 CA GLN A 31 59.837 -32.005 24.068 1.00 0.00 C ATOM 481 C GLN A 31 58.777 -31.548 25.096 1.00 0.00 C ATOM 482 O GLN A 31 57.882 -32.317 25.475 1.00 0.00 O ATOM 483 CB GLN A 31 61.047 -32.653 24.809 1.00 0.00 C ATOM 484 CG GLN A 31 61.657 -31.793 25.935 1.00 0.00 C ATOM 485 CD GLN A 31 62.826 -32.442 26.676 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.730 -31.748 27.132 1.00 0.00 O ATOM 487 NE2 GLN A 31 62.800 -33.758 26.838 1.00 0.00 N ATOM 0 H GLN A 31 61.264 -30.636 23.298 1.00 0.00 H new ATOM 0 HA GLN A 31 59.389 -32.752 23.413 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.727 -33.605 25.232 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.825 -32.874 24.079 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.995 -30.848 25.509 1.00 0.00 H new ATOM 0 HG3 GLN A 31 60.875 -31.556 26.656 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.034 -34.305 26.446 1.00 0.00 H new ATOM 0 HE22 GLN A 31 63.546 -34.223 27.355 1.00 0.00 H new ATOM 496 N ALA A 32 58.889 -30.290 25.527 1.00 0.00 N ATOM 497 CA ALA A 32 58.002 -29.672 26.515 1.00 0.00 C ATOM 498 C ALA A 32 57.010 -28.724 25.819 1.00 0.00 C ATOM 499 O ALA A 32 56.543 -27.768 26.440 1.00 0.00 O ATOM 500 CB ALA A 32 58.857 -28.939 27.565 1.00 0.00 C ATOM 0 H ALA A 32 59.616 -29.658 25.191 1.00 0.00 H new ATOM 0 HA ALA A 32 57.413 -30.436 27.022 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.205 -28.475 28.305 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.517 -29.652 28.059 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.454 -28.170 27.075 1.00 0.00 H new ATOM 506 N LEU A 33 56.653 -29.047 24.541 1.00 0.00 N ATOM 507 CA LEU A 33 55.711 -28.254 23.701 1.00 0.00 C ATOM 508 C LEU A 33 54.391 -27.890 24.417 1.00 0.00 C ATOM 509 O LEU A 33 53.766 -26.868 24.097 1.00 0.00 O ATOM 510 CB LEU A 33 55.373 -28.998 22.363 1.00 0.00 C ATOM 511 CG LEU A 33 54.494 -30.302 22.453 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.922 -30.695 21.075 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.265 -31.492 23.074 1.00 0.00 C ATOM 0 H LEU A 33 57.015 -29.872 24.064 1.00 0.00 H new ATOM 0 HA LEU A 33 56.239 -27.324 23.492 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.862 -28.293 21.707 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.313 -29.260 21.878 1.00 0.00 H new ATOM 0 HG LEU A 33 53.664 -30.065 23.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.321 -31.599 21.175 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.299 -29.885 20.695 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.741 -30.879 20.380 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.615 -32.366 23.113 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.139 -31.717 22.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.585 -31.232 24.083 1.00 0.00 H new ATOM 525 N LEU A 34 53.959 -28.743 25.358 1.00 0.00 N ATOM 526 CA LEU A 34 52.734 -28.529 26.147 1.00 0.00 C ATOM 527 C LEU A 34 53.036 -28.729 27.636 1.00 0.00 C ATOM 528 O LEU A 34 53.053 -27.765 28.411 1.00 0.00 O ATOM 529 CB LEU A 34 51.613 -29.495 25.662 1.00 0.00 C ATOM 530 CG LEU A 34 51.151 -29.324 24.178 1.00 0.00 C ATOM 531 CD1 LEU A 34 50.144 -30.414 23.758 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.585 -27.906 23.935 1.00 0.00 C ATOM 0 H LEU A 34 54.451 -29.605 25.595 1.00 0.00 H new ATOM 0 HA LEU A 34 52.382 -27.507 26.005 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.961 -30.519 25.797 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.745 -29.365 26.308 1.00 0.00 H new ATOM 0 HG LEU A 34 52.031 -29.447 23.546 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.850 -30.257 22.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.607 -31.396 23.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.263 -30.361 24.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.271 -27.813 22.895 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.729 -27.739 24.589 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.355 -27.165 24.149 1.00 0.00 H new ATOM 544 N GLY A 35 53.291 -29.994 28.004 1.00 0.00 N ATOM 545 CA GLY A 35 53.473 -30.392 29.396 1.00 0.00 C ATOM 546 C GLY A 35 52.177 -30.273 30.198 1.00 0.00 C ATOM 547 O GLY A 35 51.089 -30.395 29.618 1.00 0.00 O ATOM 0 H GLY A 35 53.376 -30.764 27.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.831 -31.421 29.435 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.242 -29.769 29.854 1.00 0.00 H new ATOM 551 N PRO A 36 52.251 -30.029 31.541 1.00 0.00 N ATOM 552 CA PRO A 36 51.048 -29.724 32.368 1.00 0.00 C ATOM 553 C PRO A 36 50.498 -28.298 32.109 1.00 0.00 C ATOM 554 O PRO A 36 49.372 -27.977 32.511 1.00 0.00 O ATOM 555 CB PRO A 36 51.573 -29.885 33.816 1.00 0.00 C ATOM 556 CG PRO A 36 53.031 -29.540 33.723 1.00 0.00 C ATOM 557 CD PRO A 36 53.497 -30.047 32.368 1.00 0.00 C ATOM 0 HA PRO A 36 50.205 -30.376 32.140 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.050 -29.221 34.505 1.00 0.00 H new ATOM 0 HB3 PRO A 36 51.427 -30.902 34.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.184 -28.464 33.810 1.00 0.00 H new ATOM 0 HG3 PRO A 36 53.595 -30.008 34.530 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.270 -29.406 31.944 1.00 0.00 H new ATOM 0 HD3 PRO A 36 53.918 -31.050 32.438 1.00 0.00 H new ATOM 565 N ASP A 37 51.310 -27.463 31.430 1.00 0.00 N ATOM 566 CA ASP A 37 50.965 -26.072 31.084 1.00 0.00 C ATOM 567 C ASP A 37 49.918 -26.044 29.972 1.00 0.00 C ATOM 568 O ASP A 37 48.804 -25.530 30.147 1.00 0.00 O ATOM 569 CB ASP A 37 52.248 -25.311 30.631 1.00 0.00 C ATOM 570 CG ASP A 37 53.342 -25.232 31.709 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.748 -26.292 32.244 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.811 -24.115 32.032 1.00 0.00 O ATOM 0 H ASP A 37 52.235 -27.741 31.103 1.00 0.00 H new ATOM 0 HA ASP A 37 50.548 -25.582 31.964 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.657 -25.803 29.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.972 -24.299 30.333 1.00 0.00 H new ATOM 577 N GLY A 38 50.300 -26.622 28.825 1.00 0.00 N ATOM 578 CA GLY A 38 49.477 -26.621 27.623 1.00 0.00 C ATOM 579 C GLY A 38 49.694 -25.391 26.748 1.00 0.00 C ATOM 580 O GLY A 38 49.310 -25.396 25.583 1.00 0.00 O ATOM 0 H GLY A 38 51.192 -27.103 28.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.695 -27.516 27.041 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.427 -26.675 27.909 1.00 0.00 H new ATOM 584 N LYS A 39 50.297 -24.327 27.318 1.00 0.00 N ATOM 585 CA LYS A 39 50.574 -23.067 26.606 1.00 0.00 C ATOM 586 C LYS A 39 52.001 -22.569 26.941 1.00 0.00 C ATOM 587 O LYS A 39 52.244 -22.006 28.016 1.00 0.00 O ATOM 588 CB LYS A 39 49.482 -21.995 26.939 1.00 0.00 C ATOM 589 CG LYS A 39 49.251 -21.713 28.444 1.00 0.00 C ATOM 590 CD LYS A 39 48.275 -20.543 28.695 1.00 0.00 C ATOM 591 CE LYS A 39 46.842 -20.833 28.217 1.00 0.00 C ATOM 592 NZ LYS A 39 46.209 -21.933 28.990 1.00 0.00 N ATOM 0 H LYS A 39 50.606 -24.320 28.290 1.00 0.00 H new ATOM 0 HA LYS A 39 50.531 -23.245 25.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.757 -21.060 26.452 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.538 -22.317 26.500 1.00 0.00 H new ATOM 0 HG2 LYS A 39 48.862 -22.612 28.921 1.00 0.00 H new ATOM 0 HG3 LYS A 39 50.207 -21.489 28.917 1.00 0.00 H new ATOM 0 HD2 LYS A 39 48.256 -20.317 29.761 1.00 0.00 H new ATOM 0 HD3 LYS A 39 48.647 -19.653 28.187 1.00 0.00 H new ATOM 0 HE2 LYS A 39 46.239 -19.930 28.311 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.859 -21.096 27.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 45.213 -22.028 28.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 46.710 -22.824 28.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 46.260 -21.717 30.006 1.00 0.00 H new ATOM 606 N VAL A 40 52.955 -22.840 26.026 1.00 0.00 N ATOM 607 CA VAL A 40 54.372 -22.412 26.151 1.00 0.00 C ATOM 608 C VAL A 40 54.945 -22.114 24.749 1.00 0.00 C ATOM 609 O VAL A 40 54.343 -22.483 23.736 1.00 0.00 O ATOM 610 CB VAL A 40 55.285 -23.492 26.859 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.852 -23.791 28.313 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.357 -24.793 26.035 1.00 0.00 C ATOM 0 H VAL A 40 52.767 -23.365 25.172 1.00 0.00 H new ATOM 0 HA VAL A 40 54.378 -21.519 26.776 1.00 0.00 H new ATOM 0 HB VAL A 40 56.283 -23.056 26.910 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.517 -24.539 28.744 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.904 -22.876 28.903 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.829 -24.168 28.318 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.992 -25.515 26.549 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.355 -25.208 25.921 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.775 -24.578 25.051 1.00 0.00 H new ATOM 622 N ILE A 41 56.103 -21.431 24.706 1.00 0.00 N ATOM 623 CA ILE A 41 56.825 -21.140 23.452 1.00 0.00 C ATOM 624 C ILE A 41 57.821 -22.279 23.150 1.00 0.00 C ATOM 625 O ILE A 41 58.736 -22.550 23.936 1.00 0.00 O ATOM 626 CB ILE A 41 57.584 -19.767 23.507 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.594 -18.593 23.809 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.367 -19.513 22.185 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.234 -17.219 23.845 1.00 0.00 C ATOM 0 H ILE A 41 56.565 -21.065 25.538 1.00 0.00 H new ATOM 0 HA ILE A 41 56.085 -21.070 22.655 1.00 0.00 H new ATOM 0 HB ILE A 41 58.307 -19.812 24.322 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.809 -18.594 23.053 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.112 -18.780 24.769 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.885 -18.556 22.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.095 -20.310 22.034 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.670 -19.495 21.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.473 -16.469 24.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.999 -17.194 24.621 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.691 -17.005 22.879 1.00 0.00 H new ATOM 641 N ILE A 42 57.604 -22.934 22.010 1.00 0.00 N ATOM 642 CA ILE A 42 58.416 -24.049 21.514 1.00 0.00 C ATOM 643 C ILE A 42 59.714 -23.515 20.882 1.00 0.00 C ATOM 644 O ILE A 42 59.687 -22.591 20.062 1.00 0.00 O ATOM 645 CB ILE A 42 57.606 -24.905 20.450 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.455 -25.739 21.109 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.520 -25.841 19.616 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.450 -24.962 21.934 1.00 0.00 C ATOM 0 H ILE A 42 56.834 -22.697 21.385 1.00 0.00 H new ATOM 0 HA ILE A 42 58.667 -24.694 22.356 1.00 0.00 H new ATOM 0 HB ILE A 42 57.160 -24.176 19.774 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.917 -26.263 20.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.906 -26.500 21.746 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.914 -26.402 18.905 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.255 -25.245 19.075 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.034 -26.535 20.281 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.704 -25.646 22.337 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.963 -24.460 22.754 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.959 -24.220 21.305 1.00 0.00 H new ATOM 660 N ASP A 43 60.829 -24.124 21.296 1.00 0.00 N ATOM 661 CA ASP A 43 62.159 -23.923 20.715 1.00 0.00 C ATOM 662 C ASP A 43 62.483 -25.150 19.849 1.00 0.00 C ATOM 663 O ASP A 43 62.468 -26.295 20.343 1.00 0.00 O ATOM 664 CB ASP A 43 63.221 -23.727 21.832 1.00 0.00 C ATOM 665 CG ASP A 43 64.673 -23.801 21.316 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.139 -22.840 20.673 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.356 -24.830 21.548 1.00 0.00 O ATOM 0 H ASP A 43 60.831 -24.791 22.068 1.00 0.00 H new ATOM 0 HA ASP A 43 62.174 -23.022 20.101 1.00 0.00 H new ATOM 0 HB2 ASP A 43 63.062 -22.760 22.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.076 -24.488 22.598 1.00 0.00 H new ATOM 672 N HIS A 44 62.755 -24.904 18.562 1.00 0.00 N ATOM 673 CA HIS A 44 62.991 -25.964 17.569 1.00 0.00 C ATOM 674 C HIS A 44 63.807 -25.397 16.406 1.00 0.00 C ATOM 675 O HIS A 44 63.290 -24.569 15.660 1.00 0.00 O ATOM 676 CB HIS A 44 61.628 -26.514 17.086 1.00 0.00 C ATOM 677 CG HIS A 44 61.699 -27.688 16.157 1.00 0.00 C ATOM 678 ND1 HIS A 44 61.887 -28.978 16.601 1.00 0.00 N ATOM 679 CD2 HIS A 44 61.578 -27.774 14.810 1.00 0.00 C ATOM 680 CE1 HIS A 44 61.889 -29.795 15.575 1.00 0.00 C ATOM 681 NE2 HIS A 44 61.699 -29.094 14.481 1.00 0.00 N ATOM 0 H HIS A 44 62.818 -23.962 18.177 1.00 0.00 H new ATOM 0 HA HIS A 44 63.557 -26.783 18.012 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.041 -26.799 17.959 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.088 -25.710 16.587 1.00 0.00 H new ATOM 0 HD1 HIS A 44 62.006 -29.255 17.575 1.00 0.00 H new ATOM 0 HD2 HIS A 44 61.416 -26.954 14.126 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.024 -30.865 15.622 1.00 0.00 H new ATOM 690 N ASN A 45 65.088 -25.835 16.281 1.00 0.00 N ATOM 691 CA ASN A 45 66.047 -25.337 15.252 1.00 0.00 C ATOM 692 C ASN A 45 66.316 -23.823 15.418 1.00 0.00 C ATOM 693 O ASN A 45 66.651 -23.130 14.453 1.00 0.00 O ATOM 694 CB ASN A 45 65.544 -25.671 13.804 1.00 0.00 C ATOM 695 CG ASN A 45 65.659 -27.151 13.442 1.00 0.00 C ATOM 696 OD1 ASN A 45 66.616 -27.576 12.799 1.00 0.00 O ATOM 697 ND2 ASN A 45 64.724 -27.954 13.902 1.00 0.00 N ATOM 0 H ASN A 45 65.488 -26.546 16.893 1.00 0.00 H new ATOM 0 HA ASN A 45 66.994 -25.855 15.403 1.00 0.00 H new ATOM 0 HB2 ASN A 45 64.503 -25.363 13.710 1.00 0.00 H new ATOM 0 HB3 ASN A 45 66.116 -25.084 13.085 1.00 0.00 H new ATOM 0 HD21 ASN A 45 64.782 -28.957 13.728 1.00 0.00 H new ATOM 0 HD22 ASN A 45 63.941 -27.573 14.433 1.00 0.00 H new ATOM 704 N GLY A 46 66.192 -23.338 16.668 1.00 0.00 N ATOM 705 CA GLY A 46 66.382 -21.919 17.000 1.00 0.00 C ATOM 706 C GLY A 46 65.108 -21.091 16.877 1.00 0.00 C ATOM 707 O GLY A 46 65.087 -19.933 17.306 1.00 0.00 O ATOM 0 H GLY A 46 65.958 -23.920 17.472 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.761 -21.840 18.019 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.144 -21.499 16.343 1.00 0.00 H new ATOM 711 N GLN A 47 64.045 -21.696 16.306 1.00 0.00 N ATOM 712 CA GLN A 47 62.761 -21.018 16.059 1.00 0.00 C ATOM 713 C GLN A 47 61.924 -20.995 17.346 1.00 0.00 C ATOM 714 O GLN A 47 61.886 -21.990 18.081 1.00 0.00 O ATOM 715 CB GLN A 47 61.977 -21.755 14.950 1.00 0.00 C ATOM 716 CG GLN A 47 62.738 -21.906 13.619 1.00 0.00 C ATOM 717 CD GLN A 47 62.005 -22.793 12.615 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.217 -24.005 12.568 1.00 0.00 O ATOM 719 NE2 GLN A 47 61.116 -22.201 11.831 1.00 0.00 N ATOM 0 H GLN A 47 64.056 -22.670 16.004 1.00 0.00 H new ATOM 0 HA GLN A 47 62.961 -19.995 15.739 1.00 0.00 H new ATOM 0 HB2 GLN A 47 61.706 -22.746 15.313 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.047 -21.218 14.763 1.00 0.00 H new ATOM 0 HG2 GLN A 47 62.893 -20.920 13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 47 63.724 -22.326 13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 47 60.967 -21.194 11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 47 60.580 -22.752 11.160 1.00 0.00 H new ATOM 728 N GLU A 48 61.277 -19.852 17.608 1.00 0.00 N ATOM 729 CA GLU A 48 60.382 -19.663 18.756 1.00 0.00 C ATOM 730 C GLU A 48 58.938 -19.520 18.238 1.00 0.00 C ATOM 731 O GLU A 48 58.664 -18.690 17.355 1.00 0.00 O ATOM 732 CB GLU A 48 60.814 -18.431 19.630 1.00 0.00 C ATOM 733 CG GLU A 48 60.758 -17.027 18.964 1.00 0.00 C ATOM 734 CD GLU A 48 61.810 -16.807 17.859 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.977 -16.488 18.191 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.479 -16.933 16.659 1.00 0.00 O ATOM 0 H GLU A 48 61.362 -19.022 17.021 1.00 0.00 H new ATOM 0 HA GLU A 48 60.443 -20.533 19.410 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.181 -18.409 20.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.835 -18.602 19.971 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.765 -16.879 18.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.892 -16.267 19.734 1.00 0.00 H new ATOM 743 N TYR A 49 58.024 -20.372 18.746 1.00 0.00 N ATOM 744 CA TYR A 49 56.592 -20.325 18.377 1.00 0.00 C ATOM 745 C TYR A 49 55.686 -20.869 19.501 1.00 0.00 C ATOM 746 O TYR A 49 55.847 -22.003 19.944 1.00 0.00 O ATOM 747 CB TYR A 49 56.326 -21.043 17.017 1.00 0.00 C ATOM 748 CG TYR A 49 57.018 -22.397 16.773 1.00 0.00 C ATOM 749 CD1 TYR A 49 58.330 -22.478 16.286 1.00 0.00 C ATOM 750 CD2 TYR A 49 56.324 -23.590 16.939 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.912 -23.698 15.997 1.00 0.00 C ATOM 752 CE2 TYR A 49 56.904 -24.803 16.662 1.00 0.00 C ATOM 753 CZ TYR A 49 58.188 -24.854 16.182 1.00 0.00 C ATOM 754 OH TYR A 49 58.753 -26.073 15.882 1.00 0.00 O ATOM 0 H TYR A 49 58.253 -21.105 19.417 1.00 0.00 H new ATOM 0 HA TYR A 49 56.331 -19.275 18.244 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.251 -21.195 16.923 1.00 0.00 H new ATOM 0 HB3 TYR A 49 56.624 -20.366 16.217 1.00 0.00 H new ATOM 0 HD1 TYR A 49 58.896 -21.571 16.134 1.00 0.00 H new ATOM 0 HD2 TYR A 49 55.304 -23.562 17.294 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.926 -23.744 15.629 1.00 0.00 H new ATOM 0 HE2 TYR A 49 56.350 -25.716 16.822 1.00 0.00 H new ATOM 0 HH TYR A 49 58.109 -26.787 16.071 1.00 0.00 H new ATOM 764 N LEU A 50 54.714 -20.038 19.916 1.00 0.00 N ATOM 765 CA LEU A 50 53.823 -20.297 21.064 1.00 0.00 C ATOM 766 C LEU A 50 52.727 -21.304 20.648 1.00 0.00 C ATOM 767 O LEU A 50 51.905 -21.012 19.777 1.00 0.00 O ATOM 768 CB LEU A 50 53.236 -18.909 21.522 1.00 0.00 C ATOM 769 CG LEU A 50 52.255 -18.813 22.767 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.830 -19.337 22.474 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.845 -19.486 24.025 1.00 0.00 C ATOM 0 H LEU A 50 54.521 -19.149 19.454 1.00 0.00 H new ATOM 0 HA LEU A 50 54.354 -20.747 21.903 1.00 0.00 H new ATOM 0 HB2 LEU A 50 54.083 -18.256 21.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.710 -18.485 20.666 1.00 0.00 H new ATOM 0 HG LEU A 50 52.155 -17.747 22.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.216 -19.240 23.369 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.387 -18.755 21.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.881 -20.385 22.180 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.139 -19.396 24.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 53.031 -20.540 23.820 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.782 -18.998 24.293 1.00 0.00 H new ATOM 783 N LEU A 51 52.726 -22.493 21.263 1.00 0.00 N ATOM 784 CA LEU A 51 51.640 -23.482 21.094 1.00 0.00 C ATOM 785 C LEU A 51 50.783 -23.462 22.355 1.00 0.00 C ATOM 786 O LEU A 51 51.317 -23.509 23.477 1.00 0.00 O ATOM 787 CB LEU A 51 52.197 -24.904 20.832 1.00 0.00 C ATOM 788 CG LEU A 51 51.154 -26.065 20.694 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.085 -25.748 19.628 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.858 -27.417 20.392 1.00 0.00 C ATOM 0 H LEU A 51 53.470 -22.801 21.889 1.00 0.00 H new ATOM 0 HA LEU A 51 51.040 -23.216 20.223 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.790 -24.872 19.918 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.878 -25.156 21.645 1.00 0.00 H new ATOM 0 HG LEU A 51 50.642 -26.157 21.652 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.380 -26.577 19.562 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.551 -24.839 19.907 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.567 -25.604 18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.110 -28.205 20.301 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.415 -27.337 19.459 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.544 -27.660 21.204 1.00 0.00 H new ATOM 802 N ARG A 52 49.463 -23.375 22.157 1.00 0.00 N ATOM 803 CA ARG A 52 48.485 -23.246 23.241 1.00 0.00 C ATOM 804 C ARG A 52 47.297 -24.202 23.019 1.00 0.00 C ATOM 805 O ARG A 52 46.780 -24.319 21.899 1.00 0.00 O ATOM 806 CB ARG A 52 48.025 -21.765 23.335 1.00 0.00 C ATOM 807 CG ARG A 52 47.421 -21.193 22.032 1.00 0.00 C ATOM 808 CD ARG A 52 47.075 -19.700 22.128 1.00 0.00 C ATOM 809 NE ARG A 52 46.051 -19.447 23.147 1.00 0.00 N ATOM 810 CZ ARG A 52 45.428 -18.285 23.364 1.00 0.00 C ATOM 811 NH1 ARG A 52 45.754 -17.186 22.694 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.464 -18.229 24.259 1.00 0.00 N ATOM 0 H ARG A 52 49.040 -23.392 21.229 1.00 0.00 H new ATOM 0 HA ARG A 52 48.945 -23.528 24.188 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.285 -21.678 24.131 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.878 -21.151 23.624 1.00 0.00 H new ATOM 0 HG2 ARG A 52 48.127 -21.344 21.216 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.520 -21.752 21.781 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.974 -19.132 22.366 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.721 -19.345 21.160 1.00 0.00 H new ATOM 0 HE ARG A 52 45.790 -20.231 23.746 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.496 -17.216 21.995 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.263 -16.311 22.879 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.200 -19.067 24.778 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.981 -17.348 24.434 1.00 0.00 H new ATOM 826 N LYS A 53 46.893 -24.910 24.089 1.00 0.00 N ATOM 827 CA LYS A 53 45.717 -25.794 24.078 1.00 0.00 C ATOM 828 C LYS A 53 44.462 -24.947 24.313 1.00 0.00 C ATOM 829 O LYS A 53 44.214 -24.504 25.442 1.00 0.00 O ATOM 830 CB LYS A 53 45.847 -26.904 25.163 1.00 0.00 C ATOM 831 CG LYS A 53 46.939 -27.951 24.871 1.00 0.00 C ATOM 832 CD LYS A 53 47.103 -29.037 25.968 1.00 0.00 C ATOM 833 CE LYS A 53 45.911 -30.016 26.080 1.00 0.00 C ATOM 834 NZ LYS A 53 44.695 -29.406 26.690 1.00 0.00 N ATOM 0 H LYS A 53 47.375 -24.884 24.987 1.00 0.00 H new ATOM 0 HA LYS A 53 45.645 -26.291 23.111 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.058 -26.434 26.123 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.888 -27.414 25.261 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.710 -28.441 23.925 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.891 -27.437 24.742 1.00 0.00 H new ATOM 0 HD2 LYS A 53 48.009 -29.608 25.764 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.246 -28.546 26.930 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.662 -30.387 25.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 46.213 -30.877 26.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.303 -30.053 27.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.948 -28.504 27.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.984 -29.235 25.950 1.00 0.00 H new ATOM 848 N THR A 54 43.708 -24.702 23.228 1.00 0.00 N ATOM 849 CA THR A 54 42.449 -23.948 23.270 1.00 0.00 C ATOM 850 C THR A 54 41.415 -24.728 24.099 1.00 0.00 C ATOM 851 O THR A 54 41.379 -25.978 24.023 1.00 0.00 O ATOM 852 CB THR A 54 41.866 -23.692 21.835 1.00 0.00 C ATOM 853 OG1 THR A 54 41.411 -24.918 21.264 1.00 0.00 O ATOM 854 CG2 THR A 54 42.901 -23.068 20.903 1.00 0.00 C ATOM 0 H THR A 54 43.959 -25.024 22.293 1.00 0.00 H new ATOM 0 HA THR A 54 42.659 -22.980 23.725 1.00 0.00 H new ATOM 0 HB THR A 54 41.035 -22.995 21.945 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.579 -24.760 20.771 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.456 -22.908 19.921 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.231 -22.113 21.312 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.756 -23.737 20.809 1.00 0.00 H new ATOM 862 N GLN A 55 40.573 -23.983 24.855 1.00 0.00 N ATOM 863 CA GLN A 55 39.522 -24.547 25.746 1.00 0.00 C ATOM 864 C GLN A 55 38.377 -25.209 24.949 1.00 0.00 C ATOM 865 O GLN A 55 37.540 -25.923 25.523 1.00 0.00 O ATOM 866 CB GLN A 55 38.971 -23.443 26.687 1.00 0.00 C ATOM 867 CG GLN A 55 40.029 -22.789 27.594 1.00 0.00 C ATOM 868 CD GLN A 55 39.437 -21.775 28.584 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.057 -22.129 29.703 1.00 0.00 O ATOM 870 NE2 GLN A 55 39.330 -20.520 28.176 1.00 0.00 N ATOM 0 H GLN A 55 40.602 -22.963 24.866 1.00 0.00 H new ATOM 0 HA GLN A 55 39.984 -25.330 26.347 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.502 -22.668 26.081 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.190 -23.874 27.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.552 -23.567 28.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 40.771 -22.289 26.972 1.00 0.00 H new ATOM 0 HE21 GLN A 55 39.653 -20.257 27.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.924 -19.816 28.793 1.00 0.00 H new ATOM 879 N ALA A 56 38.366 -24.971 23.623 1.00 0.00 N ATOM 880 CA ALA A 56 37.500 -25.688 22.663 1.00 0.00 C ATOM 881 C ALA A 56 38.004 -27.132 22.415 1.00 0.00 C ATOM 882 O ALA A 56 37.385 -27.887 21.650 1.00 0.00 O ATOM 883 CB ALA A 56 37.427 -24.902 21.339 1.00 0.00 C ATOM 0 H ALA A 56 38.962 -24.270 23.183 1.00 0.00 H new ATOM 0 HA ALA A 56 36.500 -25.761 23.091 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.788 -25.434 20.635 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.014 -23.911 21.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.428 -24.804 20.918 1.00 0.00 H new ATOM 889 N GLY A 57 39.128 -27.495 23.076 1.00 0.00 N ATOM 890 CA GLY A 57 39.709 -28.830 23.006 1.00 0.00 C ATOM 891 C GLY A 57 40.559 -29.019 21.770 1.00 0.00 C ATOM 892 O GLY A 57 40.471 -30.051 21.103 1.00 0.00 O ATOM 0 H GLY A 57 39.651 -26.855 23.674 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.317 -29.007 23.893 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.911 -29.572 23.013 1.00 0.00 H new ATOM 896 N LYS A 58 41.404 -28.016 21.458 1.00 0.00 N ATOM 897 CA LYS A 58 42.247 -28.028 20.220 1.00 0.00 C ATOM 898 C LYS A 58 43.660 -27.493 20.517 1.00 0.00 C ATOM 899 O LYS A 58 43.939 -27.034 21.625 1.00 0.00 O ATOM 900 CB LYS A 58 41.601 -27.164 19.095 1.00 0.00 C ATOM 901 CG LYS A 58 40.165 -27.555 18.667 1.00 0.00 C ATOM 902 CD LYS A 58 39.598 -26.621 17.573 1.00 0.00 C ATOM 903 CE LYS A 58 39.515 -25.142 18.016 1.00 0.00 C ATOM 904 NZ LYS A 58 38.986 -24.272 16.932 1.00 0.00 N ATOM 0 H LYS A 58 41.529 -27.185 22.036 1.00 0.00 H new ATOM 0 HA LYS A 58 42.315 -29.062 19.882 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.588 -26.126 19.426 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.244 -27.210 18.216 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.166 -28.581 18.299 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.510 -27.529 19.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.224 -26.692 16.684 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.603 -26.965 17.291 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.874 -25.060 18.894 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.505 -24.794 18.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 38.945 -23.288 17.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.612 -24.331 16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.031 -24.588 16.668 1.00 0.00 H new ATOM 918 N LEU A 59 44.532 -27.560 19.494 1.00 0.00 N ATOM 919 CA LEU A 59 45.882 -26.950 19.505 1.00 0.00 C ATOM 920 C LEU A 59 45.920 -25.741 18.553 1.00 0.00 C ATOM 921 O LEU A 59 45.411 -25.812 17.429 1.00 0.00 O ATOM 922 CB LEU A 59 46.956 -28.004 19.104 1.00 0.00 C ATOM 923 CG LEU A 59 47.247 -29.095 20.177 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.176 -30.195 19.633 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.833 -28.460 21.459 1.00 0.00 C ATOM 0 H LEU A 59 44.319 -28.045 18.623 1.00 0.00 H new ATOM 0 HA LEU A 59 46.107 -26.604 20.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.634 -28.496 18.186 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.886 -27.483 18.877 1.00 0.00 H new ATOM 0 HG LEU A 59 46.298 -29.568 20.431 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.355 -30.937 20.411 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.707 -30.675 18.774 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.124 -29.752 19.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 48.029 -29.240 22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.764 -27.947 21.218 1.00 0.00 H new ATOM 0 HD23 LEU A 59 47.120 -27.745 21.869 1.00 0.00 H new ATOM 937 N LEU A 60 46.522 -24.633 19.020 1.00 0.00 N ATOM 938 CA LEU A 60 46.649 -23.390 18.244 1.00 0.00 C ATOM 939 C LEU A 60 48.139 -23.003 18.189 1.00 0.00 C ATOM 940 O LEU A 60 48.718 -22.614 19.216 1.00 0.00 O ATOM 941 CB LEU A 60 45.814 -22.260 18.909 1.00 0.00 C ATOM 942 CG LEU A 60 45.464 -21.038 18.004 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.482 -21.448 16.884 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.904 -19.867 18.840 1.00 0.00 C ATOM 0 H LEU A 60 46.935 -24.576 19.951 1.00 0.00 H new ATOM 0 HA LEU A 60 46.271 -23.536 17.232 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.883 -22.692 19.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.361 -21.897 19.779 1.00 0.00 H new ATOM 0 HG LEU A 60 46.384 -20.693 17.533 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.252 -20.580 16.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.937 -22.223 16.267 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.563 -21.831 17.328 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.669 -19.030 18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.999 -20.188 19.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.648 -19.555 19.573 1.00 0.00 H new ATOM 956 N LEU A 61 48.772 -23.194 17.017 1.00 0.00 N ATOM 957 CA LEU A 61 50.189 -22.866 16.809 1.00 0.00 C ATOM 958 C LEU A 61 50.272 -21.398 16.339 1.00 0.00 C ATOM 959 O LEU A 61 49.982 -21.090 15.175 1.00 0.00 O ATOM 960 CB LEU A 61 50.818 -23.851 15.766 1.00 0.00 C ATOM 961 CG LEU A 61 52.386 -24.014 15.771 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.136 -22.742 15.292 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.873 -24.460 17.171 1.00 0.00 C ATOM 0 H LEU A 61 48.314 -23.579 16.191 1.00 0.00 H new ATOM 0 HA LEU A 61 50.757 -22.976 17.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.377 -24.835 15.925 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.517 -23.524 14.771 1.00 0.00 H new ATOM 0 HG LEU A 61 52.627 -24.791 15.045 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.211 -22.921 15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.834 -22.504 14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.891 -21.906 15.948 1.00 0.00 H new ATOM 0 HD21 LEU A 61 53.957 -24.569 17.161 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.590 -23.711 17.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.415 -25.415 17.429 1.00 0.00 H new ATOM 975 N THR A 62 50.613 -20.504 17.270 1.00 0.00 N ATOM 976 CA THR A 62 50.839 -19.079 16.991 1.00 0.00 C ATOM 977 C THR A 62 52.340 -18.752 17.106 1.00 0.00 C ATOM 978 O THR A 62 53.100 -19.503 17.728 1.00 0.00 O ATOM 979 CB THR A 62 50.013 -18.180 17.978 1.00 0.00 C ATOM 980 OG1 THR A 62 50.387 -18.446 19.349 1.00 0.00 O ATOM 981 CG2 THR A 62 48.495 -18.394 17.815 1.00 0.00 C ATOM 0 H THR A 62 50.742 -20.750 18.252 1.00 0.00 H new ATOM 0 HA THR A 62 50.504 -18.869 15.975 1.00 0.00 H new ATOM 0 HB THR A 62 50.244 -17.144 17.731 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.992 -19.216 19.379 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.960 -17.753 18.516 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.200 -18.143 16.796 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.251 -19.437 18.017 1.00 0.00 H new ATOM 989 N LYS A 63 52.761 -17.638 16.491 1.00 0.00 N ATOM 990 CA LYS A 63 54.141 -17.146 16.606 1.00 0.00 C ATOM 991 C LYS A 63 54.224 -16.182 17.815 1.00 0.00 C ATOM 992 O LYS A 63 54.020 -14.959 17.644 1.00 0.00 O ATOM 993 CB LYS A 63 54.574 -16.477 15.266 1.00 0.00 C ATOM 994 CG LYS A 63 54.617 -17.436 14.052 1.00 0.00 C ATOM 995 CD LYS A 63 55.691 -18.545 14.213 1.00 0.00 C ATOM 996 CE LYS A 63 55.756 -19.486 12.997 1.00 0.00 C ATOM 997 NZ LYS A 63 56.831 -20.510 13.132 1.00 0.00 N ATOM 998 OXT LYS A 63 54.412 -16.670 18.952 1.00 0.00 O ATOM 0 H LYS A 63 52.161 -17.057 15.905 1.00 0.00 H new ATOM 0 HA LYS A 63 54.836 -17.966 16.786 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.886 -15.661 15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.561 -16.035 15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.638 -17.898 13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.822 -16.864 13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.666 -18.082 14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.475 -19.128 15.108 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.795 -19.985 12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 63 55.927 -18.899 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.837 -21.120 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 57.752 -20.036 13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.655 -21.089 13.978 1.00 0.00 H new TER 1012 LYS A 63