USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 646 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 7 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.7) USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1AGLY N :NH3+ -118:sc= 0.0375 (180deg=0) USER MOD Single : A 1BSER OG : rot 38:sc= 0.103 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 6 TYR OH : rot 32:sc= -1.34 USER MOD Single : A 8 TYR OH : rot -140:sc= 1.15 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.0494 (180deg=-0.402) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-8.8!) USER MOD Single : A 33 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 76:sc= 0.539 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-0.93) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.153) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0239 F(o=-1.1,f=-0.024) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.44 F(o=-3.9!,f=-1.4) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 72 THR OG1 : rot -19:sc= 0.0413 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -110:sc= -1.45 USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= -0.0147 (180deg=-0.0336) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.115) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 12.436 -18.593 -9.617 1.00 0.00 N ATOM 2 CA GLY A 1A 13.362 -17.547 -10.139 1.00 0.00 C ATOM 3 C GLY A 1A 13.441 -17.546 -11.674 1.00 0.00 C ATOM 4 O GLY A 1A 12.834 -18.362 -12.342 1.00 0.00 O ATOM 0 H1 GLY A 1A 11.657 -18.139 -9.098 1.00 0.00 H new ATOM 0 H2 GLY A 1A 12.050 -19.142 -10.411 1.00 0.00 H new ATOM 0 H3 GLY A 1A 12.955 -19.228 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 13.030 -16.568 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 14.358 -17.709 -9.727 1.00 0.00 H new ATOM 10 N SER A 1B 14.209 -16.606 -12.168 1.00 0.00 N ATOM 11 CA SER A 1B 14.345 -16.380 -13.643 1.00 0.00 C ATOM 12 C SER A 1B 15.461 -15.358 -13.903 1.00 0.00 C ATOM 13 O SER A 1B 15.473 -14.292 -13.315 1.00 0.00 O ATOM 14 CB SER A 1B 13.012 -15.840 -14.228 1.00 0.00 C ATOM 15 OG SER A 1B 12.545 -14.857 -13.311 1.00 0.00 O ATOM 0 H SER A 1B 14.762 -15.969 -11.595 1.00 0.00 H new ATOM 0 HA SER A 1B 14.589 -17.327 -14.124 1.00 0.00 H new ATOM 0 HB2 SER A 1B 13.168 -15.408 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 1B 12.284 -16.643 -14.342 1.00 0.00 H new ATOM 0 HG SER A 1B 13.306 -14.350 -12.959 1.00 0.00 H new ATOM 21 N MET A 1C 16.364 -15.722 -14.781 1.00 0.00 N ATOM 22 CA MET A 1C 17.444 -14.785 -15.239 1.00 0.00 C ATOM 23 C MET A 1C 16.845 -13.487 -15.817 1.00 0.00 C ATOM 24 O MET A 1C 17.377 -12.415 -15.602 1.00 0.00 O ATOM 25 CB MET A 1C 18.295 -15.504 -16.318 1.00 0.00 C ATOM 26 CG MET A 1C 19.584 -16.072 -15.690 1.00 0.00 C ATOM 27 SD MET A 1C 20.825 -14.878 -15.126 1.00 0.00 S ATOM 28 CE MET A 1C 22.218 -16.004 -14.837 1.00 0.00 C ATOM 0 H MET A 1C 16.400 -16.647 -15.209 1.00 0.00 H new ATOM 0 HA MET A 1C 18.066 -14.511 -14.387 1.00 0.00 H new ATOM 0 HB2 MET A 1C 17.717 -16.310 -16.770 1.00 0.00 H new ATOM 0 HB3 MET A 1C 18.548 -14.806 -17.116 1.00 0.00 H new ATOM 0 HG2 MET A 1C 19.301 -16.692 -14.840 1.00 0.00 H new ATOM 0 HG3 MET A 1C 20.055 -16.729 -16.421 1.00 0.00 H new ATOM 0 HE1 MET A 1C 23.078 -15.436 -14.482 1.00 0.00 H new ATOM 0 HE2 MET A 1C 21.938 -16.744 -14.087 1.00 0.00 H new ATOM 0 HE3 MET A 1C 22.476 -16.510 -15.767 1.00 0.00 H new ATOM 38 N SER A 2 15.754 -13.634 -16.528 1.00 0.00 N ATOM 39 CA SER A 2 15.039 -12.460 -17.125 1.00 0.00 C ATOM 40 C SER A 2 14.083 -11.826 -16.098 1.00 0.00 C ATOM 41 O SER A 2 14.111 -12.166 -14.931 1.00 0.00 O ATOM 42 CB SER A 2 14.259 -12.954 -18.369 1.00 0.00 C ATOM 43 OG SER A 2 14.212 -11.841 -19.252 1.00 0.00 O ATOM 0 H SER A 2 15.320 -14.536 -16.724 1.00 0.00 H new ATOM 0 HA SER A 2 15.757 -11.694 -17.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.759 -13.804 -18.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.256 -13.283 -18.098 1.00 0.00 H new ATOM 0 HG SER A 2 13.729 -12.090 -20.067 1.00 0.00 H new ATOM 49 N ALA A 3 13.268 -10.919 -16.574 1.00 0.00 N ATOM 50 CA ALA A 3 12.228 -10.275 -15.712 1.00 0.00 C ATOM 51 C ALA A 3 10.916 -10.122 -16.498 1.00 0.00 C ATOM 52 O ALA A 3 10.918 -9.983 -17.707 1.00 0.00 O ATOM 53 CB ALA A 3 12.737 -8.894 -15.263 1.00 0.00 C ATOM 0 H ALA A 3 13.279 -10.592 -17.540 1.00 0.00 H new ATOM 0 HA ALA A 3 12.039 -10.898 -14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.986 -8.416 -14.634 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.661 -9.013 -14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.925 -8.273 -16.139 1.00 0.00 H new ATOM 59 N GLU A 4 9.832 -10.156 -15.764 1.00 0.00 N ATOM 60 CA GLU A 4 8.488 -9.870 -16.355 1.00 0.00 C ATOM 61 C GLU A 4 7.633 -9.096 -15.334 1.00 0.00 C ATOM 62 O GLU A 4 6.957 -9.685 -14.517 1.00 0.00 O ATOM 63 CB GLU A 4 7.829 -11.227 -16.732 1.00 0.00 C ATOM 64 CG GLU A 4 7.923 -11.393 -18.259 1.00 0.00 C ATOM 65 CD GLU A 4 7.587 -12.843 -18.656 1.00 0.00 C ATOM 66 OE1 GLU A 4 6.429 -13.200 -18.499 1.00 0.00 O ATOM 67 OE2 GLU A 4 8.508 -13.513 -19.096 1.00 0.00 O ATOM 0 H GLU A 4 9.821 -10.373 -14.767 1.00 0.00 H new ATOM 0 HA GLU A 4 8.576 -9.254 -17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.335 -12.050 -16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.788 -11.248 -16.410 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.235 -10.705 -18.750 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.927 -11.138 -18.599 1.00 0.00 H new ATOM 74 N GLY A 5 7.713 -7.793 -15.434 1.00 0.00 N ATOM 75 CA GLY A 5 6.980 -6.858 -14.523 1.00 0.00 C ATOM 76 C GLY A 5 6.027 -5.954 -15.305 1.00 0.00 C ATOM 77 O GLY A 5 6.116 -5.845 -16.512 1.00 0.00 O ATOM 0 H GLY A 5 8.279 -7.320 -16.138 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.418 -7.431 -13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.696 -6.247 -13.973 1.00 0.00 H new ATOM 81 N TYR A 6 5.135 -5.324 -14.579 1.00 0.00 N ATOM 82 CA TYR A 6 3.803 -4.922 -15.171 1.00 0.00 C ATOM 83 C TYR A 6 3.584 -3.468 -14.763 1.00 0.00 C ATOM 84 O TYR A 6 4.080 -3.031 -13.742 1.00 0.00 O ATOM 85 CB TYR A 6 2.617 -5.774 -14.601 1.00 0.00 C ATOM 86 CG TYR A 6 3.234 -6.990 -13.943 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.584 -8.079 -14.704 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.480 -6.985 -12.591 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.180 -9.158 -14.117 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.077 -8.064 -11.997 1.00 0.00 C ATOM 91 CZ TYR A 6 4.437 -9.162 -12.760 1.00 0.00 C ATOM 92 OH TYR A 6 5.039 -10.258 -12.182 1.00 0.00 O ATOM 0 H TYR A 6 5.265 -5.067 -13.600 1.00 0.00 H new ATOM 0 HA TYR A 6 3.823 -5.073 -16.250 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.036 -5.197 -13.881 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.934 -6.069 -15.398 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.388 -8.082 -15.766 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.202 -6.128 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.452 -10.014 -14.717 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.267 -8.059 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 6 5.649 -10.674 -12.827 1.00 0.00 H new ATOM 102 N GLN A 7 2.848 -2.756 -15.573 1.00 0.00 N ATOM 103 CA GLN A 7 2.532 -1.336 -15.248 1.00 0.00 C ATOM 104 C GLN A 7 1.038 -1.056 -15.341 1.00 0.00 C ATOM 105 O GLN A 7 0.256 -1.850 -15.826 1.00 0.00 O ATOM 106 CB GLN A 7 3.312 -0.424 -16.232 1.00 0.00 C ATOM 107 CG GLN A 7 4.645 -0.011 -15.581 1.00 0.00 C ATOM 108 CD GLN A 7 5.518 0.784 -16.567 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.046 1.490 -17.435 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.813 0.691 -16.457 1.00 0.00 N ATOM 0 H GLN A 7 2.451 -3.098 -16.448 1.00 0.00 H new ATOM 0 HA GLN A 7 2.832 -1.132 -14.220 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.497 -0.951 -17.168 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.722 0.460 -16.475 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.449 0.593 -14.695 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.182 -0.899 -15.249 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.222 0.101 -15.732 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.418 1.208 -17.096 1.00 0.00 H new ATOM 119 N TYR A 8 0.719 0.104 -14.832 1.00 0.00 N ATOM 120 CA TYR A 8 -0.685 0.575 -14.737 1.00 0.00 C ATOM 121 C TYR A 8 -0.632 2.078 -15.004 1.00 0.00 C ATOM 122 O TYR A 8 0.067 2.806 -14.323 1.00 0.00 O ATOM 123 CB TYR A 8 -1.238 0.308 -13.316 1.00 0.00 C ATOM 124 CG TYR A 8 -1.347 -1.199 -13.023 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.225 -1.933 -12.685 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.569 -1.842 -13.084 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.320 -3.280 -12.416 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.661 -3.189 -12.814 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.539 -3.919 -12.477 1.00 0.00 C ATOM 130 OH TYR A 8 -1.631 -5.269 -12.205 1.00 0.00 O ATOM 0 H TYR A 8 1.404 0.765 -14.466 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.335 0.060 -15.445 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.587 0.776 -12.578 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.220 0.771 -13.214 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.737 -1.444 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.457 -1.285 -13.345 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.567 -3.839 -12.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.622 -3.680 -12.866 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.253 -5.688 -12.835 1.00 0.00 H new ATOM 140 N ARG A 9 -1.374 2.494 -15.993 1.00 0.00 N ATOM 141 CA ARG A 9 -1.482 3.947 -16.326 1.00 0.00 C ATOM 142 C ARG A 9 -2.649 4.525 -15.508 1.00 0.00 C ATOM 143 O ARG A 9 -3.765 4.056 -15.621 1.00 0.00 O ATOM 144 CB ARG A 9 -1.728 4.055 -17.843 1.00 0.00 C ATOM 145 CG ARG A 9 -1.640 5.522 -18.324 1.00 0.00 C ATOM 146 CD ARG A 9 -0.928 5.567 -19.690 1.00 0.00 C ATOM 147 NE ARG A 9 -1.071 6.945 -20.253 1.00 0.00 N ATOM 148 CZ ARG A 9 -1.004 7.138 -21.543 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.022 6.809 -22.288 1.00 0.00 N ATOM 150 NH2 ARG A 9 0.082 7.650 -22.048 1.00 0.00 N ATOM 0 H ARG A 9 -1.920 1.879 -16.596 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.580 4.508 -16.081 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.994 3.451 -18.376 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.711 3.649 -18.084 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.639 5.950 -18.407 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.095 6.123 -17.597 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.126 5.311 -19.577 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.363 4.833 -20.369 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.221 7.737 -19.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.857 6.407 -21.862 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.984 6.954 -23.297 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.863 7.893 -21.438 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.152 7.808 -23.053 1.00 0.00 H new ATOM 164 N ALA A 10 -2.357 5.524 -14.706 1.00 0.00 N ATOM 165 CA ALA A 10 -3.446 6.289 -14.011 1.00 0.00 C ATOM 166 C ALA A 10 -4.492 6.785 -15.021 1.00 0.00 C ATOM 167 O ALA A 10 -4.154 7.106 -16.145 1.00 0.00 O ATOM 168 CB ALA A 10 -2.841 7.501 -13.273 1.00 0.00 C ATOM 0 H ALA A 10 -1.410 5.843 -14.502 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.931 5.623 -13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.634 8.054 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.117 7.154 -12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.344 8.153 -13.991 1.00 0.00 H new ATOM 174 N LEU A 11 -5.725 6.828 -14.585 1.00 0.00 N ATOM 175 CA LEU A 11 -6.844 7.295 -15.465 1.00 0.00 C ATOM 176 C LEU A 11 -7.450 8.595 -14.917 1.00 0.00 C ATOM 177 O LEU A 11 -7.962 9.396 -15.671 1.00 0.00 O ATOM 178 CB LEU A 11 -7.917 6.183 -15.529 1.00 0.00 C ATOM 179 CG LEU A 11 -8.522 6.110 -16.964 1.00 0.00 C ATOM 180 CD1 LEU A 11 -7.557 5.327 -17.916 1.00 0.00 C ATOM 181 CD2 LEU A 11 -9.922 5.430 -16.911 1.00 0.00 C ATOM 0 H LEU A 11 -6.010 6.556 -13.644 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.465 7.499 -16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.475 5.223 -15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.705 6.384 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.642 7.120 -17.357 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.989 5.282 -18.916 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.595 5.838 -17.959 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.414 4.315 -17.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.341 5.381 -17.916 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.822 4.421 -16.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.585 6.011 -16.270 1.00 0.00 H new ATOM 193 N TYR A 12 -7.372 8.758 -13.618 1.00 0.00 N ATOM 194 CA TYR A 12 -8.033 9.918 -12.941 1.00 0.00 C ATOM 195 C TYR A 12 -7.093 10.558 -11.916 1.00 0.00 C ATOM 196 O TYR A 12 -6.177 9.926 -11.419 1.00 0.00 O ATOM 197 CB TYR A 12 -9.321 9.423 -12.237 1.00 0.00 C ATOM 198 CG TYR A 12 -10.491 10.362 -12.569 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.022 10.386 -13.845 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.032 11.193 -11.605 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.071 11.225 -14.152 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.083 12.032 -11.913 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.610 12.054 -13.188 1.00 0.00 C ATOM 204 OH TYR A 12 -13.662 12.892 -13.495 1.00 0.00 O ATOM 0 H TYR A 12 -6.872 8.128 -12.990 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.282 10.671 -13.689 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.555 8.408 -12.559 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.166 9.388 -11.159 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.611 9.742 -14.608 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.629 11.185 -10.603 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.475 11.234 -15.154 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.496 12.676 -11.151 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.916 13.403 -12.698 1.00 0.00 H new ATOM 214 N ASP A 13 -7.372 11.804 -11.639 1.00 0.00 N ATOM 215 CA ASP A 13 -6.558 12.603 -10.696 1.00 0.00 C ATOM 216 C ASP A 13 -7.142 12.441 -9.287 1.00 0.00 C ATOM 217 O ASP A 13 -8.157 13.033 -8.977 1.00 0.00 O ATOM 218 CB ASP A 13 -6.612 14.067 -11.185 1.00 0.00 C ATOM 219 CG ASP A 13 -5.393 14.369 -12.061 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.269 13.683 -13.066 1.00 0.00 O ATOM 221 OD2 ASP A 13 -4.643 15.258 -11.705 1.00 0.00 O ATOM 0 H ASP A 13 -8.158 12.311 -12.045 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.518 12.277 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.528 14.237 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.634 14.744 -10.331 1.00 0.00 H new ATOM 226 N TYR A 14 -6.483 11.644 -8.483 1.00 0.00 N ATOM 227 CA TYR A 14 -6.940 11.405 -7.071 1.00 0.00 C ATOM 228 C TYR A 14 -5.930 12.068 -6.139 1.00 0.00 C ATOM 229 O TYR A 14 -4.740 11.913 -6.308 1.00 0.00 O ATOM 230 CB TYR A 14 -7.009 9.870 -6.812 1.00 0.00 C ATOM 231 CG TYR A 14 -6.939 9.505 -5.306 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.075 9.505 -4.514 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.732 9.161 -4.721 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.002 9.166 -3.175 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.659 8.821 -3.383 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.794 8.822 -2.598 1.00 0.00 C ATOM 237 OH TYR A 14 -6.722 8.482 -1.260 1.00 0.00 O ATOM 0 H TYR A 14 -5.636 11.140 -8.745 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.930 11.826 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.935 9.478 -7.232 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.188 9.381 -7.337 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.028 9.772 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.833 9.158 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.899 9.170 -2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.707 8.553 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.568 8.074 -0.980 1.00 0.00 H new ATOM 247 N LYS A 15 -6.445 12.793 -5.181 1.00 0.00 N ATOM 248 CA LYS A 15 -5.586 13.523 -4.228 1.00 0.00 C ATOM 249 C LYS A 15 -5.287 12.599 -3.045 1.00 0.00 C ATOM 250 O LYS A 15 -6.020 11.661 -2.798 1.00 0.00 O ATOM 251 CB LYS A 15 -6.364 14.758 -3.812 1.00 0.00 C ATOM 252 CG LYS A 15 -6.395 15.810 -4.952 1.00 0.00 C ATOM 253 CD LYS A 15 -4.966 16.325 -5.287 1.00 0.00 C ATOM 254 CE LYS A 15 -5.030 17.803 -5.712 1.00 0.00 C ATOM 255 NZ LYS A 15 -5.377 18.658 -4.542 1.00 0.00 N ATOM 0 H LYS A 15 -7.446 12.906 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.630 13.826 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.383 14.477 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.910 15.195 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.843 15.370 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.026 16.649 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.317 16.215 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.532 15.726 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.070 18.112 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.773 17.931 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.004 19.617 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.411 18.701 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.958 18.253 -3.680 1.00 0.00 H new ATOM 269 N LYS A 16 -4.228 12.896 -2.339 1.00 0.00 N ATOM 270 CA LYS A 16 -3.851 12.036 -1.177 1.00 0.00 C ATOM 271 C LYS A 16 -4.541 12.538 0.099 1.00 0.00 C ATOM 272 O LYS A 16 -4.645 13.729 0.325 1.00 0.00 O ATOM 273 CB LYS A 16 -2.304 12.069 -0.999 1.00 0.00 C ATOM 274 CG LYS A 16 -1.777 13.519 -0.794 1.00 0.00 C ATOM 275 CD LYS A 16 -1.495 13.795 0.700 1.00 0.00 C ATOM 276 CE LYS A 16 -1.395 15.319 0.921 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.692 15.607 2.206 1.00 0.00 N ATOM 0 H LYS A 16 -3.612 13.690 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.174 11.012 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.023 11.456 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.828 11.630 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.865 13.665 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.510 14.233 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.291 13.377 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.568 13.309 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.857 15.780 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.393 15.758 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.630 16.636 2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.221 15.182 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.266 15.204 2.176 1.00 0.00 H new ATOM 291 N GLU A 17 -4.994 11.590 0.883 1.00 0.00 N ATOM 292 CA GLU A 17 -5.761 11.897 2.135 1.00 0.00 C ATOM 293 C GLU A 17 -5.156 11.142 3.325 1.00 0.00 C ATOM 294 O GLU A 17 -5.460 11.437 4.465 1.00 0.00 O ATOM 295 CB GLU A 17 -7.243 11.476 1.922 1.00 0.00 C ATOM 296 CG GLU A 17 -8.192 12.665 2.267 1.00 0.00 C ATOM 297 CD GLU A 17 -9.691 12.314 2.085 1.00 0.00 C ATOM 298 OE1 GLU A 17 -9.998 11.342 1.411 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.469 13.066 2.649 1.00 0.00 O ATOM 0 H GLU A 17 -4.862 10.594 0.705 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.709 12.964 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.396 11.166 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.479 10.617 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.019 12.974 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.944 13.517 1.633 1.00 0.00 H new ATOM 306 N ARG A 18 -4.312 10.194 3.011 1.00 0.00 N ATOM 307 CA ARG A 18 -3.568 9.430 4.056 1.00 0.00 C ATOM 308 C ARG A 18 -2.125 9.205 3.589 1.00 0.00 C ATOM 309 O ARG A 18 -1.873 8.942 2.428 1.00 0.00 O ATOM 310 CB ARG A 18 -4.279 8.078 4.282 1.00 0.00 C ATOM 311 CG ARG A 18 -3.978 7.547 5.706 1.00 0.00 C ATOM 312 CD ARG A 18 -5.134 7.868 6.686 1.00 0.00 C ATOM 313 NE ARG A 18 -5.513 9.309 6.570 1.00 0.00 N ATOM 314 CZ ARG A 18 -5.699 10.022 7.648 1.00 0.00 C ATOM 315 NH1 ARG A 18 -6.844 9.936 8.270 1.00 0.00 N ATOM 316 NH2 ARG A 18 -4.738 10.798 8.066 1.00 0.00 N ATOM 0 H ARG A 18 -4.103 9.912 2.053 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.549 9.987 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.354 8.198 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.945 7.355 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.820 6.469 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.053 7.992 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.995 7.237 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.829 7.644 7.708 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.626 9.735 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.574 9.320 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.009 10.485 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.858 10.841 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.867 11.362 8.906 1.00 0.00 H new ATOM 330 N GLU A 19 -1.227 9.318 4.535 1.00 0.00 N ATOM 331 CA GLU A 19 0.208 8.934 4.324 1.00 0.00 C ATOM 332 C GLU A 19 0.400 7.523 3.757 1.00 0.00 C ATOM 333 O GLU A 19 1.424 7.216 3.177 1.00 0.00 O ATOM 334 CB GLU A 19 0.965 9.038 5.672 1.00 0.00 C ATOM 335 CG GLU A 19 0.076 8.500 6.843 1.00 0.00 C ATOM 336 CD GLU A 19 0.908 8.063 8.072 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.962 8.640 8.292 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.425 7.160 8.736 1.00 0.00 O ATOM 0 H GLU A 19 -1.432 9.669 5.470 1.00 0.00 H new ATOM 0 HA GLU A 19 0.605 9.626 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.892 8.468 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.239 10.076 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.629 9.275 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.512 7.654 6.488 1.00 0.00 H new ATOM 345 N GLU A 20 -0.604 6.715 3.952 1.00 0.00 N ATOM 346 CA GLU A 20 -0.689 5.382 3.271 1.00 0.00 C ATOM 347 C GLU A 20 -0.688 5.549 1.740 1.00 0.00 C ATOM 348 O GLU A 20 0.165 5.012 1.059 1.00 0.00 O ATOM 349 CB GLU A 20 -1.984 4.676 3.729 1.00 0.00 C ATOM 350 CG GLU A 20 -1.752 3.971 5.087 1.00 0.00 C ATOM 351 CD GLU A 20 -1.085 2.606 4.832 1.00 0.00 C ATOM 352 OE1 GLU A 20 -1.829 1.684 4.540 1.00 0.00 O ATOM 353 OE2 GLU A 20 0.129 2.561 4.941 1.00 0.00 O ATOM 0 H GLU A 20 -1.390 6.923 4.568 1.00 0.00 H new ATOM 0 HA GLU A 20 0.179 4.781 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.791 5.403 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.295 3.947 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.120 4.586 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.700 3.836 5.609 1.00 0.00 H new ATOM 360 N ASP A 21 -1.647 6.297 1.248 1.00 0.00 N ATOM 361 CA ASP A 21 -1.787 6.497 -0.231 1.00 0.00 C ATOM 362 C ASP A 21 -0.845 7.616 -0.703 1.00 0.00 C ATOM 363 O ASP A 21 -0.209 8.267 0.102 1.00 0.00 O ATOM 364 CB ASP A 21 -3.264 6.858 -0.551 1.00 0.00 C ATOM 365 CG ASP A 21 -3.733 8.069 0.282 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.274 9.155 -0.025 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.525 7.847 1.181 1.00 0.00 O ATOM 0 H ASP A 21 -2.345 6.782 1.812 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.516 5.581 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.365 7.082 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.904 6.000 -0.344 1.00 0.00 H new ATOM 372 N ILE A 22 -0.795 7.794 -1.999 1.00 0.00 N ATOM 373 CA ILE A 22 -0.006 8.917 -2.597 1.00 0.00 C ATOM 374 C ILE A 22 -0.842 9.727 -3.599 1.00 0.00 C ATOM 375 O ILE A 22 -1.986 9.412 -3.871 1.00 0.00 O ATOM 376 CB ILE A 22 1.254 8.327 -3.314 1.00 0.00 C ATOM 377 CG1 ILE A 22 0.895 7.009 -4.072 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.375 8.046 -2.274 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.961 6.708 -5.143 1.00 0.00 C ATOM 0 H ILE A 22 -1.273 7.202 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 22 0.294 9.593 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 22 1.609 9.059 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.832 6.180 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.085 7.104 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.248 7.636 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.649 8.975 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.015 7.330 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.702 5.787 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.003 7.531 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.934 6.592 -4.665 1.00 0.00 H new ATOM 391 N ASP A 23 -0.212 10.758 -4.103 1.00 0.00 N ATOM 392 CA ASP A 23 -0.847 11.660 -5.111 1.00 0.00 C ATOM 393 C ASP A 23 -0.956 10.928 -6.456 1.00 0.00 C ATOM 394 O ASP A 23 -0.028 10.261 -6.874 1.00 0.00 O ATOM 395 CB ASP A 23 0.021 12.919 -5.272 1.00 0.00 C ATOM 396 CG ASP A 23 0.156 13.617 -3.910 1.00 0.00 C ATOM 397 OD1 ASP A 23 1.051 13.209 -3.183 1.00 0.00 O ATOM 398 OD2 ASP A 23 -0.642 14.512 -3.675 1.00 0.00 O ATOM 0 H ASP A 23 0.741 11.018 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.845 11.944 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.005 12.650 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.430 13.596 -5.998 1.00 0.00 H new ATOM 403 N LEU A 24 -2.093 11.077 -7.088 1.00 0.00 N ATOM 404 CA LEU A 24 -2.347 10.432 -8.419 1.00 0.00 C ATOM 405 C LEU A 24 -2.802 11.469 -9.461 1.00 0.00 C ATOM 406 O LEU A 24 -3.661 12.283 -9.188 1.00 0.00 O ATOM 407 CB LEU A 24 -3.423 9.345 -8.213 1.00 0.00 C ATOM 408 CG LEU A 24 -2.759 8.078 -7.583 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.814 7.223 -6.813 1.00 0.00 C ATOM 410 CD2 LEU A 24 -2.059 7.237 -8.697 1.00 0.00 C ATOM 0 H LEU A 24 -2.873 11.629 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.429 9.987 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.214 9.718 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.888 9.091 -9.166 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.005 8.397 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.329 6.347 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.255 7.821 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.596 6.903 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.598 6.355 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.797 6.926 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.292 7.842 -9.182 1.00 0.00 H new ATOM 422 N HIS A 25 -2.195 11.394 -10.623 1.00 0.00 N ATOM 423 CA HIS A 25 -2.461 12.379 -11.723 1.00 0.00 C ATOM 424 C HIS A 25 -2.384 11.691 -13.101 1.00 0.00 C ATOM 425 O HIS A 25 -1.974 10.549 -13.197 1.00 0.00 O ATOM 426 CB HIS A 25 -1.414 13.551 -11.653 1.00 0.00 C ATOM 427 CG HIS A 25 -0.173 13.195 -10.812 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.155 13.061 -9.526 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.138 12.964 -11.197 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.047 12.766 -9.137 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.879 12.698 -10.147 1.00 0.00 N ATOM 0 H HIS A 25 -1.511 10.675 -10.860 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.466 12.781 -11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.100 13.812 -12.664 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.892 14.434 -11.230 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.962 13.170 -8.912 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.498 12.998 -12.215 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.327 12.597 -8.108 1.00 0.00 H new ATOM 439 N LEU A 26 -2.785 12.406 -14.128 1.00 0.00 N ATOM 440 CA LEU A 26 -2.731 11.857 -15.526 1.00 0.00 C ATOM 441 C LEU A 26 -1.268 11.657 -15.969 1.00 0.00 C ATOM 442 O LEU A 26 -0.376 12.351 -15.517 1.00 0.00 O ATOM 443 CB LEU A 26 -3.425 12.835 -16.500 1.00 0.00 C ATOM 444 CG LEU A 26 -4.951 12.955 -16.173 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.402 14.454 -16.178 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.805 12.117 -17.167 1.00 0.00 C ATOM 0 H LEU A 26 -3.151 13.355 -14.058 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.244 10.896 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.956 13.817 -16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.294 12.489 -17.525 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.113 12.553 -15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.466 14.515 -15.948 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.837 15.007 -15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.218 14.886 -17.162 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.861 12.219 -16.916 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.637 12.476 -18.183 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.516 11.068 -17.100 1.00 0.00 H new ATOM 458 N GLY A 27 -1.073 10.694 -16.842 1.00 0.00 N ATOM 459 CA GLY A 27 0.298 10.390 -17.371 1.00 0.00 C ATOM 460 C GLY A 27 1.217 9.741 -16.323 1.00 0.00 C ATOM 461 O GLY A 27 2.294 9.276 -16.646 1.00 0.00 O ATOM 0 H GLY A 27 -1.814 10.100 -17.214 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.210 9.725 -18.231 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.757 11.313 -17.727 1.00 0.00 H new ATOM 465 N ASP A 28 0.757 9.733 -15.097 1.00 0.00 N ATOM 466 CA ASP A 28 1.519 9.113 -13.976 1.00 0.00 C ATOM 467 C ASP A 28 1.423 7.584 -14.078 1.00 0.00 C ATOM 468 O ASP A 28 0.384 7.008 -13.825 1.00 0.00 O ATOM 469 CB ASP A 28 0.910 9.621 -12.653 1.00 0.00 C ATOM 470 CG ASP A 28 1.851 9.290 -11.481 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.826 10.010 -11.344 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.538 8.334 -10.790 1.00 0.00 O ATOM 0 H ASP A 28 -0.137 10.141 -14.823 1.00 0.00 H new ATOM 0 HA ASP A 28 2.573 9.386 -14.019 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.748 10.697 -12.707 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.064 9.159 -12.490 1.00 0.00 H new ATOM 477 N ILE A 29 2.519 6.976 -14.452 1.00 0.00 N ATOM 478 CA ILE A 29 2.573 5.484 -14.520 1.00 0.00 C ATOM 479 C ILE A 29 3.029 4.944 -13.167 1.00 0.00 C ATOM 480 O ILE A 29 3.730 5.602 -12.424 1.00 0.00 O ATOM 481 CB ILE A 29 3.544 5.108 -15.702 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.614 4.734 -16.896 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.533 3.924 -15.401 1.00 0.00 C ATOM 484 CD1 ILE A 29 3.397 4.533 -18.201 1.00 0.00 C ATOM 0 H ILE A 29 3.383 7.450 -14.714 1.00 0.00 H new ATOM 0 HA ILE A 29 1.600 5.035 -14.721 1.00 0.00 H new ATOM 0 HB ILE A 29 4.200 5.956 -15.900 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.069 3.821 -16.657 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.872 5.520 -17.037 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.159 3.741 -16.275 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.164 4.184 -14.551 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.963 3.024 -15.168 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.706 4.274 -19.004 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.921 5.454 -18.456 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.120 3.728 -18.071 1.00 0.00 H new ATOM 496 N LEU A 30 2.589 3.742 -12.907 1.00 0.00 N ATOM 497 CA LEU A 30 2.983 3.018 -11.665 1.00 0.00 C ATOM 498 C LEU A 30 3.488 1.616 -12.053 1.00 0.00 C ATOM 499 O LEU A 30 2.806 0.896 -12.757 1.00 0.00 O ATOM 500 CB LEU A 30 1.750 2.901 -10.733 1.00 0.00 C ATOM 501 CG LEU A 30 1.308 4.307 -10.199 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.462 5.065 -11.266 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.485 4.148 -8.890 1.00 0.00 C ATOM 0 H LEU A 30 1.959 3.221 -13.517 1.00 0.00 H new ATOM 0 HA LEU A 30 3.773 3.558 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.924 2.439 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.986 2.248 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 30 2.206 4.889 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.167 6.038 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.056 5.204 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.429 4.484 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.183 5.131 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.402 3.547 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.096 3.655 -8.134 1.00 0.00 H new ATOM 515 N THR A 31 4.667 1.289 -11.581 1.00 0.00 N ATOM 516 CA THR A 31 5.277 -0.054 -11.854 1.00 0.00 C ATOM 517 C THR A 31 5.228 -0.892 -10.574 1.00 0.00 C ATOM 518 O THR A 31 5.454 -0.376 -9.495 1.00 0.00 O ATOM 519 CB THR A 31 6.746 0.135 -12.308 1.00 0.00 C ATOM 520 OG1 THR A 31 6.672 0.971 -13.455 1.00 0.00 O ATOM 521 CG2 THR A 31 7.374 -1.203 -12.828 1.00 0.00 C ATOM 0 H THR A 31 5.243 1.906 -11.008 1.00 0.00 H new ATOM 0 HA THR A 31 4.723 -0.565 -12.642 1.00 0.00 H new ATOM 0 HB THR A 31 7.336 0.517 -11.475 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.575 1.136 -13.799 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.404 -1.026 -13.136 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.356 -1.947 -12.032 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.799 -1.569 -13.679 1.00 0.00 H new ATOM 529 N VAL A 32 4.933 -2.157 -10.743 1.00 0.00 N ATOM 530 CA VAL A 32 4.906 -3.110 -9.587 1.00 0.00 C ATOM 531 C VAL A 32 6.179 -3.967 -9.625 1.00 0.00 C ATOM 532 O VAL A 32 7.258 -3.453 -9.857 1.00 0.00 O ATOM 533 CB VAL A 32 3.611 -4.012 -9.691 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.248 -4.545 -8.266 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.425 -3.202 -10.279 1.00 0.00 C ATOM 0 H VAL A 32 4.706 -2.577 -11.645 1.00 0.00 H new ATOM 0 HA VAL A 32 4.875 -2.569 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 32 3.809 -4.851 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.356 -5.168 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.077 -5.135 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.057 -3.703 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.544 -3.841 -10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.210 -2.351 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.687 -2.845 -11.275 1.00 0.00 H new ATOM 545 N ASN A 33 6.014 -5.245 -9.396 1.00 0.00 N ATOM 546 CA ASN A 33 7.160 -6.193 -9.331 1.00 0.00 C ATOM 547 C ASN A 33 7.140 -7.097 -10.556 1.00 0.00 C ATOM 548 O ASN A 33 6.569 -6.742 -11.567 1.00 0.00 O ATOM 549 CB ASN A 33 7.020 -7.005 -8.013 1.00 0.00 C ATOM 550 CG ASN A 33 6.855 -6.025 -6.839 1.00 0.00 C ATOM 551 OD1 ASN A 33 5.976 -6.163 -6.012 1.00 0.00 O ATOM 552 ND2 ASN A 33 7.677 -5.017 -6.732 1.00 0.00 N ATOM 0 H ASN A 33 5.103 -5.680 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 33 8.115 -5.668 -9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.160 -7.672 -8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.899 -7.631 -7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.577 -4.357 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.420 -4.889 -7.419 1.00 0.00 H new ATOM 559 N LYS A 34 7.772 -8.233 -10.419 1.00 0.00 N ATOM 560 CA LYS A 34 7.874 -9.212 -11.540 1.00 0.00 C ATOM 561 C LYS A 34 7.649 -10.648 -11.041 1.00 0.00 C ATOM 562 O LYS A 34 7.682 -11.580 -11.823 1.00 0.00 O ATOM 563 CB LYS A 34 9.267 -9.054 -12.166 1.00 0.00 C ATOM 564 CG LYS A 34 10.355 -9.513 -11.164 1.00 0.00 C ATOM 565 CD LYS A 34 11.600 -8.604 -11.273 1.00 0.00 C ATOM 566 CE LYS A 34 12.763 -9.245 -10.492 1.00 0.00 C ATOM 567 NZ LYS A 34 13.860 -8.253 -10.294 1.00 0.00 N ATOM 0 H LYS A 34 8.232 -8.529 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 34 7.102 -9.017 -12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.332 -9.643 -13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.433 -8.013 -12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.961 -9.481 -10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.632 -10.548 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.878 -8.471 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.379 -7.614 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.408 -9.603 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.140 -10.112 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.638 -8.697 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.208 -7.931 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.499 -7.438 -9.758 1.00 0.00 H new ATOM 581 N GLY A 35 7.426 -10.780 -9.755 1.00 0.00 N ATOM 582 CA GLY A 35 7.197 -12.123 -9.142 1.00 0.00 C ATOM 583 C GLY A 35 6.007 -12.814 -9.806 1.00 0.00 C ATOM 584 O GLY A 35 6.111 -13.950 -10.224 1.00 0.00 O ATOM 0 H GLY A 35 7.393 -10.002 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.091 -12.737 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.014 -12.016 -8.073 1.00 0.00 H new ATOM 588 N SER A 36 4.934 -12.067 -9.864 1.00 0.00 N ATOM 589 CA SER A 36 3.680 -12.435 -10.611 1.00 0.00 C ATOM 590 C SER A 36 2.530 -11.706 -9.920 1.00 0.00 C ATOM 591 O SER A 36 1.760 -11.004 -10.548 1.00 0.00 O ATOM 592 CB SER A 36 3.368 -13.959 -10.553 1.00 0.00 C ATOM 593 OG SER A 36 3.910 -14.476 -11.760 1.00 0.00 O ATOM 0 H SER A 36 4.870 -11.163 -9.397 1.00 0.00 H new ATOM 0 HA SER A 36 3.808 -12.162 -11.658 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.825 -14.425 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.296 -14.143 -10.488 1.00 0.00 H new ATOM 0 HG SER A 36 4.885 -14.538 -11.681 1.00 0.00 H new ATOM 599 N LEU A 37 2.475 -11.921 -8.628 1.00 0.00 N ATOM 600 CA LEU A 37 1.419 -11.307 -7.764 1.00 0.00 C ATOM 601 C LEU A 37 1.629 -11.662 -6.275 1.00 0.00 C ATOM 602 O LEU A 37 1.141 -10.957 -5.415 1.00 0.00 O ATOM 603 CB LEU A 37 -0.018 -11.789 -8.219 1.00 0.00 C ATOM 604 CG LEU A 37 -0.094 -13.261 -8.753 1.00 0.00 C ATOM 605 CD1 LEU A 37 0.271 -14.273 -7.638 1.00 0.00 C ATOM 606 CD2 LEU A 37 -1.537 -13.536 -9.275 1.00 0.00 C ATOM 0 H LEU A 37 3.136 -12.512 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 37 1.495 -10.226 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.700 -11.691 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.378 -11.118 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 37 0.624 -13.383 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.211 -15.287 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.285 -14.079 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.426 -14.166 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.600 -14.558 -9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.250 -13.403 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.771 -12.840 -10.080 1.00 0.00 H new ATOM 618 N VAL A 38 2.347 -12.729 -6.002 1.00 0.00 N ATOM 619 CA VAL A 38 2.718 -13.060 -4.581 1.00 0.00 C ATOM 620 C VAL A 38 3.646 -11.996 -3.982 1.00 0.00 C ATOM 621 O VAL A 38 3.800 -11.900 -2.780 1.00 0.00 O ATOM 622 CB VAL A 38 3.440 -14.452 -4.517 1.00 0.00 C ATOM 623 CG1 VAL A 38 3.493 -14.961 -3.038 1.00 0.00 C ATOM 624 CG2 VAL A 38 2.725 -15.498 -5.417 1.00 0.00 C ATOM 0 H VAL A 38 2.693 -13.386 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 38 1.794 -13.090 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 38 4.456 -14.324 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.996 -15.928 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.041 -14.245 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.479 -15.066 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.248 -16.452 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.696 -15.625 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.729 -15.152 -6.451 1.00 0.00 H new ATOM 634 N ALA A 39 4.232 -11.231 -4.865 1.00 0.00 N ATOM 635 CA ALA A 39 4.957 -9.978 -4.490 1.00 0.00 C ATOM 636 C ALA A 39 4.120 -9.072 -3.569 1.00 0.00 C ATOM 637 O ALA A 39 4.672 -8.319 -2.790 1.00 0.00 O ATOM 638 CB ALA A 39 5.318 -9.215 -5.783 1.00 0.00 C ATOM 0 H ALA A 39 4.238 -11.430 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 39 5.855 -10.254 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.848 -8.297 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.955 -9.840 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.406 -8.968 -6.327 1.00 0.00 H new ATOM 644 N LEU A 40 2.818 -9.175 -3.696 1.00 0.00 N ATOM 645 CA LEU A 40 1.880 -8.403 -2.821 1.00 0.00 C ATOM 646 C LEU A 40 1.234 -9.308 -1.762 1.00 0.00 C ATOM 647 O LEU A 40 0.633 -8.822 -0.822 1.00 0.00 O ATOM 648 CB LEU A 40 0.789 -7.775 -3.706 1.00 0.00 C ATOM 649 CG LEU A 40 1.305 -6.486 -4.407 1.00 0.00 C ATOM 650 CD1 LEU A 40 2.516 -6.790 -5.331 1.00 0.00 C ATOM 651 CD2 LEU A 40 0.149 -5.901 -5.250 1.00 0.00 C ATOM 0 H LEU A 40 2.358 -9.773 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 40 2.440 -7.628 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.467 -8.496 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.084 -7.537 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 40 1.635 -5.776 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.852 -5.868 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.329 -7.211 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.218 -7.505 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.487 -4.995 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.165 -6.633 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.692 -5.663 -4.599 1.00 0.00 H new ATOM 663 N GLY A 41 1.380 -10.594 -1.956 1.00 0.00 N ATOM 664 CA GLY A 41 0.741 -11.600 -1.048 1.00 0.00 C ATOM 665 C GLY A 41 -0.562 -12.135 -1.639 1.00 0.00 C ATOM 666 O GLY A 41 -1.455 -12.543 -0.923 1.00 0.00 O ATOM 0 H GLY A 41 1.924 -10.998 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.430 -12.426 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.542 -11.143 -0.079 1.00 0.00 H new ATOM 670 N PHE A 42 -0.614 -12.104 -2.943 1.00 0.00 N ATOM 671 CA PHE A 42 -1.798 -12.622 -3.699 1.00 0.00 C ATOM 672 C PHE A 42 -1.596 -14.075 -4.158 1.00 0.00 C ATOM 673 O PHE A 42 -0.507 -14.616 -4.092 1.00 0.00 O ATOM 674 CB PHE A 42 -2.036 -11.714 -4.925 1.00 0.00 C ATOM 675 CG PHE A 42 -3.035 -10.599 -4.589 1.00 0.00 C ATOM 676 CD1 PHE A 42 -2.774 -9.696 -3.572 1.00 0.00 C ATOM 677 CD2 PHE A 42 -4.209 -10.484 -5.309 1.00 0.00 C ATOM 678 CE1 PHE A 42 -3.677 -8.697 -3.281 1.00 0.00 C ATOM 679 CE2 PHE A 42 -5.113 -9.488 -5.019 1.00 0.00 C ATOM 680 CZ PHE A 42 -4.845 -8.592 -4.006 1.00 0.00 C ATOM 0 H PHE A 42 0.131 -11.733 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.664 -12.609 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.091 -11.277 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.414 -12.309 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.859 -9.775 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.419 -11.182 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.470 -7.997 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.030 -9.408 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.551 -7.807 -3.780 1.00 0.00 H new ATOM 690 N SER A 43 -2.687 -14.641 -4.611 1.00 0.00 N ATOM 691 CA SER A 43 -2.717 -16.050 -5.117 1.00 0.00 C ATOM 692 C SER A 43 -3.770 -16.112 -6.234 1.00 0.00 C ATOM 693 O SER A 43 -4.949 -15.975 -5.977 1.00 0.00 O ATOM 694 CB SER A 43 -3.069 -16.975 -3.907 1.00 0.00 C ATOM 695 OG SER A 43 -3.761 -18.120 -4.394 1.00 0.00 O ATOM 0 H SER A 43 -3.590 -14.168 -4.652 1.00 0.00 H new ATOM 0 HA SER A 43 -1.764 -16.381 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.161 -17.276 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.687 -16.438 -3.188 1.00 0.00 H new ATOM 0 HG SER A 43 -3.986 -18.709 -3.644 1.00 0.00 H new ATOM 701 N ASP A 44 -3.288 -16.320 -7.438 1.00 0.00 N ATOM 702 CA ASP A 44 -4.136 -16.403 -8.670 1.00 0.00 C ATOM 703 C ASP A 44 -5.235 -15.327 -8.740 1.00 0.00 C ATOM 704 O ASP A 44 -6.341 -15.510 -8.265 1.00 0.00 O ATOM 705 CB ASP A 44 -4.727 -17.831 -8.699 1.00 0.00 C ATOM 706 CG ASP A 44 -5.670 -18.010 -9.906 1.00 0.00 C ATOM 707 OD1 ASP A 44 -5.145 -18.058 -11.008 1.00 0.00 O ATOM 708 OD2 ASP A 44 -6.863 -18.087 -9.661 1.00 0.00 O ATOM 0 H ASP A 44 -2.292 -16.441 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.522 -16.207 -9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.920 -18.562 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.272 -18.023 -7.775 1.00 0.00 H new ATOM 713 N GLY A 45 -4.861 -14.227 -9.346 1.00 0.00 N ATOM 714 CA GLY A 45 -5.717 -13.001 -9.359 1.00 0.00 C ATOM 715 C GLY A 45 -5.772 -12.362 -10.749 1.00 0.00 C ATOM 716 O GLY A 45 -6.534 -11.439 -10.953 1.00 0.00 O ATOM 0 H GLY A 45 -3.977 -14.126 -9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.726 -13.259 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.328 -12.278 -8.642 1.00 0.00 H new ATOM 720 N GLN A 46 -4.966 -12.874 -11.654 1.00 0.00 N ATOM 721 CA GLN A 46 -4.731 -12.276 -12.988 1.00 0.00 C ATOM 722 C GLN A 46 -4.353 -10.798 -12.844 1.00 0.00 C ATOM 723 O GLN A 46 -5.202 -9.946 -12.689 1.00 0.00 O ATOM 724 CB GLN A 46 -6.011 -12.466 -13.810 1.00 0.00 C ATOM 725 CG GLN A 46 -6.353 -13.973 -14.002 1.00 0.00 C ATOM 726 CD GLN A 46 -5.579 -14.606 -15.177 1.00 0.00 C ATOM 727 OE1 GLN A 46 -4.787 -13.981 -15.856 1.00 0.00 O ATOM 728 NE2 GLN A 46 -5.792 -15.867 -15.444 1.00 0.00 N ATOM 0 H GLN A 46 -4.438 -13.732 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.900 -12.762 -13.499 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.841 -11.965 -13.312 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.891 -11.993 -14.785 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.123 -14.515 -13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.424 -14.081 -14.176 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.454 -16.403 -14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.297 -16.316 -16.214 1.00 0.00 H new ATOM 737 N GLU A 47 -3.068 -10.557 -12.894 1.00 0.00 N ATOM 738 CA GLU A 47 -2.533 -9.144 -12.880 1.00 0.00 C ATOM 739 C GLU A 47 -3.258 -8.164 -13.831 1.00 0.00 C ATOM 740 O GLU A 47 -3.256 -6.969 -13.618 1.00 0.00 O ATOM 741 CB GLU A 47 -1.021 -9.163 -13.231 1.00 0.00 C ATOM 742 CG GLU A 47 -0.730 -9.866 -14.580 1.00 0.00 C ATOM 743 CD GLU A 47 0.148 -11.103 -14.310 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.357 -10.928 -14.319 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.444 -12.152 -14.106 1.00 0.00 O ATOM 0 H GLU A 47 -2.352 -11.281 -12.945 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.712 -8.772 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.649 -8.139 -13.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.474 -9.670 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.662 -10.161 -15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.222 -9.183 -15.261 1.00 0.00 H new ATOM 752 N ALA A 48 -3.855 -8.722 -14.849 1.00 0.00 N ATOM 753 CA ALA A 48 -4.619 -7.931 -15.874 1.00 0.00 C ATOM 754 C ALA A 48 -6.104 -7.711 -15.501 1.00 0.00 C ATOM 755 O ALA A 48 -6.873 -7.250 -16.324 1.00 0.00 O ATOM 756 CB ALA A 48 -4.501 -8.681 -17.227 1.00 0.00 C ATOM 0 H ALA A 48 -3.848 -9.727 -15.023 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.186 -6.932 -15.933 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.046 -8.133 -17.996 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.451 -8.757 -17.511 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.923 -9.681 -17.127 1.00 0.00 H new ATOM 762 N LYS A 49 -6.462 -8.040 -14.284 1.00 0.00 N ATOM 763 CA LYS A 49 -7.857 -7.837 -13.773 1.00 0.00 C ATOM 764 C LYS A 49 -7.800 -7.083 -12.422 1.00 0.00 C ATOM 765 O LYS A 49 -7.954 -7.688 -11.378 1.00 0.00 O ATOM 766 CB LYS A 49 -8.538 -9.219 -13.588 1.00 0.00 C ATOM 767 CG LYS A 49 -9.116 -9.710 -14.940 1.00 0.00 C ATOM 768 CD LYS A 49 -9.003 -11.247 -15.024 1.00 0.00 C ATOM 769 CE LYS A 49 -10.152 -11.832 -15.865 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.179 -11.211 -17.220 1.00 0.00 N ATOM 0 H LYS A 49 -5.826 -8.454 -13.602 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.435 -7.248 -14.485 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.816 -9.942 -13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.335 -9.145 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.159 -9.406 -15.033 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.575 -9.250 -15.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.045 -11.523 -15.466 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.026 -11.674 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.030 -12.911 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.103 -11.660 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.844 -11.731 -17.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.484 -10.220 -17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.227 -11.248 -17.638 1.00 0.00 H new ATOM 784 N PRO A 50 -7.582 -5.785 -12.465 1.00 0.00 N ATOM 785 CA PRO A 50 -7.699 -4.916 -11.262 1.00 0.00 C ATOM 786 C PRO A 50 -9.109 -4.937 -10.645 1.00 0.00 C ATOM 787 O PRO A 50 -9.283 -4.559 -9.504 1.00 0.00 O ATOM 788 CB PRO A 50 -7.293 -3.505 -11.721 1.00 0.00 C ATOM 789 CG PRO A 50 -6.942 -3.595 -13.236 1.00 0.00 C ATOM 790 CD PRO A 50 -7.196 -5.041 -13.695 1.00 0.00 C ATOM 0 HA PRO A 50 -7.050 -5.278 -10.464 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.106 -2.798 -11.556 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.438 -3.146 -11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.553 -2.899 -13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.901 -3.319 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.987 -5.082 -14.443 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.304 -5.471 -14.150 1.00 0.00 H new ATOM 798 N GLU A 51 -10.066 -5.379 -11.429 1.00 0.00 N ATOM 799 CA GLU A 51 -11.499 -5.399 -10.991 1.00 0.00 C ATOM 800 C GLU A 51 -11.679 -6.132 -9.654 1.00 0.00 C ATOM 801 O GLU A 51 -12.428 -5.693 -8.804 1.00 0.00 O ATOM 802 CB GLU A 51 -12.353 -6.104 -12.061 1.00 0.00 C ATOM 803 CG GLU A 51 -12.303 -5.345 -13.407 1.00 0.00 C ATOM 804 CD GLU A 51 -13.177 -4.080 -13.322 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.381 -4.245 -13.451 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.596 -3.023 -13.131 1.00 0.00 O ATOM 0 H GLU A 51 -9.910 -5.734 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.818 -4.365 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.995 -7.124 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.385 -6.174 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.274 -5.073 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.656 -5.989 -14.212 1.00 0.00 H new ATOM 813 N GLU A 52 -10.981 -7.231 -9.519 1.00 0.00 N ATOM 814 CA GLU A 52 -11.079 -8.062 -8.277 1.00 0.00 C ATOM 815 C GLU A 52 -10.050 -7.604 -7.236 1.00 0.00 C ATOM 816 O GLU A 52 -10.249 -7.783 -6.050 1.00 0.00 O ATOM 817 CB GLU A 52 -10.842 -9.537 -8.647 1.00 0.00 C ATOM 818 CG GLU A 52 -9.528 -9.687 -9.456 1.00 0.00 C ATOM 819 CD GLU A 52 -9.168 -11.172 -9.606 1.00 0.00 C ATOM 820 OE1 GLU A 52 -8.731 -11.726 -8.610 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.349 -11.669 -10.707 1.00 0.00 O ATOM 0 H GLU A 52 -10.339 -7.593 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.071 -7.945 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.790 -10.142 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.682 -9.911 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.643 -9.231 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.719 -9.158 -8.952 1.00 0.00 H new ATOM 828 N ILE A 53 -8.979 -7.025 -7.719 1.00 0.00 N ATOM 829 CA ILE A 53 -7.871 -6.594 -6.815 1.00 0.00 C ATOM 830 C ILE A 53 -8.244 -5.260 -6.157 1.00 0.00 C ATOM 831 O ILE A 53 -8.789 -4.382 -6.800 1.00 0.00 O ATOM 832 CB ILE A 53 -6.560 -6.423 -7.628 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.345 -7.653 -8.558 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.364 -6.291 -6.642 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.105 -7.463 -9.460 1.00 0.00 C ATOM 0 H ILE A 53 -8.825 -6.831 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.717 -7.352 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.628 -5.526 -8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.224 -8.552 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.229 -7.802 -9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.439 -6.171 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.514 -5.422 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.299 -7.188 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.981 -8.338 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.239 -6.577 -10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.218 -7.339 -8.838 1.00 0.00 H new ATOM 847 N GLY A 54 -7.930 -5.155 -4.892 1.00 0.00 N ATOM 848 CA GLY A 54 -8.315 -3.946 -4.110 1.00 0.00 C ATOM 849 C GLY A 54 -7.206 -2.906 -4.216 1.00 0.00 C ATOM 850 O GLY A 54 -7.169 -2.113 -5.137 1.00 0.00 O ATOM 0 H GLY A 54 -7.419 -5.862 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.251 -3.536 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.482 -4.212 -3.066 1.00 0.00 H new ATOM 854 N TRP A 55 -6.335 -2.968 -3.248 1.00 0.00 N ATOM 855 CA TRP A 55 -5.193 -2.011 -3.162 1.00 0.00 C ATOM 856 C TRP A 55 -3.953 -2.650 -3.793 1.00 0.00 C ATOM 857 O TRP A 55 -3.497 -3.690 -3.359 1.00 0.00 O ATOM 858 CB TRP A 55 -4.952 -1.683 -1.677 1.00 0.00 C ATOM 859 CG TRP A 55 -6.022 -0.667 -1.256 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.212 -0.975 -0.665 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.936 0.667 -1.419 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.774 0.206 -0.520 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.090 1.255 -0.941 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.942 1.460 -1.957 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.250 2.621 -0.996 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.104 2.826 -2.008 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.255 3.405 -1.533 1.00 0.00 C ATOM 0 H TRP A 55 -6.366 -3.656 -2.496 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.412 -1.089 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.018 -2.585 -1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.953 -1.272 -1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.597 -1.945 -0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.698 0.307 -0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.038 1.009 -2.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.154 3.076 -0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.323 3.445 -2.423 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.379 4.477 -1.581 1.00 0.00 H new ATOM 878 N LEU A 56 -3.452 -1.994 -4.808 1.00 0.00 N ATOM 879 CA LEU A 56 -2.135 -2.378 -5.399 1.00 0.00 C ATOM 880 C LEU A 56 -1.080 -1.461 -4.773 1.00 0.00 C ATOM 881 O LEU A 56 -1.299 -0.273 -4.648 1.00 0.00 O ATOM 882 CB LEU A 56 -2.177 -2.176 -6.926 1.00 0.00 C ATOM 883 CG LEU A 56 -3.319 -3.016 -7.576 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.629 -2.184 -7.644 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.914 -3.494 -9.004 1.00 0.00 C ATOM 0 H LEU A 56 -3.905 -1.199 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.902 -3.424 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.325 -1.120 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.219 -2.463 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.489 -3.895 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.417 -2.783 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.929 -1.895 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.461 -1.289 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.727 -4.078 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.714 -2.628 -9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.018 -4.111 -8.941 1.00 0.00 H new ATOM 897 N ASN A 57 0.029 -2.040 -4.398 1.00 0.00 N ATOM 898 CA ASN A 57 1.215 -1.234 -3.980 1.00 0.00 C ATOM 899 C ASN A 57 2.190 -1.134 -5.166 1.00 0.00 C ATOM 900 O ASN A 57 2.618 -2.140 -5.698 1.00 0.00 O ATOM 901 CB ASN A 57 1.861 -1.942 -2.779 1.00 0.00 C ATOM 902 CG ASN A 57 2.965 -1.066 -2.183 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.734 0.205 -2.000 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 4.048 -1.527 -1.878 1.00 0.00 N flip ATOM 0 H ASN A 57 0.166 -3.050 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 57 0.934 -0.222 -3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.106 -2.153 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.276 -2.900 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.237 -2.520 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.767 -0.921 -1.483 1.00 0.00 H new ATOM 911 N GLY A 58 2.501 0.081 -5.540 1.00 0.00 N ATOM 912 CA GLY A 58 3.525 0.338 -6.603 1.00 0.00 C ATOM 913 C GLY A 58 4.157 1.718 -6.384 1.00 0.00 C ATOM 914 O GLY A 58 3.830 2.405 -5.435 1.00 0.00 O ATOM 0 H GLY A 58 2.081 0.923 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.294 -0.434 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.061 0.291 -7.588 1.00 0.00 H new ATOM 918 N TYR A 59 5.052 2.080 -7.272 1.00 0.00 N ATOM 919 CA TYR A 59 5.738 3.408 -7.192 1.00 0.00 C ATOM 920 C TYR A 59 5.762 4.104 -8.562 1.00 0.00 C ATOM 921 O TYR A 59 5.895 3.459 -9.585 1.00 0.00 O ATOM 922 CB TYR A 59 7.177 3.177 -6.673 1.00 0.00 C ATOM 923 CG TYR A 59 7.874 2.053 -7.464 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.768 0.736 -7.055 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.615 2.342 -8.594 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.389 -0.270 -7.763 1.00 0.00 C ATOM 927 CE2 TYR A 59 9.236 1.335 -9.303 1.00 0.00 C ATOM 928 CZ TYR A 59 9.127 0.021 -8.892 1.00 0.00 C ATOM 929 OH TYR A 59 9.745 -0.989 -9.600 1.00 0.00 O ATOM 0 H TYR A 59 5.340 1.502 -8.061 1.00 0.00 H new ATOM 0 HA TYR A 59 5.193 4.061 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.752 4.099 -6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.149 2.918 -5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.194 0.494 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.709 3.366 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.297 -1.294 -7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.811 1.576 -10.185 1.00 0.00 H new ATOM 0 HH TYR A 59 10.221 -0.607 -10.367 1.00 0.00 H new ATOM 939 N ASN A 60 5.629 5.408 -8.521 1.00 0.00 N ATOM 940 CA ASN A 60 5.740 6.256 -9.754 1.00 0.00 C ATOM 941 C ASN A 60 7.122 6.929 -9.781 1.00 0.00 C ATOM 942 O ASN A 60 7.341 7.942 -9.142 1.00 0.00 O ATOM 943 CB ASN A 60 4.630 7.365 -9.769 1.00 0.00 C ATOM 944 CG ASN A 60 3.783 7.366 -8.493 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.362 7.681 -7.369 1.00 0.00 O flip ATOM 946 ND2 ASN A 60 2.601 7.085 -8.503 1.00 0.00 N flip ATOM 0 H ASN A 60 5.444 5.933 -7.666 1.00 0.00 H new ATOM 0 HA ASN A 60 5.611 5.618 -10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.099 8.342 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.981 7.213 -10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.143 6.838 -9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.067 7.096 -7.634 1.00 0.00 H new ATOM 953 N GLU A 61 8.013 6.333 -10.534 1.00 0.00 N ATOM 954 CA GLU A 61 9.387 6.905 -10.710 1.00 0.00 C ATOM 955 C GLU A 61 9.330 8.338 -11.276 1.00 0.00 C ATOM 956 O GLU A 61 10.206 9.138 -11.008 1.00 0.00 O ATOM 957 CB GLU A 61 10.191 6.010 -11.674 1.00 0.00 C ATOM 958 CG GLU A 61 10.360 4.594 -11.077 1.00 0.00 C ATOM 959 CD GLU A 61 11.337 3.776 -11.947 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.516 4.088 -11.881 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.852 2.887 -12.628 1.00 0.00 O ATOM 0 H GLU A 61 7.846 5.464 -11.041 1.00 0.00 H new ATOM 0 HA GLU A 61 9.870 6.942 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.680 5.948 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.170 6.452 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.736 4.662 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.394 4.092 -11.028 1.00 0.00 H new ATOM 968 N THR A 62 8.297 8.611 -12.041 1.00 0.00 N ATOM 969 CA THR A 62 8.059 9.986 -12.600 1.00 0.00 C ATOM 970 C THR A 62 8.065 11.065 -11.506 1.00 0.00 C ATOM 971 O THR A 62 8.647 12.118 -11.683 1.00 0.00 O ATOM 972 CB THR A 62 6.693 9.992 -13.335 1.00 0.00 C ATOM 973 OG1 THR A 62 6.815 8.990 -14.335 1.00 0.00 O ATOM 974 CG2 THR A 62 6.456 11.309 -14.125 1.00 0.00 C ATOM 0 H THR A 62 7.592 7.923 -12.308 1.00 0.00 H new ATOM 0 HA THR A 62 8.870 10.222 -13.289 1.00 0.00 H new ATOM 0 HB THR A 62 5.892 9.856 -12.608 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.980 8.934 -14.845 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.487 11.266 -14.622 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.473 12.154 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.241 11.432 -14.871 1.00 0.00 H new ATOM 982 N THR A 63 7.413 10.758 -10.414 1.00 0.00 N ATOM 983 CA THR A 63 7.353 11.698 -9.248 1.00 0.00 C ATOM 984 C THR A 63 8.318 11.239 -8.148 1.00 0.00 C ATOM 985 O THR A 63 8.473 11.908 -7.143 1.00 0.00 O ATOM 986 CB THR A 63 5.910 11.730 -8.705 1.00 0.00 C ATOM 987 OG1 THR A 63 5.522 10.370 -8.553 1.00 0.00 O ATOM 988 CG2 THR A 63 4.939 12.319 -9.753 1.00 0.00 C ATOM 0 H THR A 63 6.910 9.881 -10.277 1.00 0.00 H new ATOM 0 HA THR A 63 7.647 12.697 -9.570 1.00 0.00 H new ATOM 0 HB THR A 63 5.876 12.321 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.606 10.328 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.928 12.331 -9.346 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.243 13.336 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.960 11.706 -10.654 1.00 0.00 H new ATOM 996 N GLY A 64 8.933 10.105 -8.379 1.00 0.00 N ATOM 997 CA GLY A 64 9.779 9.457 -7.334 1.00 0.00 C ATOM 998 C GLY A 64 8.985 9.165 -6.054 1.00 0.00 C ATOM 999 O GLY A 64 9.551 9.137 -4.980 1.00 0.00 O ATOM 0 H GLY A 64 8.882 9.595 -9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.191 8.527 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.623 10.105 -7.098 1.00 0.00 H new ATOM 1003 N GLU A 65 7.699 8.957 -6.214 1.00 0.00 N ATOM 1004 CA GLU A 65 6.811 8.706 -5.035 1.00 0.00 C ATOM 1005 C GLU A 65 6.467 7.211 -4.965 1.00 0.00 C ATOM 1006 O GLU A 65 6.509 6.522 -5.964 1.00 0.00 O ATOM 1007 CB GLU A 65 5.532 9.558 -5.196 1.00 0.00 C ATOM 1008 CG GLU A 65 5.835 11.031 -4.837 1.00 0.00 C ATOM 1009 CD GLU A 65 5.267 11.337 -3.438 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.945 10.971 -2.493 1.00 0.00 O ATOM 1011 OE2 GLU A 65 4.191 11.914 -3.393 1.00 0.00 O ATOM 0 H GLU A 65 7.224 8.950 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 65 7.313 8.985 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.167 9.492 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.743 9.172 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.910 11.208 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.391 11.697 -5.577 1.00 0.00 H new ATOM 1018 N ARG A 66 6.139 6.763 -3.777 1.00 0.00 N ATOM 1019 CA ARG A 66 5.779 5.327 -3.565 1.00 0.00 C ATOM 1020 C ARG A 66 4.655 5.211 -2.531 1.00 0.00 C ATOM 1021 O ARG A 66 4.660 5.891 -1.522 1.00 0.00 O ATOM 1022 CB ARG A 66 7.039 4.550 -3.085 1.00 0.00 C ATOM 1023 CG ARG A 66 7.418 4.906 -1.625 1.00 0.00 C ATOM 1024 CD ARG A 66 8.891 4.514 -1.356 1.00 0.00 C ATOM 1025 NE ARG A 66 9.753 5.682 -1.718 1.00 0.00 N ATOM 1026 CZ ARG A 66 11.020 5.551 -2.020 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.626 4.396 -1.921 1.00 0.00 N ATOM 1028 NH2 ARG A 66 11.656 6.614 -2.427 1.00 0.00 N ATOM 0 H ARG A 66 6.105 7.339 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 66 5.426 4.898 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.855 3.478 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.878 4.777 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.279 5.973 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.760 4.383 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.029 4.248 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.167 3.640 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 66 9.339 6.614 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.111 3.575 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.614 4.316 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.165 7.505 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.644 6.554 -2.672 1.00 0.00 H new ATOM 1042 N GLY A 67 3.723 4.347 -2.835 1.00 0.00 N ATOM 1043 CA GLY A 67 2.651 3.989 -1.861 1.00 0.00 C ATOM 1044 C GLY A 67 1.604 3.089 -2.525 1.00 0.00 C ATOM 1045 O GLY A 67 1.880 2.397 -3.486 1.00 0.00 O ATOM 0 H GLY A 67 3.659 3.866 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.087 3.478 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.175 4.895 -1.485 1.00 0.00 H new ATOM 1049 N ASP A 68 0.421 3.140 -1.968 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.687 2.236 -2.405 1.00 0.00 C ATOM 1051 C ASP A 68 -1.710 3.055 -3.203 1.00 0.00 C ATOM 1052 O ASP A 68 -1.843 4.250 -3.006 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.362 1.607 -1.157 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.339 1.470 -0.010 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.516 0.612 -0.156 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.467 2.226 0.942 1.00 0.00 O ATOM 0 H ASP A 68 0.171 3.781 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.294 1.437 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.199 2.227 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.769 0.628 -1.409 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.404 2.378 -4.081 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.468 3.031 -4.899 1.00 0.00 C ATOM 1063 C PHE A 69 -4.578 1.999 -5.186 1.00 0.00 C ATOM 1064 O PHE A 69 -4.286 0.823 -5.287 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.841 3.552 -6.216 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.200 2.415 -7.036 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.949 1.922 -6.714 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.876 1.878 -8.114 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.386 0.907 -7.462 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.318 0.866 -8.862 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.073 0.380 -8.538 1.00 0.00 C ATOM 0 H PHE A 69 -2.276 1.384 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.904 3.875 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.609 4.043 -6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.086 4.304 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.410 2.333 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.854 2.256 -8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.591 0.525 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.857 0.454 -9.702 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.633 -0.413 -9.124 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.813 2.441 -5.311 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.941 1.538 -5.662 1.00 0.00 C ATOM 1083 C PRO A 70 -6.752 0.894 -7.048 1.00 0.00 C ATOM 1084 O PRO A 70 -6.027 1.406 -7.879 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.210 2.395 -5.599 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.770 3.845 -5.246 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.234 3.855 -5.122 1.00 0.00 C ATOM 0 HA PRO A 70 -7.001 0.702 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.736 2.374 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.898 2.008 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.095 4.542 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.231 4.167 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.783 4.503 -5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.921 4.231 -4.148 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.425 -0.213 -7.243 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.379 -0.941 -8.549 1.00 0.00 C ATOM 1097 C GLY A 71 -8.691 -0.730 -9.303 1.00 0.00 C ATOM 1098 O GLY A 71 -9.336 -1.683 -9.701 1.00 0.00 O ATOM 0 H GLY A 71 -8.016 -0.651 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.542 -0.581 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.214 -2.005 -8.378 1.00 0.00 H new ATOM 1102 N THR A 72 -9.048 0.520 -9.472 1.00 0.00 N ATOM 1103 CA THR A 72 -10.239 0.876 -10.300 1.00 0.00 C ATOM 1104 C THR A 72 -10.101 2.264 -10.945 1.00 0.00 C ATOM 1105 O THR A 72 -10.826 2.588 -11.865 1.00 0.00 O ATOM 1106 CB THR A 72 -11.485 0.807 -9.377 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.614 1.021 -10.215 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.524 1.947 -8.323 1.00 0.00 C ATOM 0 H THR A 72 -8.558 1.317 -9.066 1.00 0.00 H new ATOM 0 HA THR A 72 -10.335 0.172 -11.127 1.00 0.00 H new ATOM 0 HB THR A 72 -11.468 -0.150 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.326 1.444 -11.051 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.418 1.844 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.639 1.887 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.542 2.911 -8.831 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.173 3.034 -10.440 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.894 4.397 -11.003 1.00 0.00 C ATOM 1118 C TYR A 73 -7.752 4.382 -12.026 1.00 0.00 C ATOM 1119 O TYR A 73 -7.467 5.396 -12.634 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.536 5.347 -9.851 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.831 5.793 -9.160 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.596 6.810 -9.698 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.247 5.183 -7.996 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.762 7.208 -9.079 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.412 5.581 -7.376 1.00 0.00 C ATOM 1126 CZ TYR A 73 -12.177 6.597 -7.914 1.00 0.00 C ATOM 1127 OH TYR A 73 -13.345 6.993 -7.293 1.00 0.00 O ATOM 0 H TYR A 73 -8.585 2.775 -9.648 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.791 4.736 -11.522 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.881 4.846 -9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.993 6.213 -10.230 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.279 7.296 -10.609 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.656 4.388 -7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.354 8.003 -9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.728 5.096 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.485 6.455 -6.486 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.136 3.238 -12.183 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.990 3.107 -13.132 1.00 0.00 C ATOM 1139 C VAL A 74 -6.425 2.263 -14.337 1.00 0.00 C ATOM 1140 O VAL A 74 -7.602 2.028 -14.539 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.800 2.452 -12.359 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.414 3.358 -11.142 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.165 1.008 -11.878 1.00 0.00 C ATOM 0 H VAL A 74 -7.381 2.380 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.671 4.078 -13.511 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.947 2.366 -13.032 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.584 2.905 -10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.118 4.343 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.271 3.457 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.318 0.578 -11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.028 1.053 -11.214 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.403 0.386 -12.741 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.457 1.840 -15.106 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.714 0.877 -16.213 1.00 0.00 C ATOM 1155 C GLU A 75 -4.454 0.034 -16.381 1.00 0.00 C ATOM 1156 O GLU A 75 -3.417 0.533 -16.775 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.022 1.679 -17.483 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.360 0.752 -18.677 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.565 1.336 -19.441 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.333 2.283 -20.177 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.648 0.808 -19.248 1.00 0.00 O ATOM 0 H GLU A 75 -4.483 2.127 -15.011 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.561 0.222 -16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.860 2.351 -17.295 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.164 2.302 -17.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.500 0.665 -19.341 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.591 -0.252 -18.321 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.590 -1.229 -16.070 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.559 -2.233 -16.470 1.00 0.00 C ATOM 1170 C TYR A 76 -3.221 -2.066 -17.958 1.00 0.00 C ATOM 1171 O TYR A 76 -4.110 -2.042 -18.788 1.00 0.00 O ATOM 1172 CB TYR A 76 -4.124 -3.640 -16.190 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.099 -4.698 -16.608 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -3.081 -5.189 -17.900 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -2.183 -5.178 -15.697 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -2.161 -6.143 -18.267 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -1.265 -6.132 -16.063 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.251 -6.618 -17.349 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.339 -7.579 -17.715 1.00 0.00 O ATOM 0 H TYR A 76 -5.380 -1.612 -15.550 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.641 -2.089 -15.900 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.358 -3.745 -15.131 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.055 -3.785 -16.738 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.793 -4.822 -18.625 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.187 -4.800 -14.685 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.152 -6.521 -19.279 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.553 -6.501 -15.339 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.562 -8.426 -17.275 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.946 -1.956 -18.237 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.474 -1.820 -19.648 1.00 0.00 C ATOM 1191 C ILE A 77 -0.641 -3.051 -20.057 1.00 0.00 C ATOM 1192 O ILE A 77 -1.184 -3.966 -20.647 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.639 -0.483 -19.769 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.162 -0.154 -18.470 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.598 0.708 -20.066 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.345 0.785 -18.800 1.00 0.00 C ATOM 0 H ILE A 77 -1.204 -1.955 -17.538 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.324 -1.770 -20.329 1.00 0.00 H new ATOM 0 HB ILE A 77 0.074 -0.630 -20.580 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.494 0.318 -17.738 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.533 -1.074 -18.019 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.020 1.628 -20.149 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.126 0.525 -21.002 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.320 0.805 -19.255 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.898 1.009 -17.887 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.008 0.298 -19.515 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.965 1.712 -19.230 1.00 0.00 H new ATOM 1208 N GLY A 78 0.633 -3.058 -19.742 1.00 0.00 N ATOM 1209 CA GLY A 78 1.563 -4.118 -20.261 1.00 0.00 C ATOM 1210 C GLY A 78 1.992 -5.054 -19.124 1.00 0.00 C ATOM 1211 O GLY A 78 1.879 -4.702 -17.967 1.00 0.00 O ATOM 0 H GLY A 78 1.076 -2.365 -19.139 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.070 -4.691 -21.046 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.441 -3.653 -20.709 1.00 0.00 H new ATOM 1215 N ARG A 79 2.476 -6.220 -19.495 1.00 0.00 N ATOM 1216 CA ARG A 79 2.886 -7.248 -18.482 1.00 0.00 C ATOM 1217 C ARG A 79 4.403 -7.514 -18.488 1.00 0.00 C ATOM 1218 O ARG A 79 4.878 -8.542 -18.043 1.00 0.00 O ATOM 1219 CB ARG A 79 2.145 -8.596 -18.745 1.00 0.00 C ATOM 1220 CG ARG A 79 1.158 -8.579 -19.956 1.00 0.00 C ATOM 1221 CD ARG A 79 1.911 -8.836 -21.264 1.00 0.00 C ATOM 1222 NE ARG A 79 0.940 -8.716 -22.398 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.368 -8.576 -23.625 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.598 -7.377 -24.082 1.00 0.00 N ATOM 1225 NH2 ARG A 79 1.552 -9.637 -24.361 1.00 0.00 N ATOM 0 H ARG A 79 2.605 -6.505 -20.466 1.00 0.00 H new ATOM 0 HA ARG A 79 2.614 -6.844 -17.507 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.888 -9.376 -18.912 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.591 -8.870 -17.847 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.389 -9.339 -19.817 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.650 -7.616 -20.005 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.723 -8.118 -21.382 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.362 -9.828 -21.254 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.062 -8.744 -22.211 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.444 -6.565 -23.484 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.932 -7.251 -25.037 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.362 -10.563 -23.978 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.886 -9.541 -25.320 1.00 0.00 H new ATOM 1239 N LYS A 80 5.109 -6.549 -18.993 1.00 0.00 N ATOM 1240 CA LYS A 80 6.588 -6.682 -19.204 1.00 0.00 C ATOM 1241 C LYS A 80 7.202 -5.287 -19.379 1.00 0.00 C ATOM 1242 O LYS A 80 8.214 -5.081 -20.020 1.00 0.00 O ATOM 1243 CB LYS A 80 6.833 -7.573 -20.452 1.00 0.00 C ATOM 1244 CG LYS A 80 5.945 -7.153 -21.654 1.00 0.00 C ATOM 1245 CD LYS A 80 6.393 -7.951 -22.910 1.00 0.00 C ATOM 1246 CE LYS A 80 5.200 -8.689 -23.551 1.00 0.00 C ATOM 1247 NZ LYS A 80 4.743 -9.801 -22.670 1.00 0.00 N ATOM 0 H LYS A 80 4.722 -5.649 -19.278 1.00 0.00 H new ATOM 0 HA LYS A 80 7.063 -7.152 -18.343 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.883 -7.513 -20.739 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.631 -8.614 -20.199 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.896 -7.351 -21.435 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.036 -6.082 -21.835 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.838 -7.272 -23.637 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.163 -8.670 -22.632 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.381 -7.990 -23.720 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.489 -9.084 -24.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.908 -10.256 -23.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.506 -10.501 -22.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.496 -9.423 -21.733 1.00 0.00 H new ATOM 1261 N LYS A 81 6.514 -4.367 -18.757 1.00 0.00 N ATOM 1262 CA LYS A 81 6.920 -2.940 -18.673 1.00 0.00 C ATOM 1263 C LYS A 81 7.932 -2.682 -17.526 1.00 0.00 C ATOM 1264 O LYS A 81 8.109 -1.545 -17.132 1.00 0.00 O ATOM 1265 CB LYS A 81 5.620 -2.137 -18.469 1.00 0.00 C ATOM 1266 CG LYS A 81 5.548 -0.939 -19.422 1.00 0.00 C ATOM 1267 CD LYS A 81 5.147 -1.372 -20.861 1.00 0.00 C ATOM 1268 CE LYS A 81 4.184 -0.330 -21.466 1.00 0.00 C ATOM 1269 NZ LYS A 81 4.838 1.009 -21.524 1.00 0.00 N ATOM 0 H LYS A 81 5.636 -4.565 -18.277 1.00 0.00 H new ATOM 0 HA LYS A 81 7.438 -2.635 -19.582 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.760 -2.786 -18.633 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.564 -1.788 -17.438 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.824 -0.217 -19.044 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.515 -0.437 -19.449 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.036 -1.465 -21.485 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.670 -2.352 -20.837 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.885 -0.640 -22.467 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.276 -0.273 -20.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.266 1.649 -22.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.917 1.399 -20.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.787 0.914 -21.938 1.00 0.00 H new ATOM 1283 N ILE A 82 8.571 -3.712 -17.016 1.00 0.00 N ATOM 1284 CA ILE A 82 9.929 -3.494 -16.395 1.00 0.00 C ATOM 1285 C ILE A 82 11.132 -3.621 -17.377 1.00 0.00 C ATOM 1286 O ILE A 82 11.209 -4.539 -18.175 1.00 0.00 O ATOM 1287 CB ILE A 82 10.062 -4.501 -15.216 1.00 0.00 C ATOM 1288 CG1 ILE A 82 11.231 -4.046 -14.279 1.00 0.00 C ATOM 1289 CG2 ILE A 82 10.307 -5.941 -15.742 1.00 0.00 C ATOM 1290 CD1 ILE A 82 10.754 -3.872 -12.818 1.00 0.00 C ATOM 0 H ILE A 82 8.226 -4.672 -17.000 1.00 0.00 H new ATOM 0 HA ILE A 82 9.979 -2.459 -16.058 1.00 0.00 H new ATOM 0 HB ILE A 82 9.131 -4.513 -14.650 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.034 -4.782 -14.315 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.644 -3.105 -14.642 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.396 -6.626 -14.899 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.470 -6.246 -16.370 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.227 -5.963 -16.327 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.592 -3.556 -12.197 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.968 -3.117 -12.779 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.365 -4.820 -12.447 1.00 0.00 H new ATOM 1302 N SER A 83 12.025 -2.659 -17.264 1.00 0.00 N ATOM 1303 CA SER A 83 13.287 -2.591 -18.092 1.00 0.00 C ATOM 1304 C SER A 83 14.400 -1.879 -17.266 1.00 0.00 C ATOM 1305 O SER A 83 14.092 -1.271 -16.258 1.00 0.00 O ATOM 1306 CB SER A 83 13.006 -1.784 -19.391 1.00 0.00 C ATOM 1307 OG SER A 83 12.996 -2.748 -20.438 1.00 0.00 O ATOM 0 H SER A 83 11.928 -1.886 -16.605 1.00 0.00 H new ATOM 0 HA SER A 83 13.613 -3.597 -18.354 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.052 -1.260 -19.330 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.774 -1.029 -19.559 1.00 0.00 H new ATOM 0 HG SER A 83 12.821 -2.301 -21.292 1.00 0.00 H new ATOM 1313 N PRO A 84 15.652 -1.954 -17.688 1.00 0.00 N ATOM 1314 CA PRO A 84 16.760 -1.213 -17.016 1.00 0.00 C ATOM 1315 C PRO A 84 16.520 0.314 -16.999 1.00 0.00 C ATOM 1316 O PRO A 84 16.238 0.838 -18.065 1.00 0.00 O ATOM 1317 CB PRO A 84 18.048 -1.583 -17.781 1.00 0.00 C ATOM 1318 CG PRO A 84 17.636 -2.518 -18.951 1.00 0.00 C ATOM 1319 CD PRO A 84 16.112 -2.766 -18.851 1.00 0.00 C ATOM 1320 OXT PRO A 84 16.636 0.866 -15.916 1.00 0.00 O ATOM 0 HA PRO A 84 16.831 -1.496 -15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.541 -0.688 -18.160 1.00 0.00 H new ATOM 0 HB3 PRO A 84 18.757 -2.083 -17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 84 17.886 -2.062 -19.909 1.00 0.00 H new ATOM 0 HG3 PRO A 84 18.180 -3.461 -18.895 1.00 0.00 H new ATOM 0 HD2 PRO A 84 15.604 -2.463 -19.767 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.895 -3.824 -18.701 1.00 0.00 H new TER 1328 PRO A 84