USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 112 LYS NZ :NH3+ -106:sc= -1.73 (180deg=-4.48!) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 88 ASN :FLIP amide:sc= -5.15! C(o=-7.3!,f=-4.7!) USER MOD Set 2.2: A 89 SER OG : rot -61:sc= 0.472 USER MOD Set 3.1: A 63 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.4!) USER MOD Single : A 23 TYR OH : rot -140:sc= -1.5 USER MOD Single : A 28 SER OG : rot 100:sc= -0.118 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.182) USER MOD Single : A 39 THR OG1 : rot 160:sc= -0.351 USER MOD Single : A 43 THR OG1 : rot -123:sc= -0.516 USER MOD Single : A 57 TYR OH : rot -96:sc= 0.0411 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 60 THR OG1 : rot 70:sc= -3.74! USER MOD Single : A 66 ASN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.184 F(o=-4.5!,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -8.92! C(o=-8.9!,f=-10!) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= -0.46 (180deg=-1.13) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00148 USER MOD Single : A 86 THR OG1 : rot 150:sc= 0.706 USER MOD Single : A 95 ASN : amide:sc= -1.47! C(o=-1.5!,f=-3.2!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.16) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 118 SER OG : rot 137:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 2.062 -9.369 -15.099 1.00 0.00 N ATOM 2 CA LEU A 17 2.782 -8.560 -14.086 1.00 0.00 C ATOM 3 C LEU A 17 4.228 -9.032 -13.976 1.00 0.00 C ATOM 4 O LEU A 17 4.690 -9.419 -12.921 1.00 0.00 O ATOM 5 CB LEU A 17 2.093 -8.707 -12.711 1.00 0.00 C ATOM 6 CG LEU A 17 2.278 -7.418 -11.895 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.373 -7.478 -10.672 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.735 -7.298 -11.436 1.00 0.00 C ATOM 0 HA LEU A 17 2.764 -7.514 -14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.031 -8.913 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.516 -9.554 -12.171 1.00 0.00 H new ATOM 0 HG LEU A 17 2.023 -6.556 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.495 -6.568 -10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.335 -7.567 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.640 -8.342 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.860 -6.382 -10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.993 -8.157 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.390 -7.270 -12.307 1.00 0.00 H new ATOM 22 N GLN A 18 4.916 -8.985 -15.071 1.00 0.00 N ATOM 23 CA GLN A 18 6.329 -9.423 -15.051 1.00 0.00 C ATOM 24 C GLN A 18 7.184 -8.368 -14.374 1.00 0.00 C ATOM 25 O GLN A 18 8.312 -8.619 -13.992 1.00 0.00 O ATOM 26 CB GLN A 18 6.811 -9.610 -16.504 1.00 0.00 C ATOM 27 CG GLN A 18 6.459 -8.362 -17.326 1.00 0.00 C ATOM 28 CD GLN A 18 5.055 -8.522 -17.914 1.00 0.00 C ATOM 29 OE1 GLN A 18 4.738 -9.518 -18.533 1.00 0.00 O ATOM 30 NE2 GLN A 18 4.186 -7.564 -17.744 1.00 0.00 N ATOM 0 H GLN A 18 4.566 -8.665 -15.974 1.00 0.00 H new ATOM 0 HA GLN A 18 6.414 -10.361 -14.502 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.888 -9.778 -16.522 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.343 -10.491 -16.943 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.503 -7.474 -16.696 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.187 -8.222 -18.125 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.446 -6.725 -17.225 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.246 -7.654 -18.130 1.00 0.00 H new ATOM 39 N ASP A 19 6.624 -7.199 -14.243 1.00 0.00 N ATOM 40 CA ASP A 19 7.361 -6.102 -13.601 1.00 0.00 C ATOM 41 C ASP A 19 6.439 -4.928 -13.328 1.00 0.00 C ATOM 42 O ASP A 19 6.725 -4.082 -12.505 1.00 0.00 O ATOM 43 CB ASP A 19 8.442 -5.649 -14.563 1.00 0.00 C ATOM 44 CG ASP A 19 9.804 -5.711 -13.873 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.310 -6.817 -13.772 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.264 -4.650 -13.484 1.00 0.00 O ATOM 0 H ASP A 19 5.682 -6.965 -14.558 1.00 0.00 H new ATOM 0 HA ASP A 19 7.781 -6.447 -12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.443 -6.284 -15.449 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.240 -4.632 -14.900 1.00 0.00 H new ATOM 51 N ALA A 20 5.346 -4.901 -14.030 1.00 0.00 N ATOM 52 CA ALA A 20 4.371 -3.788 -13.839 1.00 0.00 C ATOM 53 C ALA A 20 5.069 -2.431 -13.986 1.00 0.00 C ATOM 54 O ALA A 20 6.280 -2.365 -14.070 1.00 0.00 O ATOM 55 CB ALA A 20 3.768 -3.896 -12.429 1.00 0.00 C ATOM 0 H ALA A 20 5.082 -5.597 -14.727 1.00 0.00 H new ATOM 0 HA ALA A 20 3.589 -3.863 -14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.053 -3.088 -12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.260 -4.855 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.563 -3.822 -11.687 1.00 0.00 H new ATOM 61 N GLU A 21 4.288 -1.369 -14.006 1.00 0.00 N ATOM 62 CA GLU A 21 4.895 -0.010 -14.149 1.00 0.00 C ATOM 63 C GLU A 21 4.923 0.737 -12.813 1.00 0.00 C ATOM 64 O GLU A 21 5.935 1.289 -12.431 1.00 0.00 O ATOM 65 CB GLU A 21 4.038 0.799 -15.139 1.00 0.00 C ATOM 66 CG GLU A 21 3.245 -0.160 -16.032 1.00 0.00 C ATOM 67 CD GLU A 21 2.568 0.638 -17.149 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.308 1.256 -17.898 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.349 0.586 -17.190 1.00 0.00 O ATOM 0 H GLU A 21 3.271 -1.388 -13.930 1.00 0.00 H new ATOM 0 HA GLU A 21 5.920 -0.124 -14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.357 1.454 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.675 1.438 -15.750 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.909 -0.913 -16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.497 -0.690 -15.443 1.00 0.00 H new ATOM 76 N TRP A 22 3.810 0.743 -12.131 1.00 0.00 N ATOM 77 CA TRP A 22 3.752 1.452 -10.814 1.00 0.00 C ATOM 78 C TRP A 22 4.639 0.768 -9.797 1.00 0.00 C ATOM 79 O TRP A 22 5.258 1.406 -8.968 1.00 0.00 O ATOM 80 CB TRP A 22 2.313 1.422 -10.317 1.00 0.00 C ATOM 81 CG TRP A 22 1.423 0.939 -11.461 1.00 0.00 C ATOM 82 CD1 TRP A 22 0.906 1.736 -12.374 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.136 -0.317 -11.713 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.279 0.899 -13.215 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.380 -0.431 -12.865 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.486 -1.455 -11.014 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.018 -1.669 -13.306 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.085 -2.685 -11.456 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.337 -2.795 -12.599 1.00 0.00 C ATOM 0 H TRP A 22 2.943 0.292 -12.423 1.00 0.00 H new ATOM 0 HA TRP A 22 4.099 2.477 -10.943 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.221 0.758 -9.458 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.004 2.414 -9.988 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.972 2.812 -12.432 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.228 1.219 -14.041 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.079 -1.373 -10.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.608 -1.759 -14.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.358 -3.572 -10.903 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.025 -3.769 -12.946 1.00 0.00 H new ATOM 100 N TYR A 23 4.683 -0.518 -9.884 1.00 0.00 N ATOM 101 CA TYR A 23 5.521 -1.292 -8.941 1.00 0.00 C ATOM 102 C TYR A 23 6.915 -1.438 -9.517 1.00 0.00 C ATOM 103 O TYR A 23 7.075 -1.777 -10.672 1.00 0.00 O ATOM 104 CB TYR A 23 4.904 -2.697 -8.782 1.00 0.00 C ATOM 105 CG TYR A 23 3.500 -2.653 -8.103 1.00 0.00 C ATOM 106 CD1 TYR A 23 2.877 -1.456 -7.713 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.825 -3.839 -7.894 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.622 -1.480 -7.140 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.572 -3.850 -7.321 1.00 0.00 C ATOM 110 CZ TYR A 23 0.962 -2.677 -6.941 1.00 0.00 C ATOM 111 OH TYR A 23 -0.297 -2.701 -6.377 1.00 0.00 O ATOM 0 H TYR A 23 4.173 -1.074 -10.570 1.00 0.00 H new ATOM 0 HA TYR A 23 5.570 -0.782 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.817 -3.166 -9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.573 -3.320 -8.189 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.382 -0.513 -7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.286 -4.772 -8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.151 -0.554 -6.844 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.063 -4.790 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.363 -3.457 -5.757 1.00 0.00 H new ATOM 121 N TRP A 24 7.905 -1.183 -8.710 1.00 0.00 N ATOM 122 CA TRP A 24 9.282 -1.307 -9.217 1.00 0.00 C ATOM 123 C TRP A 24 9.776 -2.735 -9.018 1.00 0.00 C ATOM 124 O TRP A 24 10.861 -3.087 -9.439 1.00 0.00 O ATOM 125 CB TRP A 24 10.213 -0.360 -8.418 1.00 0.00 C ATOM 126 CG TRP A 24 9.759 1.128 -8.496 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.529 1.563 -8.811 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.536 2.143 -8.177 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.612 2.893 -8.650 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.853 3.342 -8.255 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.871 2.141 -7.803 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.491 4.524 -7.966 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.509 3.329 -7.514 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.820 4.520 -7.595 1.00 0.00 C ATOM 0 H TRP A 24 7.815 -0.898 -7.735 1.00 0.00 H new ATOM 0 HA TRP A 24 9.293 -1.049 -10.276 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.237 -0.675 -7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.230 -0.447 -8.801 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.674 0.980 -9.121 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.822 3.519 -8.807 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.412 1.208 -7.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.952 5.457 -8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.549 3.326 -7.224 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.320 5.450 -7.368 1.00 0.00 H new ATOM 145 N GLY A 25 8.961 -3.532 -8.374 1.00 0.00 N ATOM 146 CA GLY A 25 9.353 -4.951 -8.129 1.00 0.00 C ATOM 147 C GLY A 25 9.869 -5.116 -6.703 1.00 0.00 C ATOM 148 O GLY A 25 11.030 -5.394 -6.488 1.00 0.00 O ATOM 0 H GLY A 25 8.047 -3.263 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.497 -5.606 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.123 -5.251 -8.839 1.00 0.00 H new ATOM 152 N ASP A 26 8.982 -4.954 -5.766 1.00 0.00 N ATOM 153 CA ASP A 26 9.360 -5.089 -4.341 1.00 0.00 C ATOM 154 C ASP A 26 10.604 -4.269 -4.005 1.00 0.00 C ATOM 155 O ASP A 26 11.701 -4.613 -4.402 1.00 0.00 O ATOM 156 CB ASP A 26 9.646 -6.563 -4.069 1.00 0.00 C ATOM 157 CG ASP A 26 9.034 -7.412 -5.185 1.00 0.00 C ATOM 158 OD1 ASP A 26 7.816 -7.449 -5.230 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.820 -7.975 -5.929 1.00 0.00 O ATOM 0 H ASP A 26 8.000 -4.731 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 26 8.542 -4.719 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.721 -6.733 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.229 -6.854 -3.105 1.00 0.00 H new ATOM 164 N ILE A 27 10.407 -3.198 -3.261 1.00 0.00 N ATOM 165 CA ILE A 27 11.565 -2.335 -2.883 1.00 0.00 C ATOM 166 C ILE A 27 11.600 -2.090 -1.366 1.00 0.00 C ATOM 167 O ILE A 27 11.668 -3.026 -0.598 1.00 0.00 O ATOM 168 CB ILE A 27 11.433 -0.997 -3.626 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.008 -0.447 -3.487 1.00 0.00 C ATOM 170 CG2 ILE A 27 11.715 -1.245 -5.115 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.869 0.836 -4.319 1.00 0.00 C ATOM 0 H ILE A 27 9.501 -2.892 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 27 12.493 -2.835 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 27 12.136 -0.279 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.286 -1.191 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.788 -0.239 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.627 -0.307 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.724 -1.641 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.995 -1.963 -5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.856 1.226 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.581 1.580 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.071 0.614 -5.367 1.00 0.00 H new ATOM 183 N SER A 28 11.562 -0.844 -0.955 1.00 0.00 N ATOM 184 CA SER A 28 11.596 -0.567 0.509 1.00 0.00 C ATOM 185 C SER A 28 11.515 0.932 0.804 1.00 0.00 C ATOM 186 O SER A 28 11.660 1.754 -0.079 1.00 0.00 O ATOM 187 CB SER A 28 12.924 -1.101 1.075 1.00 0.00 C ATOM 188 OG SER A 28 13.589 0.057 1.552 1.00 0.00 O ATOM 0 H SER A 28 11.510 -0.024 -1.560 1.00 0.00 H new ATOM 0 HA SER A 28 10.737 -1.055 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.755 -1.821 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.509 -1.608 0.308 1.00 0.00 H new ATOM 0 HG SER A 28 13.474 0.124 2.523 1.00 0.00 H new ATOM 194 N ARG A 29 11.284 1.252 2.054 1.00 0.00 N ATOM 195 CA ARG A 29 11.187 2.682 2.452 1.00 0.00 C ATOM 196 C ARG A 29 12.272 3.500 1.810 1.00 0.00 C ATOM 197 O ARG A 29 12.015 4.530 1.218 1.00 0.00 O ATOM 198 CB ARG A 29 11.358 2.769 3.958 1.00 0.00 C ATOM 199 CG ARG A 29 10.242 1.985 4.636 1.00 0.00 C ATOM 200 CD ARG A 29 10.668 1.665 6.062 1.00 0.00 C ATOM 201 NE ARG A 29 9.478 1.734 6.957 1.00 0.00 N ATOM 202 CZ ARG A 29 9.653 1.853 8.245 1.00 0.00 C ATOM 203 NH1 ARG A 29 10.467 1.033 8.850 1.00 0.00 N ATOM 204 NH2 ARG A 29 9.008 2.791 8.886 1.00 0.00 N ATOM 0 H ARG A 29 11.159 0.581 2.812 1.00 0.00 H new ATOM 0 HA ARG A 29 10.219 3.069 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.329 2.368 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.334 3.810 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.320 2.566 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.038 1.066 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.114 0.671 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.429 2.371 6.394 1.00 0.00 H new ATOM 0 HE ARG A 29 8.537 1.689 6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.955 0.313 8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.616 1.112 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.380 3.415 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.132 2.899 9.893 1.00 0.00 H new ATOM 218 N GLU A 30 13.468 3.035 1.949 1.00 0.00 N ATOM 219 CA GLU A 30 14.606 3.766 1.356 1.00 0.00 C ATOM 220 C GLU A 30 14.270 4.233 -0.047 1.00 0.00 C ATOM 221 O GLU A 30 14.239 5.408 -0.310 1.00 0.00 O ATOM 222 CB GLU A 30 15.816 2.821 1.291 1.00 0.00 C ATOM 223 CG GLU A 30 16.229 2.429 2.712 1.00 0.00 C ATOM 224 CD GLU A 30 17.718 2.077 2.723 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.044 1.080 2.100 1.00 0.00 O ATOM 226 OE2 GLU A 30 18.446 2.826 3.353 1.00 0.00 O ATOM 0 H GLU A 30 13.709 2.179 2.448 1.00 0.00 H new ATOM 0 HA GLU A 30 14.829 4.638 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.566 1.931 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.646 3.309 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.032 3.251 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.639 1.578 3.054 1.00 0.00 H new ATOM 233 N GLU A 31 14.010 3.303 -0.922 1.00 0.00 N ATOM 234 CA GLU A 31 13.674 3.692 -2.314 1.00 0.00 C ATOM 235 C GLU A 31 12.374 4.474 -2.356 1.00 0.00 C ATOM 236 O GLU A 31 12.347 5.612 -2.788 1.00 0.00 O ATOM 237 CB GLU A 31 13.494 2.424 -3.141 1.00 0.00 C ATOM 238 CG GLU A 31 14.734 1.540 -2.990 1.00 0.00 C ATOM 239 CD GLU A 31 15.100 0.953 -4.353 1.00 0.00 C ATOM 240 OE1 GLU A 31 14.300 0.168 -4.835 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.157 1.322 -4.836 1.00 0.00 O ATOM 0 H GLU A 31 14.016 2.300 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 31 14.478 4.313 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.606 1.884 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.341 2.679 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.566 2.124 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.540 0.740 -2.276 1.00 0.00 H new ATOM 248 N VAL A 32 11.307 3.839 -1.917 1.00 0.00 N ATOM 249 CA VAL A 32 9.988 4.530 -1.921 1.00 0.00 C ATOM 250 C VAL A 32 10.143 5.985 -1.511 1.00 0.00 C ATOM 251 O VAL A 32 9.940 6.885 -2.296 1.00 0.00 O ATOM 252 CB VAL A 32 9.068 3.853 -0.888 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.905 4.795 -0.552 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.511 2.560 -1.464 1.00 0.00 C ATOM 0 H VAL A 32 11.299 2.883 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 32 9.572 4.473 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 32 9.640 3.632 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.251 4.319 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.297 5.724 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.339 5.012 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.861 2.085 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.940 2.780 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.333 1.888 -1.710 1.00 0.00 H new ATOM 264 N ASN A 33 10.508 6.172 -0.275 1.00 0.00 N ATOM 265 CA ASN A 33 10.694 7.552 0.253 1.00 0.00 C ATOM 266 C ASN A 33 11.524 8.450 -0.683 1.00 0.00 C ATOM 267 O ASN A 33 10.996 9.355 -1.296 1.00 0.00 O ATOM 268 CB ASN A 33 11.432 7.439 1.597 1.00 0.00 C ATOM 269 CG ASN A 33 11.277 8.750 2.372 1.00 0.00 C ATOM 270 OD1 ASN A 33 12.187 9.551 2.447 1.00 0.00 O ATOM 271 ND2 ASN A 33 10.143 9.006 2.961 1.00 0.00 N ATOM 0 H ASN A 33 10.687 5.425 0.396 1.00 0.00 H new ATOM 0 HA ASN A 33 9.710 8.011 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.028 6.610 2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.488 7.226 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.023 9.875 3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.375 8.337 2.902 1.00 0.00 H new ATOM 278 N GLU A 34 12.812 8.176 -0.761 1.00 0.00 N ATOM 279 CA GLU A 34 13.715 8.999 -1.645 1.00 0.00 C ATOM 280 C GLU A 34 13.015 9.543 -2.882 1.00 0.00 C ATOM 281 O GLU A 34 13.282 10.650 -3.306 1.00 0.00 O ATOM 282 CB GLU A 34 14.897 8.131 -2.101 1.00 0.00 C ATOM 283 CG GLU A 34 16.200 8.789 -1.639 1.00 0.00 C ATOM 284 CD GLU A 34 17.391 7.971 -2.137 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.682 6.984 -1.481 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.944 8.379 -3.145 1.00 0.00 O ATOM 0 H GLU A 34 13.275 7.422 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 34 14.043 9.853 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.812 7.128 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.891 8.026 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.260 9.808 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.220 8.855 -0.551 1.00 0.00 H new ATOM 293 N LYS A 35 12.137 8.771 -3.435 1.00 0.00 N ATOM 294 CA LYS A 35 11.418 9.244 -4.651 1.00 0.00 C ATOM 295 C LYS A 35 10.091 9.882 -4.300 1.00 0.00 C ATOM 296 O LYS A 35 9.669 10.840 -4.919 1.00 0.00 O ATOM 297 CB LYS A 35 11.154 8.042 -5.544 1.00 0.00 C ATOM 298 CG LYS A 35 11.459 8.415 -6.996 1.00 0.00 C ATOM 299 CD LYS A 35 10.493 9.512 -7.459 1.00 0.00 C ATOM 300 CE LYS A 35 10.497 9.565 -8.987 1.00 0.00 C ATOM 301 NZ LYS A 35 11.866 9.869 -9.492 1.00 0.00 N ATOM 0 H LYS A 35 11.882 7.839 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 35 12.035 9.990 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.774 7.201 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.116 7.724 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.489 8.762 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.362 7.538 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.487 9.308 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.793 10.476 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.157 8.612 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.797 10.326 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.819 10.102 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.258 10.678 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.478 9.039 -9.356 1.00 0.00 H new ATOM 315 N LEU A 36 9.464 9.340 -3.319 1.00 0.00 N ATOM 316 CA LEU A 36 8.154 9.879 -2.886 1.00 0.00 C ATOM 317 C LEU A 36 8.319 11.162 -2.070 1.00 0.00 C ATOM 318 O LEU A 36 7.350 11.763 -1.657 1.00 0.00 O ATOM 319 CB LEU A 36 7.488 8.819 -2.001 1.00 0.00 C ATOM 320 CG LEU A 36 5.978 8.961 -2.099 1.00 0.00 C ATOM 321 CD1 LEU A 36 5.470 8.108 -3.263 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.349 8.467 -0.798 1.00 0.00 C ATOM 0 H LEU A 36 9.800 8.537 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 36 7.554 10.112 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.792 7.821 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.810 8.938 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 36 5.711 10.005 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.387 8.205 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.931 8.447 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.729 7.064 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.265 8.565 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.611 7.421 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.721 9.063 0.035 1.00 0.00 H new ATOM 334 N ARG A 37 9.543 11.556 -1.857 1.00 0.00 N ATOM 335 CA ARG A 37 9.786 12.799 -1.068 1.00 0.00 C ATOM 336 C ARG A 37 9.739 14.041 -1.947 1.00 0.00 C ATOM 337 O ARG A 37 9.707 15.148 -1.449 1.00 0.00 O ATOM 338 CB ARG A 37 11.180 12.706 -0.433 1.00 0.00 C ATOM 339 CG ARG A 37 12.231 12.610 -1.542 1.00 0.00 C ATOM 340 CD ARG A 37 12.953 13.954 -1.682 1.00 0.00 C ATOM 341 NE ARG A 37 13.752 13.943 -2.941 1.00 0.00 N ATOM 342 CZ ARG A 37 14.855 14.638 -3.010 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.796 15.878 -3.413 1.00 0.00 N ATOM 344 NH2 ARG A 37 15.982 14.069 -2.674 1.00 0.00 N ATOM 0 H ARG A 37 10.380 11.078 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 37 9.006 12.884 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.369 13.581 0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.239 11.833 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.948 11.823 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.756 12.341 -2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.231 14.770 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.603 14.124 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 37 13.439 13.396 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.898 16.289 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.648 16.436 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.990 13.097 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.854 14.596 -2.722 1.00 0.00 H new ATOM 358 N ASP A 38 9.744 13.836 -3.236 1.00 0.00 N ATOM 359 CA ASP A 38 9.700 14.998 -4.170 1.00 0.00 C ATOM 360 C ASP A 38 8.685 14.758 -5.273 1.00 0.00 C ATOM 361 O ASP A 38 8.844 15.226 -6.383 1.00 0.00 O ATOM 362 CB ASP A 38 11.089 15.167 -4.806 1.00 0.00 C ATOM 363 CG ASP A 38 11.249 16.608 -5.296 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.328 17.469 -4.434 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.283 16.767 -6.505 1.00 0.00 O ATOM 0 H ASP A 38 9.776 12.919 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 38 9.414 15.891 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.866 14.930 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.208 14.473 -5.638 1.00 0.00 H new ATOM 370 N THR A 39 7.652 14.032 -4.943 1.00 0.00 N ATOM 371 CA THR A 39 6.606 13.743 -5.953 1.00 0.00 C ATOM 372 C THR A 39 5.434 14.706 -5.807 1.00 0.00 C ATOM 373 O THR A 39 5.437 15.565 -4.947 1.00 0.00 O ATOM 374 CB THR A 39 6.103 12.318 -5.726 1.00 0.00 C ATOM 375 OG1 THR A 39 6.363 12.041 -4.366 1.00 0.00 O ATOM 376 CG2 THR A 39 6.960 11.306 -6.498 1.00 0.00 C ATOM 0 H THR A 39 7.491 13.629 -4.020 1.00 0.00 H new ATOM 0 HA THR A 39 7.029 13.857 -6.951 1.00 0.00 H new ATOM 0 HB THR A 39 5.059 12.243 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.797 11.298 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.582 10.299 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.914 11.528 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.994 11.371 -6.159 1.00 0.00 H new ATOM 384 N ALA A 40 4.449 14.543 -6.647 1.00 0.00 N ATOM 385 CA ALA A 40 3.269 15.440 -6.570 1.00 0.00 C ATOM 386 C ALA A 40 2.401 15.089 -5.367 1.00 0.00 C ATOM 387 O ALA A 40 2.783 14.291 -4.534 1.00 0.00 O ATOM 388 CB ALA A 40 2.439 15.261 -7.855 1.00 0.00 C ATOM 0 H ALA A 40 4.413 13.832 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 40 3.608 16.470 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.566 15.913 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.048 15.520 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.114 14.224 -7.937 1.00 0.00 H new ATOM 394 N ASP A 41 1.245 15.694 -5.295 1.00 0.00 N ATOM 395 CA ASP A 41 0.341 15.407 -4.155 1.00 0.00 C ATOM 396 C ASP A 41 -0.620 14.275 -4.504 1.00 0.00 C ATOM 397 O ASP A 41 -1.818 14.402 -4.350 1.00 0.00 O ATOM 398 CB ASP A 41 -0.473 16.676 -3.853 1.00 0.00 C ATOM 399 CG ASP A 41 -1.298 16.458 -2.582 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.406 15.305 -2.197 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.774 17.458 -2.068 1.00 0.00 O ATOM 0 H ASP A 41 0.894 16.369 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 41 0.934 15.108 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.195 17.528 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.130 16.909 -4.691 1.00 0.00 H new ATOM 406 N GLY A 42 -0.071 13.187 -4.972 1.00 0.00 N ATOM 407 CA GLY A 42 -0.934 12.026 -5.341 1.00 0.00 C ATOM 408 C GLY A 42 -0.134 11.010 -6.160 1.00 0.00 C ATOM 409 O GLY A 42 -0.367 10.855 -7.336 1.00 0.00 O ATOM 0 H GLY A 42 0.930 13.051 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.323 11.552 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.794 12.371 -5.916 1.00 0.00 H new ATOM 413 N THR A 43 0.791 10.332 -5.508 1.00 0.00 N ATOM 414 CA THR A 43 1.626 9.316 -6.231 1.00 0.00 C ATOM 415 C THR A 43 1.414 7.919 -5.635 1.00 0.00 C ATOM 416 O THR A 43 0.963 7.799 -4.517 1.00 0.00 O ATOM 417 CB THR A 43 3.084 9.728 -6.053 1.00 0.00 C ATOM 418 OG1 THR A 43 3.174 11.014 -6.629 1.00 0.00 O ATOM 419 CG2 THR A 43 4.004 8.865 -6.905 1.00 0.00 C ATOM 0 H THR A 43 1.000 10.439 -4.515 1.00 0.00 H new ATOM 0 HA THR A 43 1.347 9.277 -7.284 1.00 0.00 H new ATOM 0 HB THR A 43 3.363 9.656 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.859 11.011 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.037 9.180 -6.759 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.898 7.821 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.736 8.975 -7.956 1.00 0.00 H new ATOM 427 N PHE A 44 1.750 6.873 -6.381 1.00 0.00 N ATOM 428 CA PHE A 44 1.544 5.506 -5.810 1.00 0.00 C ATOM 429 C PHE A 44 2.518 4.447 -6.343 1.00 0.00 C ATOM 430 O PHE A 44 2.791 4.374 -7.524 1.00 0.00 O ATOM 431 CB PHE A 44 0.107 5.066 -6.141 1.00 0.00 C ATOM 432 CG PHE A 44 -0.055 4.860 -7.648 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.196 5.946 -8.498 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.144 3.583 -8.172 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.429 5.751 -9.848 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.375 3.394 -9.516 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.518 4.474 -10.352 1.00 0.00 C ATOM 0 H PHE A 44 2.142 6.912 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 44 1.727 5.577 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.127 4.141 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.600 5.819 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.124 6.949 -8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.031 2.728 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.541 6.601 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.444 2.393 -9.914 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.700 4.321 -11.405 1.00 0.00 H new ATOM 447 N LEU A 45 3.022 3.638 -5.419 1.00 0.00 N ATOM 448 CA LEU A 45 3.979 2.561 -5.790 1.00 0.00 C ATOM 449 C LEU A 45 3.856 1.402 -4.789 1.00 0.00 C ATOM 450 O LEU A 45 2.960 1.406 -3.965 1.00 0.00 O ATOM 451 CB LEU A 45 5.426 3.109 -5.771 1.00 0.00 C ATOM 452 CG LEU A 45 5.563 4.253 -4.750 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.319 3.714 -3.339 1.00 0.00 C ATOM 454 CD2 LEU A 45 6.980 4.810 -4.812 1.00 0.00 C ATOM 0 H LEU A 45 2.801 3.691 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 45 3.746 2.205 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.120 2.307 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.697 3.467 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 45 4.836 5.031 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.416 4.525 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.315 3.293 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.051 2.939 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.084 5.621 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.692 4.020 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.179 5.188 -5.815 1.00 0.00 H new ATOM 466 N VAL A 46 4.752 0.434 -4.870 1.00 0.00 N ATOM 467 CA VAL A 46 4.675 -0.726 -3.913 1.00 0.00 C ATOM 468 C VAL A 46 5.804 -0.677 -2.885 1.00 0.00 C ATOM 469 O VAL A 46 6.850 -0.105 -3.120 1.00 0.00 O ATOM 470 CB VAL A 46 4.763 -2.063 -4.735 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.864 -2.999 -4.183 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.424 -2.802 -4.637 1.00 0.00 C ATOM 0 H VAL A 46 5.517 0.398 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 46 3.731 -0.672 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 46 5.001 -1.804 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.895 -3.913 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.830 -2.497 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.643 -3.247 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.478 -3.731 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.209 -3.028 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.631 -2.174 -5.043 1.00 0.00 H new ATOM 482 N ARG A 47 5.550 -1.289 -1.761 1.00 0.00 N ATOM 483 CA ARG A 47 6.551 -1.330 -0.671 1.00 0.00 C ATOM 484 C ARG A 47 6.732 -2.777 -0.237 1.00 0.00 C ATOM 485 O ARG A 47 5.868 -3.350 0.399 1.00 0.00 O ATOM 486 CB ARG A 47 6.024 -0.493 0.505 1.00 0.00 C ATOM 487 CG ARG A 47 7.197 -0.092 1.418 1.00 0.00 C ATOM 488 CD ARG A 47 7.771 -1.336 2.106 1.00 0.00 C ATOM 489 NE ARG A 47 8.290 -0.951 3.449 1.00 0.00 N ATOM 490 CZ ARG A 47 7.898 -1.612 4.505 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.512 -2.721 4.819 1.00 0.00 N ATOM 492 NH2 ARG A 47 6.906 -1.143 5.212 1.00 0.00 N ATOM 0 H ARG A 47 4.674 -1.769 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 47 7.507 -0.928 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.518 0.398 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.288 -1.064 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.973 0.401 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.858 0.625 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.001 -2.101 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.571 -1.765 1.502 1.00 0.00 H new ATOM 0 HE ARG A 47 8.947 -0.176 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.284 -3.057 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.220 -3.251 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.450 -0.273 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.587 -1.646 6.040 1.00 0.00 H new ATOM 506 N ASP A 48 7.850 -3.341 -0.587 1.00 0.00 N ATOM 507 CA ASP A 48 8.109 -4.753 -0.214 1.00 0.00 C ATOM 508 C ASP A 48 7.855 -5.042 1.251 1.00 0.00 C ATOM 509 O ASP A 48 8.195 -4.271 2.127 1.00 0.00 O ATOM 510 CB ASP A 48 9.572 -5.091 -0.528 1.00 0.00 C ATOM 511 CG ASP A 48 9.760 -6.614 -0.537 1.00 0.00 C ATOM 512 OD1 ASP A 48 8.782 -7.284 -0.824 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.876 -7.021 -0.255 1.00 0.00 O ATOM 0 H ASP A 48 8.594 -2.885 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 48 7.417 -5.365 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.852 -4.675 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.228 -4.638 0.216 1.00 0.00 H new ATOM 518 N ALA A 49 7.255 -6.174 1.469 1.00 0.00 N ATOM 519 CA ALA A 49 6.935 -6.609 2.835 1.00 0.00 C ATOM 520 C ALA A 49 6.902 -8.135 2.880 1.00 0.00 C ATOM 521 O ALA A 49 6.334 -8.759 2.005 1.00 0.00 O ATOM 522 CB ALA A 49 5.554 -6.069 3.187 1.00 0.00 C ATOM 0 H ALA A 49 6.970 -6.824 0.736 1.00 0.00 H new ATOM 0 HA ALA A 49 7.682 -6.242 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.290 -6.377 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.564 -4.981 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.820 -6.462 2.484 1.00 0.00 H new ATOM 616 N ASP A 56 3.044 -10.730 0.032 1.00 0.00 N ATOM 617 CA ASP A 56 2.123 -9.752 0.580 1.00 0.00 C ATOM 618 C ASP A 56 2.863 -8.460 0.872 1.00 0.00 C ATOM 619 O ASP A 56 3.440 -8.310 1.923 1.00 0.00 O ATOM 620 CB ASP A 56 1.608 -10.317 1.880 1.00 0.00 C ATOM 621 CG ASP A 56 2.700 -11.167 2.529 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.929 -12.246 2.007 1.00 0.00 O ATOM 623 OD2 ASP A 56 3.245 -10.689 3.511 1.00 0.00 O ATOM 0 HA ASP A 56 1.314 -9.548 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.314 -9.509 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.719 -10.922 1.700 1.00 0.00 H new ATOM 628 N TYR A 57 2.837 -7.546 -0.058 1.00 0.00 N ATOM 629 CA TYR A 57 3.547 -6.265 0.176 1.00 0.00 C ATOM 630 C TYR A 57 2.678 -5.228 0.844 1.00 0.00 C ATOM 631 O TYR A 57 1.706 -5.542 1.503 1.00 0.00 O ATOM 632 CB TYR A 57 4.004 -5.707 -1.169 1.00 0.00 C ATOM 633 CG TYR A 57 4.609 -6.829 -1.996 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.618 -7.613 -1.481 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.154 -7.078 -3.267 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.162 -8.624 -2.217 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.698 -8.092 -4.011 1.00 0.00 C ATOM 638 CZ TYR A 57 5.709 -8.878 -3.495 1.00 0.00 C ATOM 639 OH TYR A 57 6.258 -9.897 -4.247 1.00 0.00 O ATOM 0 H TYR A 57 2.361 -7.631 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 57 4.386 -6.475 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.160 -5.264 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.737 -4.915 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.983 -7.425 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.363 -6.471 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.952 -9.229 -1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.333 -8.278 -5.010 1.00 0.00 H new ATOM 0 HH TYR A 57 6.948 -9.531 -4.839 1.00 0.00 H new ATOM 649 N THR A 58 3.059 -3.997 0.650 1.00 0.00 N ATOM 650 CA THR A 58 2.307 -2.885 1.244 1.00 0.00 C ATOM 651 C THR A 58 2.156 -1.741 0.252 1.00 0.00 C ATOM 652 O THR A 58 3.124 -1.115 -0.136 1.00 0.00 O ATOM 653 CB THR A 58 3.102 -2.403 2.443 1.00 0.00 C ATOM 654 OG1 THR A 58 2.557 -3.096 3.548 1.00 0.00 O ATOM 655 CG2 THR A 58 2.823 -0.920 2.741 1.00 0.00 C ATOM 0 H THR A 58 3.871 -3.722 0.097 1.00 0.00 H new ATOM 0 HA THR A 58 1.308 -3.217 1.528 1.00 0.00 H new ATOM 0 HB THR A 58 4.166 -2.555 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.029 -2.832 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.408 -0.606 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.101 -0.317 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.762 -0.785 2.952 1.00 0.00 H new ATOM 663 N LEU A 59 0.946 -1.494 -0.149 1.00 0.00 N ATOM 664 CA LEU A 59 0.705 -0.398 -1.115 1.00 0.00 C ATOM 665 C LEU A 59 0.847 0.953 -0.413 1.00 0.00 C ATOM 666 O LEU A 59 0.293 1.157 0.649 1.00 0.00 O ATOM 667 CB LEU A 59 -0.731 -0.565 -1.658 1.00 0.00 C ATOM 668 CG LEU A 59 -0.810 -0.057 -3.103 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.382 -1.172 -4.056 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.257 0.320 -3.432 1.00 0.00 C ATOM 0 H LEU A 59 0.115 -2.004 0.151 1.00 0.00 H new ATOM 0 HA LEU A 59 1.428 -0.436 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.024 -1.614 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.432 -0.013 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.158 0.809 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.437 -0.813 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.642 -1.470 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.045 -2.029 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.314 0.681 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.896 -0.556 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.592 1.104 -2.752 1.00 0.00 H new ATOM 682 N THR A 60 1.599 1.852 -1.017 1.00 0.00 N ATOM 683 CA THR A 60 1.787 3.195 -0.394 1.00 0.00 C ATOM 684 C THR A 60 1.646 4.303 -1.428 1.00 0.00 C ATOM 685 O THR A 60 1.990 4.126 -2.579 1.00 0.00 O ATOM 686 CB THR A 60 3.205 3.251 0.200 1.00 0.00 C ATOM 687 OG1 THR A 60 3.032 3.074 1.591 1.00 0.00 O ATOM 688 CG2 THR A 60 3.828 4.664 0.068 1.00 0.00 C ATOM 0 H THR A 60 2.082 1.710 -1.904 1.00 0.00 H new ATOM 0 HA THR A 60 1.027 3.341 0.374 1.00 0.00 H new ATOM 0 HB THR A 60 3.834 2.516 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.754 2.152 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.829 4.662 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.887 4.939 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.207 5.387 0.597 1.00 0.00 H new ATOM 696 N LEU A 61 1.142 5.432 -1.002 1.00 0.00 N ATOM 697 CA LEU A 61 0.982 6.552 -1.960 1.00 0.00 C ATOM 698 C LEU A 61 1.077 7.892 -1.288 1.00 0.00 C ATOM 699 O LEU A 61 0.739 8.043 -0.138 1.00 0.00 O ATOM 700 CB LEU A 61 -0.385 6.470 -2.666 1.00 0.00 C ATOM 701 CG LEU A 61 -1.448 5.815 -1.772 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.721 6.652 -1.840 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.750 4.401 -2.290 1.00 0.00 C ATOM 0 H LEU A 61 0.840 5.620 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 61 1.794 6.457 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.711 7.472 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.284 5.899 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.087 5.757 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.487 6.200 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.511 7.662 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.075 6.692 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.504 3.935 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.121 4.460 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.839 3.803 -2.269 1.00 0.00 H new ATOM 715 N ARG A 62 1.538 8.854 -2.035 1.00 0.00 N ATOM 716 CA ARG A 62 1.665 10.200 -1.471 1.00 0.00 C ATOM 717 C ARG A 62 0.295 10.818 -1.385 1.00 0.00 C ATOM 718 O ARG A 62 -0.352 11.019 -2.396 1.00 0.00 O ATOM 719 CB ARG A 62 2.550 11.041 -2.400 1.00 0.00 C ATOM 720 CG ARG A 62 3.026 12.283 -1.646 1.00 0.00 C ATOM 721 CD ARG A 62 3.996 11.878 -0.522 1.00 0.00 C ATOM 722 NE ARG A 62 5.210 12.739 -0.603 1.00 0.00 N ATOM 723 CZ ARG A 62 5.466 13.580 0.359 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.579 13.129 1.577 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.603 14.845 0.070 1.00 0.00 N ATOM 0 H ARG A 62 1.829 8.755 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 62 2.112 10.158 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.405 10.455 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.992 11.332 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.520 12.969 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.171 12.813 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.516 11.992 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.271 10.828 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 62 5.836 12.670 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.467 12.133 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.779 13.773 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.510 15.161 -0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.804 15.518 0.810 1.00 0.00 H new ATOM 739 N LYS A 63 -0.118 11.110 -0.175 1.00 0.00 N ATOM 740 CA LYS A 63 -1.456 11.717 0.034 1.00 0.00 C ATOM 741 C LYS A 63 -1.376 13.056 0.762 1.00 0.00 C ATOM 742 O LYS A 63 -1.142 13.104 1.954 1.00 0.00 O ATOM 743 CB LYS A 63 -2.236 10.738 0.899 1.00 0.00 C ATOM 744 CG LYS A 63 -3.691 11.166 1.008 1.00 0.00 C ATOM 745 CD LYS A 63 -4.445 10.078 1.772 1.00 0.00 C ATOM 746 CE LYS A 63 -5.914 10.482 1.918 1.00 0.00 C ATOM 747 NZ LYS A 63 -6.760 9.719 0.961 1.00 0.00 N ATOM 0 H LYS A 63 0.421 10.951 0.676 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.927 11.904 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.176 9.738 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.791 10.686 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.770 12.121 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.123 11.305 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.369 9.128 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.997 9.932 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.249 10.295 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.023 11.551 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.626 10.258 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.232 9.564 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.014 8.801 1.378 1.00 0.00 H new ATOM 761 N GLY A 64 -1.576 14.118 0.030 1.00 0.00 N ATOM 762 CA GLY A 64 -1.520 15.477 0.657 1.00 0.00 C ATOM 763 C GLY A 64 -0.088 15.860 1.024 1.00 0.00 C ATOM 764 O GLY A 64 0.267 17.024 1.017 1.00 0.00 O ATOM 0 H GLY A 64 -1.775 14.108 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.931 16.215 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.144 15.493 1.551 1.00 0.00 H new ATOM 768 N GLY A 65 0.700 14.885 1.337 1.00 0.00 N ATOM 769 CA GLY A 65 2.114 15.171 1.708 1.00 0.00 C ATOM 770 C GLY A 65 2.631 14.098 2.660 1.00 0.00 C ATOM 771 O GLY A 65 3.808 14.044 2.961 1.00 0.00 O ATOM 0 H GLY A 65 0.434 13.900 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.734 15.203 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.184 16.151 2.180 1.00 0.00 H new ATOM 775 N ASN A 66 1.727 13.267 3.114 1.00 0.00 N ATOM 776 CA ASN A 66 2.113 12.180 4.048 1.00 0.00 C ATOM 777 C ASN A 66 1.879 10.821 3.410 1.00 0.00 C ATOM 778 O ASN A 66 0.752 10.427 3.177 1.00 0.00 O ATOM 779 CB ASN A 66 1.235 12.291 5.299 1.00 0.00 C ATOM 780 CG ASN A 66 1.787 11.364 6.382 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.547 11.773 7.238 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.432 10.108 6.379 1.00 0.00 N ATOM 0 H ASN A 66 0.736 13.299 2.874 1.00 0.00 H new ATOM 0 HA ASN A 66 3.170 12.276 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.220 13.320 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.206 12.021 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.792 9.475 7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.794 9.760 5.663 1.00 0.00 H new ATOM 789 N ASN A 67 2.945 10.125 3.134 1.00 0.00 N ATOM 790 CA ASN A 67 2.801 8.792 2.512 1.00 0.00 C ATOM 791 C ASN A 67 1.726 7.972 3.221 1.00 0.00 C ATOM 792 O ASN A 67 1.876 7.617 4.374 1.00 0.00 O ATOM 793 CB ASN A 67 4.142 8.050 2.635 1.00 0.00 C ATOM 794 CG ASN A 67 5.242 9.036 3.026 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.408 10.114 2.310 1.00 0.00 O flip ATOM 796 ND2 ASN A 67 5.959 8.836 3.986 1.00 0.00 N flip ATOM 0 H ASN A 67 3.904 10.424 3.313 1.00 0.00 H new ATOM 0 HA ASN A 67 2.514 8.919 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.065 7.261 3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.391 7.569 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.834 7.995 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.686 9.509 4.229 1.00 0.00 H new ATOM 803 N LYS A 68 0.660 7.682 2.522 1.00 0.00 N ATOM 804 CA LYS A 68 -0.422 6.891 3.142 1.00 0.00 C ATOM 805 C LYS A 68 -0.136 5.405 2.952 1.00 0.00 C ATOM 806 O LYS A 68 0.012 4.936 1.839 1.00 0.00 O ATOM 807 CB LYS A 68 -1.732 7.247 2.424 1.00 0.00 C ATOM 808 CG LYS A 68 -2.932 6.727 3.238 1.00 0.00 C ATOM 809 CD LYS A 68 -3.813 5.843 2.349 1.00 0.00 C ATOM 810 CE LYS A 68 -5.181 5.668 3.015 1.00 0.00 C ATOM 811 NZ LYS A 68 -6.088 6.793 2.647 1.00 0.00 N ATOM 0 H LYS A 68 0.500 7.961 1.554 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.493 7.109 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.807 8.327 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.741 6.809 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.581 6.159 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.513 7.565 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.929 6.297 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.341 4.872 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.623 4.721 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.063 5.628 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.011 6.659 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.671 7.692 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.215 6.813 1.615 1.00 0.00 H new ATOM 825 N LEU A 69 -0.059 4.691 4.040 1.00 0.00 N ATOM 826 CA LEU A 69 0.219 3.237 3.937 1.00 0.00 C ATOM 827 C LEU A 69 -1.052 2.405 3.827 1.00 0.00 C ATOM 828 O LEU A 69 -2.051 2.689 4.458 1.00 0.00 O ATOM 829 CB LEU A 69 0.981 2.804 5.203 1.00 0.00 C ATOM 830 CG LEU A 69 2.154 1.899 4.807 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.317 2.772 4.326 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.606 1.097 6.028 1.00 0.00 C ATOM 0 H LEU A 69 -0.176 5.050 4.988 1.00 0.00 H new ATOM 0 HA LEU A 69 0.802 3.069 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.348 3.680 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.311 2.274 5.881 1.00 0.00 H new ATOM 0 HG LEU A 69 1.844 1.220 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.156 2.136 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.999 3.359 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.625 3.442 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.440 0.452 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.922 1.781 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.779 0.486 6.388 1.00 0.00 H new ATOM 844 N ILE A 70 -0.972 1.385 3.018 1.00 0.00 N ATOM 845 CA ILE A 70 -2.136 0.491 2.818 1.00 0.00 C ATOM 846 C ILE A 70 -1.653 -0.957 2.754 1.00 0.00 C ATOM 847 O ILE A 70 -0.573 -1.225 2.260 1.00 0.00 O ATOM 848 CB ILE A 70 -2.805 0.861 1.498 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.760 2.025 1.703 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.603 -0.353 0.978 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.651 2.952 0.501 1.00 0.00 C ATOM 0 H ILE A 70 -0.140 1.134 2.484 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.843 0.599 3.641 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.038 1.147 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.782 1.663 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.513 2.561 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.084 -0.095 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.927 -1.194 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.363 -0.629 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.330 3.795 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.628 3.319 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.917 2.407 -0.404 1.00 0.00 H new ATOM 863 N LYS A 71 -2.455 -1.863 3.241 1.00 0.00 N ATOM 864 CA LYS A 71 -2.038 -3.294 3.213 1.00 0.00 C ATOM 865 C LYS A 71 -2.600 -4.052 2.007 1.00 0.00 C ATOM 866 O LYS A 71 -3.672 -3.757 1.517 1.00 0.00 O ATOM 867 CB LYS A 71 -2.568 -3.963 4.495 1.00 0.00 C ATOM 868 CG LYS A 71 -1.510 -4.922 5.049 1.00 0.00 C ATOM 869 CD LYS A 71 -0.504 -4.129 5.885 1.00 0.00 C ATOM 870 CE LYS A 71 0.815 -4.900 5.951 1.00 0.00 C ATOM 871 NZ LYS A 71 1.556 -4.554 7.196 1.00 0.00 N ATOM 0 H LYS A 71 -3.370 -1.679 3.652 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.951 -3.327 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.811 -3.205 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.489 -4.506 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.983 -5.691 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.000 -5.432 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.342 -3.145 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.895 -3.968 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.619 -5.972 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.425 -4.664 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.450 -5.085 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.759 -3.534 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.978 -4.801 8.024 1.00 0.00 H new ATOM 885 N ILE A 72 -1.838 -5.020 1.558 1.00 0.00 N ATOM 886 CA ILE A 72 -2.260 -5.843 0.393 1.00 0.00 C ATOM 887 C ILE A 72 -2.672 -7.232 0.913 1.00 0.00 C ATOM 888 O ILE A 72 -1.876 -7.903 1.541 1.00 0.00 O ATOM 889 CB ILE A 72 -1.032 -6.002 -0.529 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.856 -4.758 -1.428 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.204 -7.273 -1.406 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.794 -4.814 -2.650 1.00 0.00 C ATOM 0 H ILE A 72 -0.934 -5.273 1.956 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.089 -5.381 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.140 -6.104 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.061 -3.857 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.179 -4.693 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.337 -7.386 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.292 -8.149 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.104 -7.177 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.646 -3.925 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.570 -5.703 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.830 -4.854 -2.312 1.00 0.00 H new ATOM 904 N PHE A 73 -3.894 -7.648 0.653 1.00 0.00 N ATOM 905 CA PHE A 73 -4.312 -8.988 1.152 1.00 0.00 C ATOM 906 C PHE A 73 -4.045 -10.050 0.087 1.00 0.00 C ATOM 907 O PHE A 73 -4.609 -10.017 -0.979 1.00 0.00 O ATOM 908 CB PHE A 73 -5.810 -8.932 1.504 1.00 0.00 C ATOM 909 CG PHE A 73 -6.293 -7.466 1.480 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.644 -6.490 2.230 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.363 -7.092 0.688 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.058 -5.175 2.177 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.772 -5.773 0.638 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.119 -4.819 1.381 1.00 0.00 C ATOM 0 H PHE A 73 -4.599 -7.128 0.130 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.740 -9.254 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.384 -9.526 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.979 -9.365 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.810 -6.764 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.883 -7.837 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.547 -4.425 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.607 -5.491 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.440 -3.789 1.339 1.00 0.00 H new ATOM 924 N HIS A 74 -3.179 -10.979 0.419 1.00 0.00 N ATOM 925 CA HIS A 74 -2.829 -12.071 -0.545 1.00 0.00 C ATOM 926 C HIS A 74 -3.009 -13.467 0.082 1.00 0.00 C ATOM 927 O HIS A 74 -3.317 -13.582 1.252 1.00 0.00 O ATOM 928 CB HIS A 74 -1.343 -11.865 -0.869 1.00 0.00 C ATOM 929 CG HIS A 74 -0.797 -13.030 -1.674 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.401 -14.109 -1.195 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.574 -13.118 -3.021 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.053 -14.873 -2.092 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.015 -14.325 -3.305 1.00 0.00 N ATOM 0 H HIS A 74 -2.699 -11.028 1.318 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.475 -12.026 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.214 -10.939 -1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.776 -11.760 0.056 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.439 -14.346 -0.204 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.805 -12.350 -3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.451 -15.858 -1.898 1.00 0.00 H new ATOM 941 N ARG A 75 -2.808 -14.505 -0.719 1.00 0.00 N ATOM 942 CA ARG A 75 -2.962 -15.902 -0.184 1.00 0.00 C ATOM 943 C ARG A 75 -1.775 -16.779 -0.583 1.00 0.00 C ATOM 944 O ARG A 75 -0.837 -16.933 0.174 1.00 0.00 O ATOM 945 CB ARG A 75 -4.248 -16.528 -0.763 1.00 0.00 C ATOM 946 CG ARG A 75 -5.350 -16.478 0.297 1.00 0.00 C ATOM 947 CD ARG A 75 -6.658 -16.975 -0.322 1.00 0.00 C ATOM 948 NE ARG A 75 -7.684 -17.115 0.749 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.909 -16.725 0.516 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.228 -15.480 0.743 1.00 0.00 N ATOM 951 NH2 ARG A 75 -9.772 -17.592 0.060 1.00 0.00 N ATOM 0 H ARG A 75 -2.548 -14.441 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.012 -15.847 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.560 -15.987 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.062 -17.559 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.079 -17.097 1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.471 -15.460 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.003 -16.275 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.499 -17.933 -0.818 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.433 -17.511 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.526 -14.830 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.179 -15.157 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.486 -18.556 -0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.733 -17.305 -0.128 1.00 0.00 H new ATOM 965 N ASP A 76 -1.841 -17.333 -1.772 1.00 0.00 N ATOM 966 CA ASP A 76 -0.734 -18.204 -2.250 1.00 0.00 C ATOM 967 C ASP A 76 -0.310 -17.811 -3.657 1.00 0.00 C ATOM 968 O ASP A 76 0.733 -18.221 -4.129 1.00 0.00 O ATOM 969 CB ASP A 76 -1.237 -19.658 -2.271 1.00 0.00 C ATOM 970 CG ASP A 76 -2.147 -19.865 -3.482 1.00 0.00 C ATOM 971 OD1 ASP A 76 -3.126 -19.140 -3.553 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.813 -20.737 -4.267 1.00 0.00 O ATOM 0 H ASP A 76 -2.615 -17.216 -2.426 1.00 0.00 H new ATOM 0 HA ASP A 76 0.122 -18.095 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.392 -20.346 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.780 -19.879 -1.352 1.00 0.00 H new ATOM 977 N GLY A 77 -1.124 -17.020 -4.307 1.00 0.00 N ATOM 978 CA GLY A 77 -0.770 -16.597 -5.689 1.00 0.00 C ATOM 979 C GLY A 77 -1.718 -15.506 -6.192 1.00 0.00 C ATOM 980 O GLY A 77 -1.459 -14.889 -7.208 1.00 0.00 O ATOM 0 H GLY A 77 -2.005 -16.655 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.256 -16.229 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.813 -17.457 -6.358 1.00 0.00 H new ATOM 984 N LYS A 78 -2.797 -15.290 -5.473 1.00 0.00 N ATOM 985 CA LYS A 78 -3.766 -14.248 -5.897 1.00 0.00 C ATOM 986 C LYS A 78 -3.664 -13.032 -5.008 1.00 0.00 C ATOM 987 O LYS A 78 -2.976 -13.048 -4.019 1.00 0.00 O ATOM 988 CB LYS A 78 -5.184 -14.818 -5.796 1.00 0.00 C ATOM 989 CG LYS A 78 -5.167 -16.075 -4.939 1.00 0.00 C ATOM 990 CD LYS A 78 -6.604 -16.556 -4.737 1.00 0.00 C ATOM 991 CE LYS A 78 -6.725 -18.005 -5.213 1.00 0.00 C ATOM 992 NZ LYS A 78 -5.691 -18.857 -4.564 1.00 0.00 N ATOM 0 H LYS A 78 -3.040 -15.791 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.542 -13.955 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.855 -14.077 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.566 -15.048 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.574 -16.852 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.700 -15.868 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.879 -16.483 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.294 -15.920 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.718 -18.388 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.612 -18.048 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.046 -19.831 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.825 -18.852 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.479 -18.484 -3.617 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.392 -12.012 -5.362 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.358 -10.760 -4.555 1.00 0.00 C ATOM 1008 C TYR A 79 -5.705 -10.416 -3.999 1.00 0.00 C ATOM 1009 O TYR A 79 -6.707 -10.914 -4.442 1.00 0.00 O ATOM 1010 CB TYR A 79 -3.934 -9.619 -5.470 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.446 -9.713 -5.735 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.942 -10.749 -6.483 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.588 -8.752 -5.255 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.604 -10.827 -6.760 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.244 -8.824 -5.529 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.264 -9.865 -6.285 1.00 0.00 C ATOM 1017 OH TYR A 79 1.614 -9.942 -6.559 1.00 0.00 O ATOM 0 H TYR A 79 -5.009 -11.990 -6.174 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.666 -10.909 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.485 -9.667 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.173 -8.661 -5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.610 -11.511 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.972 -7.937 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.225 -11.646 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.421 -8.062 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 79 2.075 -9.182 -6.147 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.693 -9.542 -3.042 1.00 0.00 N ATOM 1028 CA GLY A 80 -6.955 -9.116 -2.406 1.00 0.00 C ATOM 1029 C GLY A 80 -7.014 -7.611 -2.354 1.00 0.00 C ATOM 1030 O GLY A 80 -6.250 -6.982 -1.641 1.00 0.00 O ATOM 0 H GLY A 80 -4.852 -9.101 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.805 -9.504 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.023 -9.527 -1.399 1.00 0.00 H new ATOM 1034 N PHE A 81 -7.908 -7.056 -3.114 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.037 -5.597 -3.128 1.00 0.00 C ATOM 1036 C PHE A 81 -9.467 -5.197 -3.436 1.00 0.00 C ATOM 1037 O PHE A 81 -9.946 -4.177 -2.981 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.109 -5.045 -4.210 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.280 -3.932 -3.598 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.263 -4.224 -2.711 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.593 -2.616 -3.852 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.581 -3.215 -2.081 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.911 -1.604 -3.222 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.905 -1.905 -2.333 1.00 0.00 C ATOM 0 H PHE A 81 -8.552 -7.559 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.768 -5.195 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.462 -5.833 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.689 -4.668 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.003 -5.253 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.380 -2.378 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.789 -3.451 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.164 -0.574 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.370 -1.111 -1.833 1.00 0.00 H new ATOM 1054 N SER A 82 -10.113 -6.016 -4.207 1.00 0.00 N ATOM 1055 CA SER A 82 -11.524 -5.740 -4.584 1.00 0.00 C ATOM 1056 C SER A 82 -12.381 -6.953 -4.308 1.00 0.00 C ATOM 1057 O SER A 82 -13.275 -6.924 -3.484 1.00 0.00 O ATOM 1058 CB SER A 82 -11.572 -5.445 -6.079 1.00 0.00 C ATOM 1059 OG SER A 82 -12.916 -5.715 -6.447 1.00 0.00 O ATOM 0 H SER A 82 -9.722 -6.874 -4.597 1.00 0.00 H new ATOM 0 HA SER A 82 -11.897 -4.895 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.302 -4.410 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.874 -6.075 -6.631 1.00 0.00 H new ATOM 0 HG SER A 82 -13.033 -5.546 -7.405 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.089 -7.997 -5.008 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.856 -9.245 -4.827 1.00 0.00 C ATOM 1067 C ASP A 83 -12.196 -10.101 -3.728 1.00 0.00 C ATOM 1068 O ASP A 83 -11.013 -9.984 -3.507 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.799 -10.024 -6.158 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.222 -10.302 -6.650 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.910 -9.325 -6.897 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.540 -11.475 -6.752 1.00 0.00 O ATOM 0 H ASP A 83 -11.345 -8.041 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.884 -9.021 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.251 -9.449 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.261 -10.962 -6.020 1.00 0.00 H new ATOM 1077 N PRO A 84 -12.974 -10.948 -3.041 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.407 -11.792 -1.988 1.00 0.00 C ATOM 1079 C PRO A 84 -11.358 -12.731 -2.595 1.00 0.00 C ATOM 1080 O PRO A 84 -11.592 -13.909 -2.780 1.00 0.00 O ATOM 1081 CB PRO A 84 -13.614 -12.596 -1.430 1.00 0.00 C ATOM 1082 CG PRO A 84 -14.841 -12.267 -2.333 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.424 -11.113 -3.264 1.00 0.00 C ATOM 0 HA PRO A 84 -11.910 -11.219 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.403 -13.665 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.814 -12.322 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.138 -13.141 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.700 -11.981 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.639 -11.349 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.967 -10.198 -3.026 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.211 -12.172 -2.887 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.118 -12.972 -3.486 1.00 0.00 C ATOM 1093 C LEU A 85 -9.670 -13.979 -4.476 1.00 0.00 C ATOM 1094 O LEU A 85 -9.304 -15.134 -4.472 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.333 -13.693 -2.370 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.417 -12.660 -1.657 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.256 -11.742 -0.787 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.411 -13.371 -0.767 1.00 0.00 C ATOM 0 H LEU A 85 -9.990 -11.188 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.446 -12.303 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.021 -14.144 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.735 -14.501 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.893 -12.085 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.608 -11.020 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.979 -11.213 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.784 -12.333 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.776 -12.634 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.940 -13.955 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.794 -14.034 -1.373 1.00 0.00 H new ATOM 1110 N THR A 86 -10.564 -13.503 -5.308 1.00 0.00 N ATOM 1111 CA THR A 86 -11.174 -14.386 -6.322 1.00 0.00 C ATOM 1112 C THR A 86 -10.493 -14.155 -7.660 1.00 0.00 C ATOM 1113 O THR A 86 -10.503 -15.008 -8.526 1.00 0.00 O ATOM 1114 CB THR A 86 -12.658 -14.032 -6.450 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.923 -13.147 -5.379 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.538 -15.258 -6.162 1.00 0.00 C ATOM 0 H THR A 86 -10.891 -12.537 -5.320 1.00 0.00 H new ATOM 0 HA THR A 86 -11.059 -15.429 -6.027 1.00 0.00 H new ATOM 0 HB THR A 86 -12.861 -13.641 -7.447 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.639 -12.529 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.588 -14.983 -6.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.303 -16.050 -6.874 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.348 -15.613 -5.149 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.907 -12.993 -7.800 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.215 -12.675 -9.064 1.00 0.00 C ATOM 1126 C PHE A 87 -7.768 -13.100 -8.941 1.00 0.00 C ATOM 1127 O PHE A 87 -7.490 -14.186 -8.476 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.307 -11.141 -9.346 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.576 -10.328 -8.259 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.104 -10.218 -6.980 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.382 -9.670 -8.546 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.455 -9.477 -6.017 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.741 -8.930 -7.576 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.276 -8.834 -6.315 1.00 0.00 C ATOM 0 H PHE A 87 -9.883 -12.260 -7.091 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.684 -13.206 -9.892 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.873 -10.921 -10.321 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.353 -10.839 -9.388 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.031 -10.717 -6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.956 -9.740 -9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.873 -9.401 -5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.815 -8.424 -7.808 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.771 -8.254 -5.557 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.865 -12.264 -9.337 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.442 -12.673 -9.222 1.00 0.00 C ATOM 1146 C ASN A 88 -4.467 -11.589 -9.649 1.00 0.00 C ATOM 1147 O ASN A 88 -3.668 -11.131 -8.866 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.218 -13.901 -10.118 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.029 -13.746 -11.404 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -5.421 -13.369 -12.494 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -7.224 -13.968 -11.429 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.037 -11.337 -9.726 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.251 -12.885 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.159 -14.005 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.518 -14.808 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.706 -14.263 -10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.745 -13.859 -12.299 1.00 0.00 H new ATOM 1158 N SER A 89 -4.545 -11.198 -10.871 1.00 0.00 N ATOM 1159 CA SER A 89 -3.610 -10.145 -11.345 1.00 0.00 C ATOM 1160 C SER A 89 -3.968 -8.755 -10.852 1.00 0.00 C ATOM 1161 O SER A 89 -5.115 -8.313 -10.912 1.00 0.00 O ATOM 1162 CB SER A 89 -3.613 -10.129 -12.865 1.00 0.00 C ATOM 1163 OG SER A 89 -4.579 -11.107 -13.227 1.00 0.00 O ATOM 0 H SER A 89 -5.205 -11.551 -11.564 1.00 0.00 H new ATOM 0 HA SER A 89 -2.628 -10.392 -10.942 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.879 -9.145 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.630 -10.374 -13.267 1.00 0.00 H new ATOM 0 HG SER A 89 -4.298 -11.984 -12.891 1.00 0.00 H new ATOM 1169 N VAL A 90 -2.957 -8.072 -10.412 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.166 -6.708 -9.906 1.00 0.00 C ATOM 1171 C VAL A 90 -3.297 -5.778 -11.075 1.00 0.00 C ATOM 1172 O VAL A 90 -4.076 -4.849 -11.060 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.947 -6.301 -9.062 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.149 -4.880 -8.531 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.811 -7.267 -7.882 1.00 0.00 C ATOM 0 H VAL A 90 -1.994 -8.406 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.067 -6.662 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.046 -6.336 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.286 -4.589 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.259 -4.191 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.047 -4.846 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.948 -6.985 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.712 -7.223 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.676 -8.282 -8.256 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.535 -6.060 -12.084 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.583 -5.219 -13.279 1.00 0.00 C ATOM 1187 C VAL A 91 -4.007 -5.109 -13.730 1.00 0.00 C ATOM 1188 O VAL A 91 -4.477 -4.053 -14.075 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.740 -5.896 -14.371 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.213 -4.840 -15.354 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.561 -6.611 -13.705 1.00 0.00 C ATOM 0 H VAL A 91 -1.881 -6.842 -12.124 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.192 -4.222 -13.073 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.352 -6.613 -14.919 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.616 -5.327 -16.125 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.053 -4.323 -15.817 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.595 -4.120 -14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.048 -7.097 -14.468 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.046 -5.885 -13.164 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.937 -7.361 -13.008 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.679 -6.213 -13.708 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.079 -6.205 -14.126 1.00 0.00 C ATOM 1203 C GLU A 92 -6.850 -5.249 -13.235 1.00 0.00 C ATOM 1204 O GLU A 92 -7.618 -4.430 -13.702 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.638 -7.623 -13.954 1.00 0.00 C ATOM 1206 CG GLU A 92 -7.887 -7.773 -14.811 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.507 -8.394 -16.155 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.073 -9.533 -16.122 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.671 -7.693 -17.141 1.00 0.00 O ATOM 0 H GLU A 92 -4.312 -7.119 -13.417 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.169 -5.889 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.890 -8.360 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.876 -7.809 -12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.618 -8.400 -14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.354 -6.801 -14.966 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.622 -5.370 -11.948 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.330 -4.473 -10.992 1.00 0.00 C ATOM 1218 C LEU A 93 -6.790 -3.050 -11.078 1.00 0.00 C ATOM 1219 O LEU A 93 -7.434 -2.168 -11.609 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.084 -5.011 -9.559 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.708 -4.057 -8.509 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.635 -4.857 -7.605 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.606 -3.434 -7.637 1.00 0.00 C ATOM 0 H LEU A 93 -5.983 -6.044 -11.526 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.392 -4.456 -11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.517 -6.006 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.013 -5.109 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.255 -3.269 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.079 -4.195 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.424 -5.312 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.066 -5.638 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.057 -2.766 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.060 -4.224 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.919 -2.870 -8.267 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.620 -2.863 -10.541 1.00 0.00 N ATOM 1236 CA ILE A 94 -4.992 -1.525 -10.558 1.00 0.00 C ATOM 1237 C ILE A 94 -5.253 -0.791 -11.875 1.00 0.00 C ATOM 1238 O ILE A 94 -5.489 0.401 -11.877 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.473 -1.736 -10.328 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.042 -1.083 -9.014 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.636 -1.136 -11.498 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.151 0.445 -9.103 1.00 0.00 C ATOM 0 H ILE A 94 -5.069 -3.591 -10.087 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.421 -0.898 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.291 -2.810 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.666 -1.450 -8.199 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.015 -1.366 -8.782 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.575 -1.300 -11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.916 -1.622 -12.432 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.830 -0.066 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.839 0.888 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.508 0.810 -9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.184 0.725 -9.312 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.207 -1.500 -12.969 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.455 -0.821 -14.263 1.00 0.00 C ATOM 1256 C ASN A 95 -6.887 -0.331 -14.325 1.00 0.00 C ATOM 1257 O ASN A 95 -7.147 0.793 -14.722 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.230 -1.816 -15.410 1.00 0.00 C ATOM 1259 CG ASN A 95 -5.515 -1.118 -16.740 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -5.931 0.023 -16.780 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -5.305 -1.767 -17.853 1.00 0.00 N ATOM 0 H ASN A 95 -5.012 -2.500 -13.020 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.773 0.024 -14.355 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.205 -2.186 -15.391 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.883 -2.681 -15.291 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.490 -1.316 -18.749 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.956 -2.725 -17.827 1.00 0.00 H new ATOM 1268 N HIS A 96 -7.801 -1.176 -13.925 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.214 -0.764 -13.959 1.00 0.00 C ATOM 1270 C HIS A 96 -9.446 0.418 -13.031 1.00 0.00 C ATOM 1271 O HIS A 96 -10.446 1.102 -13.135 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.079 -1.943 -13.499 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.158 -2.209 -14.549 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.120 -1.449 -14.795 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.305 -3.277 -15.414 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -12.858 -1.914 -15.716 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -12.416 -3.085 -16.178 1.00 0.00 N ATOM 0 H HIS A 96 -7.623 -2.120 -13.582 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.478 -0.469 -14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.462 -2.831 -13.360 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.538 -1.720 -12.536 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.644 -4.129 -15.474 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.744 -1.418 -16.084 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.807 -3.679 -16.909 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.514 0.640 -12.133 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.668 1.777 -11.193 1.00 0.00 C ATOM 1287 C TYR A 97 -7.888 2.986 -11.681 1.00 0.00 C ATOM 1288 O TYR A 97 -8.290 4.113 -11.470 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.110 1.364 -9.828 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.266 1.096 -8.845 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.243 2.055 -8.606 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.348 -0.111 -8.185 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.271 1.801 -7.725 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.378 -0.362 -7.305 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.349 0.591 -7.068 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.383 0.336 -6.192 1.00 0.00 O ATOM 0 H TYR A 97 -7.666 0.086 -12.017 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.725 2.036 -11.125 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.496 0.470 -9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.464 2.150 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.196 3.006 -9.115 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.597 -0.868 -8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.022 2.556 -7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.426 -1.313 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.282 -0.565 -5.820 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.782 2.732 -12.322 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.972 3.848 -12.825 1.00 0.00 C ATOM 1308 C ARG A 98 -6.796 4.717 -13.758 1.00 0.00 C ATOM 1309 O ARG A 98 -6.702 5.928 -13.731 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.788 3.258 -13.600 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.636 2.978 -12.631 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.427 2.497 -13.418 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.088 3.525 -14.440 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.824 3.153 -15.661 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.647 2.657 -15.926 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -2.745 3.291 -16.575 1.00 0.00 N ATOM 0 H ARG A 98 -6.414 1.800 -12.513 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.627 4.461 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.089 2.338 -14.100 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.465 3.952 -14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.386 3.881 -12.073 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.933 2.225 -11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.581 2.334 -12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.643 1.543 -13.898 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.063 4.513 -14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.047 2.566 -15.184 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.421 2.360 -16.875 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.653 3.684 -16.329 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.557 3.005 -17.536 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.593 4.081 -14.568 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.435 4.849 -15.512 1.00 0.00 C ATOM 1332 C ASN A 99 -9.572 5.537 -14.773 1.00 0.00 C ATOM 1333 O ASN A 99 -10.129 6.506 -15.247 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.035 3.871 -16.519 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.474 4.162 -17.911 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.487 5.286 -18.377 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -7.974 3.181 -18.609 1.00 0.00 N ATOM 0 H ASN A 99 -7.695 3.067 -14.614 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.825 5.604 -16.008 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.803 2.846 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.121 3.962 -16.527 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.597 3.358 -19.540 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.960 2.237 -18.224 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.893 5.014 -13.616 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.991 5.607 -12.812 1.00 0.00 C ATOM 1346 C GLU A 100 -10.453 6.416 -11.638 1.00 0.00 C ATOM 1347 O GLU A 100 -10.074 7.558 -11.793 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.855 4.459 -12.266 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.508 3.719 -13.434 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.881 3.204 -13.000 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.905 2.102 -12.476 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.830 3.942 -13.214 1.00 0.00 O ATOM 0 H GLU A 100 -9.439 4.202 -13.198 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.569 6.277 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.241 3.772 -11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.620 4.851 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.611 4.386 -14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.878 2.888 -13.751 1.00 0.00 H new ATOM 1359 N SER A 101 -10.427 5.803 -10.485 1.00 0.00 N ATOM 1360 CA SER A 101 -9.921 6.514 -9.282 1.00 0.00 C ATOM 1361 C SER A 101 -10.307 5.762 -8.027 1.00 0.00 C ATOM 1362 O SER A 101 -11.304 5.066 -8.009 1.00 0.00 O ATOM 1363 CB SER A 101 -10.593 7.891 -9.217 1.00 0.00 C ATOM 1364 OG SER A 101 -10.659 8.177 -7.829 1.00 0.00 O ATOM 0 H SER A 101 -10.734 4.843 -10.327 1.00 0.00 H new ATOM 0 HA SER A 101 -8.836 6.595 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.014 8.643 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.585 7.872 -9.668 1.00 0.00 H new ATOM 0 HG SER A 101 -11.079 9.052 -7.695 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.524 5.906 -6.993 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.867 5.194 -5.750 1.00 0.00 C ATOM 1372 C LEU A 102 -10.807 6.053 -4.921 1.00 0.00 C ATOM 1373 O LEU A 102 -10.426 6.622 -3.910 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.585 4.895 -4.942 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.495 4.358 -5.885 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.379 3.706 -5.071 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.079 3.307 -6.824 1.00 0.00 C ATOM 0 H LEU A 102 -8.679 6.477 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.356 4.252 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.237 5.800 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.797 4.164 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.102 5.194 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.610 3.328 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.941 4.443 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.788 2.881 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.297 2.935 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.482 2.480 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.876 3.753 -7.419 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.414 10.470 -7.086 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.194 9.991 -8.484 1.00 0.00 C ATOM 1536 C LYS A 112 -5.840 9.302 -8.614 1.00 0.00 C ATOM 1537 O LYS A 112 -4.813 9.881 -8.321 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.220 11.209 -9.423 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.101 12.298 -8.810 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.583 13.238 -9.919 1.00 0.00 C ATOM 1541 CE LYS A 112 -7.370 13.894 -10.589 1.00 0.00 C ATOM 1542 NZ LYS A 112 -6.844 13.027 -11.683 1.00 0.00 N ATOM 0 HA LYS A 112 -7.976 9.277 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.209 11.586 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.605 10.921 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.954 11.849 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.541 12.857 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.164 12.683 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.241 14.002 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.652 14.867 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.589 14.069 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.958 12.579 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.543 12.292 -11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.664 13.606 -12.528 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.867 8.077 -9.053 1.00 0.00 N ATOM 1557 CA LEU A 113 -4.621 7.321 -9.213 1.00 0.00 C ATOM 1558 C LEU A 113 -4.054 7.410 -10.639 1.00 0.00 C ATOM 1559 O LEU A 113 -4.167 6.469 -11.400 1.00 0.00 O ATOM 1560 CB LEU A 113 -4.996 5.883 -8.935 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.748 5.049 -8.728 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.300 5.132 -7.264 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.073 3.609 -9.057 1.00 0.00 C ATOM 0 H LEU A 113 -6.715 7.571 -9.308 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.855 7.718 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.630 5.829 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.576 5.483 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.950 5.421 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.402 4.530 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.085 6.169 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.094 4.756 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.185 2.994 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.869 3.257 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.400 3.538 -10.094 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.452 8.536 -10.975 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.883 8.678 -12.342 1.00 0.00 C ATOM 1577 C LEU A 114 -1.472 9.277 -12.338 1.00 0.00 C ATOM 1578 O LEU A 114 -1.116 10.023 -13.230 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.803 9.602 -13.125 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.203 8.997 -13.140 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.067 9.666 -12.072 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.818 9.240 -14.495 1.00 0.00 C ATOM 0 H LEU A 114 -3.337 9.345 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.809 7.686 -12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.823 10.591 -12.668 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.435 9.729 -14.143 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.143 7.928 -12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.066 9.230 -12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.618 9.511 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.134 10.735 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.820 8.813 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.876 10.312 -14.681 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.203 8.771 -15.263 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.695 8.942 -11.348 1.00 0.00 N ATOM 1595 CA TYR A 115 0.693 9.491 -11.294 1.00 0.00 C ATOM 1596 C TYR A 115 1.652 8.499 -10.634 1.00 0.00 C ATOM 1597 O TYR A 115 2.128 8.724 -9.539 1.00 0.00 O ATOM 1598 CB TYR A 115 0.683 10.777 -10.460 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.493 11.650 -10.889 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.753 11.430 -10.374 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.311 12.664 -11.806 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.818 12.214 -10.772 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.375 13.447 -12.205 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.638 13.228 -11.691 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.705 14.009 -12.093 1.00 0.00 O ATOM 0 H TYR A 115 -0.953 8.320 -10.582 1.00 0.00 H new ATOM 0 HA TYR A 115 1.028 9.683 -12.313 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.603 10.536 -9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.620 11.318 -10.594 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.908 10.639 -9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.672 12.847 -12.215 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.800 12.032 -10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.219 14.237 -12.925 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.397 14.675 -12.743 1.00 0.00 H new ATOM 1615 N PRO A 116 1.917 7.407 -11.325 1.00 0.00 N ATOM 1616 CA PRO A 116 2.816 6.377 -10.814 1.00 0.00 C ATOM 1617 C PRO A 116 4.274 6.770 -10.993 1.00 0.00 C ATOM 1618 O PRO A 116 4.591 7.624 -11.797 1.00 0.00 O ATOM 1619 CB PRO A 116 2.531 5.155 -11.697 1.00 0.00 C ATOM 1620 CG PRO A 116 1.698 5.653 -12.920 1.00 0.00 C ATOM 1621 CD PRO A 116 1.322 7.117 -12.641 1.00 0.00 C ATOM 0 HA PRO A 116 2.656 6.206 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.462 4.694 -12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.980 4.397 -11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.277 5.572 -13.840 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.804 5.044 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.716 7.781 -13.410 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.241 7.253 -12.626 1.00 0.00 H new ATOM 1629 N VAL A 117 5.134 6.134 -10.234 1.00 0.00 N ATOM 1630 CA VAL A 117 6.582 6.442 -10.336 1.00 0.00 C ATOM 1631 C VAL A 117 7.335 5.163 -10.654 1.00 0.00 C ATOM 1632 O VAL A 117 6.976 4.107 -10.178 1.00 0.00 O ATOM 1633 CB VAL A 117 7.080 6.992 -8.988 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.958 8.517 -8.988 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.227 6.420 -7.866 1.00 0.00 C ATOM 0 H VAL A 117 4.889 5.417 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 117 6.748 7.181 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 117 8.122 6.708 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.310 8.910 -8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.562 8.930 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.915 8.799 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.577 6.807 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.187 6.709 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.305 5.333 -7.868 1.00 0.00 H new ATOM 1645 N SER A 118 8.350 5.257 -11.463 1.00 0.00 N ATOM 1646 CA SER A 118 9.107 4.028 -11.796 1.00 0.00 C ATOM 1647 C SER A 118 10.382 4.338 -12.554 1.00 0.00 C ATOM 1648 O SER A 118 10.942 5.410 -12.432 1.00 0.00 O ATOM 1649 CB SER A 118 8.226 3.144 -12.678 1.00 0.00 C ATOM 1650 OG SER A 118 8.583 1.819 -12.309 1.00 0.00 O ATOM 0 H SER A 118 8.682 6.117 -11.900 1.00 0.00 H new ATOM 0 HA SER A 118 9.376 3.530 -10.864 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.167 3.335 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.411 3.326 -13.736 1.00 0.00 H new ATOM 0 HG SER A 118 7.774 1.272 -12.230 1.00 0.00 H new