USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 908 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 61 THR OG1 : rot 61:sc= 1.2 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -10.4! C(o=-11!,f=-24!) USER MOD Set 1.3: A 108 MET CE :methyl -170:sc= -1.35 (180deg=-1.88) USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0.418 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 42 MET CE :methyl 169:sc= -3.02 (180deg=-2.64!) USER MOD Set 3.2: A 54 ASN : amide:sc= -1.1 K(o=-4.1,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -162:sc= -0.0638 (180deg=-0.853) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -4.13! C(o=-4.1!,f=-6.1!) USER MOD Single : A 68 ASN : amide:sc= -11.1! C(o=-11!,f=-19!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.929 USER MOD Single : A 78 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.5!) USER MOD Single : A 80 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.43) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 SER OG : rot 124:sc= 0.0811 USER MOD Single : A 86 SER OG : rot 73:sc= 0.0105 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 94 SER OG : rot 89:sc= 0.565 USER MOD Single : A 99 CYS SG : rot 153:sc= -7.49! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -120:sc= -0.0505 USER MOD Single : A 111 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.141) USER MOD Single : A 112 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-5!) USER MOD Single : A 113 GLN : amide:sc= -4.64! C(o=-4.6!,f=-4.9!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.175 37.873 22.730 1.00 0.00 N ATOM 2 CA GLY A 1 -21.785 37.496 22.535 1.00 0.00 C ATOM 3 C GLY A 1 -21.354 37.724 21.085 1.00 0.00 C ATOM 4 O GLY A 1 -22.158 38.140 20.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.231 38.649 23.420 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.580 38.185 21.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.710 37.055 23.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.150 38.078 23.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.648 36.447 22.798 1.00 0.00 H new ATOM 8 N SER A 2 -20.085 37.443 20.827 1.00 0.00 N ATOM 9 CA SER A 2 -19.537 37.612 19.492 1.00 0.00 C ATOM 10 C SER A 2 -18.164 36.943 19.401 1.00 0.00 C ATOM 11 O SER A 2 -17.379 36.999 20.346 1.00 0.00 O ATOM 12 CB SER A 2 -19.432 39.093 19.123 1.00 0.00 C ATOM 13 OG SER A 2 -18.600 39.810 20.030 1.00 0.00 O ATOM 0 H SER A 2 -19.420 37.099 21.520 1.00 0.00 H new ATOM 0 HA SER A 2 -20.213 37.136 18.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.034 39.188 18.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.428 39.537 19.116 1.00 0.00 H new ATOM 0 HG SER A 2 -18.557 40.751 19.760 1.00 0.00 H new ATOM 19 N SER A 3 -17.917 36.325 18.255 1.00 0.00 N ATOM 20 CA SER A 3 -16.653 35.646 18.029 1.00 0.00 C ATOM 21 C SER A 3 -16.139 35.954 16.621 1.00 0.00 C ATOM 22 O SER A 3 -16.897 36.404 15.764 1.00 0.00 O ATOM 23 CB SER A 3 -16.796 34.136 18.223 1.00 0.00 C ATOM 24 OG SER A 3 -17.768 33.574 17.346 1.00 0.00 O ATOM 0 H SER A 3 -18.571 36.281 17.473 1.00 0.00 H new ATOM 0 HA SER A 3 -15.933 36.012 18.761 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.833 33.656 18.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.076 33.928 19.256 1.00 0.00 H new ATOM 0 HG SER A 3 -17.828 32.608 17.500 1.00 0.00 H new ATOM 30 N GLY A 4 -14.853 35.698 16.425 1.00 0.00 N ATOM 31 CA GLY A 4 -14.229 35.941 15.136 1.00 0.00 C ATOM 32 C GLY A 4 -13.937 34.626 14.411 1.00 0.00 C ATOM 33 O GLY A 4 -13.578 33.632 15.041 1.00 0.00 O ATOM 0 H GLY A 4 -14.227 35.325 17.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.883 36.561 14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.302 36.497 15.276 1.00 0.00 H new ATOM 37 N SER A 5 -14.102 34.663 13.097 1.00 0.00 N ATOM 38 CA SER A 5 -13.861 33.486 12.279 1.00 0.00 C ATOM 39 C SER A 5 -13.253 33.898 10.937 1.00 0.00 C ATOM 40 O SER A 5 -13.602 34.942 10.387 1.00 0.00 O ATOM 41 CB SER A 5 -15.151 32.695 12.058 1.00 0.00 C ATOM 42 OG SER A 5 -15.059 31.368 12.569 1.00 0.00 O ATOM 0 H SER A 5 -14.400 35.489 12.578 1.00 0.00 H new ATOM 0 HA SER A 5 -13.158 32.841 12.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.980 33.212 12.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.375 32.658 10.992 1.00 0.00 H new ATOM 0 HG SER A 5 -15.903 30.897 12.410 1.00 0.00 H new ATOM 48 N SER A 6 -12.355 33.056 10.447 1.00 0.00 N ATOM 49 CA SER A 6 -11.696 33.319 9.179 1.00 0.00 C ATOM 50 C SER A 6 -12.248 32.386 8.099 1.00 0.00 C ATOM 51 O SER A 6 -12.215 31.166 8.251 1.00 0.00 O ATOM 52 CB SER A 6 -10.180 33.151 9.300 1.00 0.00 C ATOM 53 OG SER A 6 -9.473 34.176 8.609 1.00 0.00 O ATOM 0 H SER A 6 -12.068 32.191 10.905 1.00 0.00 H new ATOM 0 HA SER A 6 -11.899 34.352 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.897 33.162 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.890 32.179 8.902 1.00 0.00 H new ATOM 0 HG SER A 6 -8.509 34.034 8.712 1.00 0.00 H new ATOM 59 N GLY A 7 -12.744 32.996 7.032 1.00 0.00 N ATOM 60 CA GLY A 7 -13.302 32.235 5.927 1.00 0.00 C ATOM 61 C GLY A 7 -12.268 32.042 4.816 1.00 0.00 C ATOM 62 O GLY A 7 -12.218 32.823 3.867 1.00 0.00 O ATOM 0 H GLY A 7 -12.771 34.008 6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.642 31.263 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.176 32.752 5.530 1.00 0.00 H new ATOM 66 N THR A 8 -11.468 30.998 4.971 1.00 0.00 N ATOM 67 CA THR A 8 -10.437 30.693 3.993 1.00 0.00 C ATOM 68 C THR A 8 -10.749 29.373 3.284 1.00 0.00 C ATOM 69 O THR A 8 -11.265 28.441 3.899 1.00 0.00 O ATOM 70 CB THR A 8 -9.087 30.692 4.713 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.144 30.417 3.681 1.00 0.00 O ATOM 72 CG2 THR A 8 -8.939 29.513 5.677 1.00 0.00 C ATOM 0 H THR A 8 -11.513 30.352 5.759 1.00 0.00 H new ATOM 0 HA THR A 8 -10.401 31.448 3.207 1.00 0.00 H new ATOM 0 HB THR A 8 -8.967 31.626 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.240 30.400 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.964 29.559 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.723 29.561 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.025 28.578 5.124 1.00 0.00 H new ATOM 80 N GLY A 9 -10.424 29.336 2.001 1.00 0.00 N ATOM 81 CA GLY A 9 -10.663 28.147 1.202 1.00 0.00 C ATOM 82 C GLY A 9 -10.186 26.890 1.933 1.00 0.00 C ATOM 83 O GLY A 9 -9.265 26.953 2.746 1.00 0.00 O ATOM 0 H GLY A 9 -9.997 30.111 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.727 28.061 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.144 28.236 0.247 1.00 0.00 H new ATOM 87 N ALA A 10 -10.834 25.779 1.617 1.00 0.00 N ATOM 88 CA ALA A 10 -10.488 24.510 2.234 1.00 0.00 C ATOM 89 C ALA A 10 -9.400 23.824 1.405 1.00 0.00 C ATOM 90 O ALA A 10 -8.212 24.051 1.624 1.00 0.00 O ATOM 91 CB ALA A 10 -11.745 23.649 2.373 1.00 0.00 C ATOM 0 H ALA A 10 -11.597 25.731 0.942 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.089 24.667 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.485 22.697 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.474 24.168 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.173 23.468 1.387 1.00 0.00 H new ATOM 97 N LEU A 11 -9.847 22.999 0.469 1.00 0.00 N ATOM 98 CA LEU A 11 -8.927 22.279 -0.395 1.00 0.00 C ATOM 99 C LEU A 11 -9.156 22.706 -1.846 1.00 0.00 C ATOM 100 O LEU A 11 -10.292 22.729 -2.318 1.00 0.00 O ATOM 101 CB LEU A 11 -9.050 20.770 -0.170 1.00 0.00 C ATOM 102 CG LEU A 11 -8.990 20.302 1.285 1.00 0.00 C ATOM 103 CD1 LEU A 11 -9.803 19.020 1.482 1.00 0.00 C ATOM 104 CD2 LEU A 11 -7.541 20.138 1.749 1.00 0.00 C ATOM 0 H LEU A 11 -10.834 22.813 0.290 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.896 22.531 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.994 20.434 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.253 20.274 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.443 21.071 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.744 18.708 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.844 19.205 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.401 18.233 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.527 19.805 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.040 19.399 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.023 21.093 1.668 1.00 0.00 H new ATOM 116 N MET A 12 -8.059 23.032 -2.514 1.00 0.00 N ATOM 117 CA MET A 12 -8.127 23.457 -3.902 1.00 0.00 C ATOM 118 C MET A 12 -6.730 23.752 -4.453 1.00 0.00 C ATOM 119 O MET A 12 -6.088 24.717 -4.042 1.00 0.00 O ATOM 120 CB MET A 12 -8.995 24.712 -4.010 1.00 0.00 C ATOM 121 CG MET A 12 -9.616 24.830 -5.404 1.00 0.00 C ATOM 122 SD MET A 12 -10.486 26.382 -5.554 1.00 0.00 S ATOM 123 CE MET A 12 -9.523 27.153 -6.845 1.00 0.00 C ATOM 0 H MET A 12 -7.118 23.010 -2.120 1.00 0.00 H new ATOM 0 HA MET A 12 -8.566 22.650 -4.489 1.00 0.00 H new ATOM 0 HB2 MET A 12 -9.783 24.679 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 12 -8.392 25.595 -3.801 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.838 24.765 -6.165 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.302 24.001 -5.577 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.933 28.139 -7.065 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.489 27.255 -6.516 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.559 26.537 -7.743 1.00 0.00 H new ATOM 133 N ALA A 13 -6.302 22.903 -5.376 1.00 0.00 N ATOM 134 CA ALA A 13 -4.993 23.061 -5.988 1.00 0.00 C ATOM 135 C ALA A 13 -5.157 23.671 -7.382 1.00 0.00 C ATOM 136 O ALA A 13 -4.765 24.814 -7.613 1.00 0.00 O ATOM 137 CB ALA A 13 -4.280 21.709 -6.024 1.00 0.00 C ATOM 0 H ALA A 13 -6.838 22.104 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.374 23.740 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.298 21.827 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.162 21.332 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.870 21.002 -6.607 1.00 0.00 H new ATOM 143 N SER A 14 -5.738 22.882 -8.274 1.00 0.00 N ATOM 144 CA SER A 14 -5.959 23.329 -9.638 1.00 0.00 C ATOM 145 C SER A 14 -6.583 22.203 -10.464 1.00 0.00 C ATOM 146 O SER A 14 -7.608 22.400 -11.114 1.00 0.00 O ATOM 147 CB SER A 14 -4.652 23.799 -10.282 1.00 0.00 C ATOM 148 OG SER A 14 -4.722 25.159 -10.701 1.00 0.00 O ATOM 0 H SER A 14 -6.063 21.935 -8.078 1.00 0.00 H new ATOM 0 HA SER A 14 -6.646 24.175 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.834 23.680 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.423 23.167 -11.140 1.00 0.00 H new ATOM 0 HG SER A 14 -3.868 25.421 -11.105 1.00 0.00 H new ATOM 154 N SER A 15 -5.937 21.047 -10.412 1.00 0.00 N ATOM 155 CA SER A 15 -6.416 19.889 -11.147 1.00 0.00 C ATOM 156 C SER A 15 -7.857 19.570 -10.741 1.00 0.00 C ATOM 157 O SER A 15 -8.106 19.126 -9.622 1.00 0.00 O ATOM 158 CB SER A 15 -5.517 18.674 -10.909 1.00 0.00 C ATOM 159 OG SER A 15 -5.963 17.529 -11.630 1.00 0.00 O ATOM 0 H SER A 15 -5.086 20.888 -9.872 1.00 0.00 H new ATOM 0 HA SER A 15 -6.388 20.125 -12.211 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.496 18.915 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.493 18.444 -9.844 1.00 0.00 H new ATOM 0 HG SER A 15 -5.362 16.776 -11.452 1.00 0.00 H new ATOM 165 N PRO A 16 -8.791 19.816 -11.698 1.00 0.00 N ATOM 166 CA PRO A 16 -10.200 19.560 -11.452 1.00 0.00 C ATOM 167 C PRO A 16 -10.501 18.060 -11.494 1.00 0.00 C ATOM 168 O PRO A 16 -10.504 17.394 -10.460 1.00 0.00 O ATOM 169 CB PRO A 16 -10.936 20.344 -12.526 1.00 0.00 C ATOM 170 CG PRO A 16 -9.910 20.631 -13.609 1.00 0.00 C ATOM 171 CD PRO A 16 -8.532 20.342 -13.035 1.00 0.00 C ATOM 0 HA PRO A 16 -10.518 19.877 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.773 19.771 -12.923 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.347 21.269 -12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.096 20.010 -14.485 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.978 21.669 -13.934 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.992 19.620 -13.647 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.923 21.245 -12.994 1.00 0.00 H new ATOM 179 N GLN A 17 -10.746 17.573 -12.702 1.00 0.00 N ATOM 180 CA GLN A 17 -11.047 16.164 -12.893 1.00 0.00 C ATOM 181 C GLN A 17 -10.199 15.590 -14.029 1.00 0.00 C ATOM 182 O GLN A 17 -10.731 14.999 -14.968 1.00 0.00 O ATOM 183 CB GLN A 17 -12.539 15.954 -13.161 1.00 0.00 C ATOM 184 CG GLN A 17 -13.120 17.116 -13.968 1.00 0.00 C ATOM 185 CD GLN A 17 -14.498 16.759 -14.529 1.00 0.00 C ATOM 186 OE1 GLN A 17 -15.486 16.682 -13.816 1.00 0.00 O ATOM 187 NE2 GLN A 17 -14.510 16.546 -15.842 1.00 0.00 N ATOM 0 H GLN A 17 -10.742 18.129 -13.557 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.798 15.631 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.687 15.020 -13.703 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.072 15.861 -12.215 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.199 18.000 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.445 17.369 -14.786 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.647 16.627 -16.380 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.382 16.302 -16.311 1.00 0.00 H new ATOM 196 N ASP A 18 -8.894 15.782 -13.907 1.00 0.00 N ATOM 197 CA ASP A 18 -7.967 15.291 -14.912 1.00 0.00 C ATOM 198 C ASP A 18 -6.811 14.565 -14.222 1.00 0.00 C ATOM 199 O ASP A 18 -5.845 15.195 -13.794 1.00 0.00 O ATOM 200 CB ASP A 18 -7.381 16.442 -15.731 1.00 0.00 C ATOM 201 CG ASP A 18 -7.757 16.438 -17.214 1.00 0.00 C ATOM 202 OD1 ASP A 18 -8.923 16.783 -17.505 1.00 0.00 O ATOM 203 OD2 ASP A 18 -6.871 16.089 -18.024 1.00 0.00 O ATOM 0 H ASP A 18 -8.456 16.271 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.513 14.619 -15.574 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.708 17.384 -15.291 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.295 16.411 -15.647 1.00 0.00 H new ATOM 208 N ILE A 19 -6.947 13.250 -14.135 1.00 0.00 N ATOM 209 CA ILE A 19 -5.925 12.432 -13.504 1.00 0.00 C ATOM 210 C ILE A 19 -4.552 12.828 -14.050 1.00 0.00 C ATOM 211 O ILE A 19 -4.285 12.674 -15.241 1.00 0.00 O ATOM 212 CB ILE A 19 -6.248 10.946 -13.673 1.00 0.00 C ATOM 213 CG1 ILE A 19 -7.619 10.613 -13.081 1.00 0.00 C ATOM 214 CG2 ILE A 19 -5.141 10.073 -13.080 1.00 0.00 C ATOM 215 CD1 ILE A 19 -7.698 9.140 -12.676 1.00 0.00 C ATOM 0 H ILE A 19 -7.749 12.731 -14.491 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.905 12.610 -12.429 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.295 10.726 -14.739 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.807 11.243 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.398 10.836 -13.810 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.396 9.022 -13.214 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.199 10.285 -13.587 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.038 10.289 -12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.683 8.930 -12.258 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.534 8.512 -13.552 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.934 8.927 -11.929 1.00 0.00 H new ATOM 227 N LYS A 20 -3.716 13.331 -13.153 1.00 0.00 N ATOM 228 CA LYS A 20 -2.377 13.750 -13.530 1.00 0.00 C ATOM 229 C LYS A 20 -1.484 12.517 -13.679 1.00 0.00 C ATOM 230 O LYS A 20 -0.883 12.305 -14.731 1.00 0.00 O ATOM 231 CB LYS A 20 -1.839 14.783 -12.536 1.00 0.00 C ATOM 232 CG LYS A 20 -0.340 14.588 -12.301 1.00 0.00 C ATOM 233 CD LYS A 20 0.320 15.896 -11.862 1.00 0.00 C ATOM 234 CE LYS A 20 1.743 16.004 -12.415 1.00 0.00 C ATOM 235 NZ LYS A 20 1.731 16.628 -13.757 1.00 0.00 N ATOM 0 H LYS A 20 -3.940 13.458 -12.166 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.393 14.251 -14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.024 15.788 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.374 14.696 -11.590 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.184 13.824 -11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.131 14.227 -13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.274 16.742 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.344 15.948 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.359 16.596 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.194 15.013 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.704 16.694 -14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.160 16.048 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.320 17.581 -13.693 1.00 0.00 H new ATOM 249 N PHE A 21 -1.425 11.736 -12.610 1.00 0.00 N ATOM 250 CA PHE A 21 -0.615 10.530 -12.608 1.00 0.00 C ATOM 251 C PHE A 21 -1.442 9.314 -13.031 1.00 0.00 C ATOM 252 O PHE A 21 -1.589 8.362 -12.266 1.00 0.00 O ATOM 253 CB PHE A 21 -0.123 10.323 -11.175 1.00 0.00 C ATOM 254 CG PHE A 21 0.832 11.412 -10.681 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.111 11.455 -11.142 1.00 0.00 C ATOM 256 CD2 PHE A 21 0.402 12.338 -9.783 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.997 12.466 -10.684 1.00 0.00 C ATOM 258 CE2 PHE A 21 1.288 13.349 -9.325 1.00 0.00 C ATOM 259 CZ PHE A 21 2.567 13.391 -9.785 1.00 0.00 C ATOM 0 H PHE A 21 -1.925 11.915 -11.739 1.00 0.00 H new ATOM 0 HA PHE A 21 0.212 10.636 -13.310 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.985 10.280 -10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.379 9.357 -11.110 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.453 10.720 -11.856 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.614 12.305 -9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.013 12.500 -11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.946 14.084 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.241 14.159 -9.436 1.00 0.00 H new ATOM 269 N GLN A 22 -1.961 9.386 -14.248 1.00 0.00 N ATOM 270 CA GLN A 22 -2.769 8.303 -14.782 1.00 0.00 C ATOM 271 C GLN A 22 -1.872 7.177 -15.300 1.00 0.00 C ATOM 272 O GLN A 22 -2.077 6.674 -16.404 1.00 0.00 O ATOM 273 CB GLN A 22 -3.706 8.808 -15.881 1.00 0.00 C ATOM 274 CG GLN A 22 -2.913 9.306 -17.091 1.00 0.00 C ATOM 275 CD GLN A 22 -3.843 9.912 -18.144 1.00 0.00 C ATOM 276 OE1 GLN A 22 -5.004 9.558 -18.262 1.00 0.00 O ATOM 277 NE2 GLN A 22 -3.268 10.843 -18.901 1.00 0.00 N ATOM 0 H GLN A 22 -1.838 10.178 -14.879 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.388 7.907 -13.977 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.379 8.007 -16.187 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.327 9.615 -15.492 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.185 10.052 -16.771 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.352 8.480 -17.528 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.291 11.092 -18.749 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.805 11.308 -19.633 1.00 0.00 H new ATOM 286 N ASP A 23 -0.898 6.813 -14.479 1.00 0.00 N ATOM 287 CA ASP A 23 0.030 5.756 -14.841 1.00 0.00 C ATOM 288 C ASP A 23 -0.127 4.589 -13.865 1.00 0.00 C ATOM 289 O ASP A 23 -0.254 3.439 -14.282 1.00 0.00 O ATOM 290 CB ASP A 23 1.478 6.245 -14.764 1.00 0.00 C ATOM 291 CG ASP A 23 1.908 7.173 -15.901 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.547 8.368 -15.826 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.589 6.668 -16.820 1.00 0.00 O ATOM 0 H ASP A 23 -0.732 7.232 -13.564 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.193 5.446 -15.862 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.620 6.766 -13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.138 5.378 -14.753 1.00 0.00 H new ATOM 298 N LEU A 24 -0.113 4.925 -12.583 1.00 0.00 N ATOM 299 CA LEU A 24 -0.253 3.919 -11.544 1.00 0.00 C ATOM 300 C LEU A 24 -1.674 3.969 -10.980 1.00 0.00 C ATOM 301 O LEU A 24 -2.416 4.915 -11.238 1.00 0.00 O ATOM 302 CB LEU A 24 0.837 4.089 -10.483 1.00 0.00 C ATOM 303 CG LEU A 24 1.015 5.503 -9.926 1.00 0.00 C ATOM 304 CD1 LEU A 24 0.630 5.563 -8.447 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.437 6.013 -10.170 1.00 0.00 C ATOM 0 H LEU A 24 -0.007 5.880 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.109 2.921 -11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.616 3.418 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.786 3.766 -10.910 1.00 0.00 H new ATOM 0 HG LEU A 24 0.338 6.169 -10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.766 6.579 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.414 5.271 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.263 4.882 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.537 7.020 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.150 5.351 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.638 6.032 -11.241 1.00 0.00 H new ATOM 317 N VAL A 25 -2.011 2.937 -10.219 1.00 0.00 N ATOM 318 CA VAL A 25 -3.330 2.852 -9.616 1.00 0.00 C ATOM 319 C VAL A 25 -3.193 2.391 -8.163 1.00 0.00 C ATOM 320 O VAL A 25 -3.123 1.194 -7.892 1.00 0.00 O ATOM 321 CB VAL A 25 -4.229 1.937 -10.451 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.658 1.925 -9.904 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.209 2.346 -11.925 1.00 0.00 C ATOM 0 H VAL A 25 -1.393 2.153 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.808 3.832 -9.603 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.835 0.923 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.276 1.267 -10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.651 1.564 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.066 2.935 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.856 1.680 -12.496 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.566 3.371 -12.023 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.191 2.279 -12.307 1.00 0.00 H new ATOM 333 N VAL A 26 -3.158 3.367 -7.268 1.00 0.00 N ATOM 334 CA VAL A 26 -3.031 3.077 -5.849 1.00 0.00 C ATOM 335 C VAL A 26 -4.397 2.676 -5.290 1.00 0.00 C ATOM 336 O VAL A 26 -5.362 3.433 -5.397 1.00 0.00 O ATOM 337 CB VAL A 26 -2.416 4.275 -5.123 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.209 3.969 -3.639 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.103 4.701 -5.783 1.00 0.00 C ATOM 0 H VAL A 26 -3.215 4.359 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.356 2.236 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.115 5.108 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.771 4.837 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.169 3.736 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.540 3.115 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.687 5.554 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.395 3.873 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.291 4.980 -6.820 1.00 0.00 H new ATOM 349 N PHE A 27 -4.437 1.488 -4.706 1.00 0.00 N ATOM 350 CA PHE A 27 -5.669 0.978 -4.130 1.00 0.00 C ATOM 351 C PHE A 27 -5.506 0.715 -2.631 1.00 0.00 C ATOM 352 O PHE A 27 -4.799 -0.209 -2.233 1.00 0.00 O ATOM 353 CB PHE A 27 -5.981 -0.343 -4.837 1.00 0.00 C ATOM 354 CG PHE A 27 -7.150 -1.116 -4.224 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.429 -0.758 -4.516 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.911 -2.161 -3.388 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.515 -1.475 -3.947 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.996 -2.879 -2.819 1.00 0.00 C ATOM 359 CZ PHE A 27 -9.276 -2.521 -3.111 1.00 0.00 C ATOM 0 H PHE A 27 -3.635 0.863 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.469 1.707 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.203 -0.139 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.092 -0.973 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.619 0.072 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.895 -2.445 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.531 -1.190 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.805 -3.709 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.102 -3.067 -2.679 1.00 0.00 H new ATOM 369 N ILE A 28 -6.173 1.544 -1.842 1.00 0.00 N ATOM 370 CA ILE A 28 -6.111 1.412 -0.396 1.00 0.00 C ATOM 371 C ILE A 28 -6.905 0.177 0.034 1.00 0.00 C ATOM 372 O ILE A 28 -7.834 -0.240 -0.657 1.00 0.00 O ATOM 373 CB ILE A 28 -6.572 2.705 0.280 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.424 3.712 0.377 1.00 0.00 C ATOM 375 CG2 ILE A 28 -7.198 2.417 1.646 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.948 5.111 0.707 1.00 0.00 C ATOM 0 H ILE A 28 -6.759 2.309 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.082 1.259 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.346 3.157 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.720 3.393 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.877 3.738 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.517 3.353 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.060 1.762 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.463 1.930 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.112 5.807 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.633 5.437 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.473 5.087 1.662 1.00 0.00 H new ATOM 388 N LEU A 29 -6.510 -0.374 1.173 1.00 0.00 N ATOM 389 CA LEU A 29 -7.173 -1.553 1.703 1.00 0.00 C ATOM 390 C LEU A 29 -7.960 -1.170 2.958 1.00 0.00 C ATOM 391 O LEU A 29 -7.384 -1.029 4.036 1.00 0.00 O ATOM 392 CB LEU A 29 -6.163 -2.679 1.930 1.00 0.00 C ATOM 393 CG LEU A 29 -6.742 -4.015 2.401 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.407 -4.763 1.243 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.673 -4.863 3.092 1.00 0.00 C ATOM 0 H LEU A 29 -5.739 -0.025 1.743 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.892 -1.942 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.622 -2.848 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.433 -2.342 2.666 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.517 -3.810 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.810 -5.709 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.215 -4.156 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.670 -4.957 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.111 -5.807 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.859 -5.062 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.286 -4.326 3.958 1.00 0.00 H new ATOM 407 N GLU A 30 -9.262 -1.012 2.776 1.00 0.00 N ATOM 408 CA GLU A 30 -10.133 -0.648 3.881 1.00 0.00 C ATOM 409 C GLU A 30 -9.713 -1.385 5.154 1.00 0.00 C ATOM 410 O GLU A 30 -9.491 -0.763 6.191 1.00 0.00 O ATOM 411 CB GLU A 30 -11.598 -0.931 3.541 1.00 0.00 C ATOM 412 CG GLU A 30 -12.529 -0.367 4.616 1.00 0.00 C ATOM 413 CD GLU A 30 -13.262 -1.491 5.351 1.00 0.00 C ATOM 414 OE1 GLU A 30 -14.257 -1.988 4.780 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.812 -1.827 6.467 1.00 0.00 O ATOM 0 H GLU A 30 -9.735 -1.129 1.880 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.036 0.423 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.843 -0.490 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.753 -2.006 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.952 0.223 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.254 0.306 4.158 1.00 0.00 H new ATOM 422 N LYS A 31 -9.617 -2.701 5.033 1.00 0.00 N ATOM 423 CA LYS A 31 -9.227 -3.530 6.161 1.00 0.00 C ATOM 424 C LYS A 31 -8.145 -2.810 6.968 1.00 0.00 C ATOM 425 O LYS A 31 -7.125 -2.399 6.417 1.00 0.00 O ATOM 426 CB LYS A 31 -8.813 -4.924 5.684 1.00 0.00 C ATOM 427 CG LYS A 31 -9.962 -5.615 4.946 1.00 0.00 C ATOM 428 CD LYS A 31 -10.085 -7.079 5.372 1.00 0.00 C ATOM 429 CE LYS A 31 -11.454 -7.648 4.991 1.00 0.00 C ATOM 430 NZ LYS A 31 -12.433 -7.412 6.075 1.00 0.00 N ATOM 0 H LYS A 31 -9.803 -3.214 4.171 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.074 -3.685 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.948 -4.845 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.509 -5.529 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.897 -5.093 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.794 -5.558 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.298 -7.667 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.940 -7.161 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.804 -7.183 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.369 -8.717 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.356 -7.804 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.105 -7.876 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.527 -6.390 6.242 1.00 0.00 H new ATOM 444 N LYS A 32 -8.404 -2.679 8.260 1.00 0.00 N ATOM 445 CA LYS A 32 -7.465 -2.016 9.148 1.00 0.00 C ATOM 446 C LYS A 32 -7.419 -0.524 8.813 1.00 0.00 C ATOM 447 O LYS A 32 -6.344 0.036 8.601 1.00 0.00 O ATOM 448 CB LYS A 32 -6.099 -2.701 9.092 1.00 0.00 C ATOM 449 CG LYS A 32 -6.226 -4.201 9.367 1.00 0.00 C ATOM 450 CD LYS A 32 -5.427 -4.600 10.610 1.00 0.00 C ATOM 451 CE LYS A 32 -6.154 -4.176 11.888 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.512 -4.784 13.075 1.00 0.00 N ATOM 0 H LYS A 32 -9.251 -3.021 8.714 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.796 -2.101 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.650 -2.544 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.431 -2.249 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.275 -4.461 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.869 -4.764 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.272 -5.679 10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.441 -4.137 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.142 -3.090 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.199 -4.480 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.017 -4.486 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.546 -5.820 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.521 -4.473 13.131 1.00 0.00 H new ATOM 466 N MET A 33 -8.599 0.078 8.774 1.00 0.00 N ATOM 467 CA MET A 33 -8.707 1.494 8.467 1.00 0.00 C ATOM 468 C MET A 33 -10.166 1.953 8.499 1.00 0.00 C ATOM 469 O MET A 33 -10.572 2.683 9.402 1.00 0.00 O ATOM 470 CB MET A 33 -8.117 1.763 7.081 1.00 0.00 C ATOM 471 CG MET A 33 -7.996 3.266 6.819 1.00 0.00 C ATOM 472 SD MET A 33 -7.604 3.556 5.102 1.00 0.00 S ATOM 473 CE MET A 33 -5.982 2.814 5.025 1.00 0.00 C ATOM 0 H MET A 33 -9.488 -0.389 8.950 1.00 0.00 H new ATOM 0 HA MET A 33 -8.154 2.053 9.222 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.135 1.296 7.003 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.748 1.307 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.930 3.765 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.221 3.693 7.455 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.459 3.174 4.139 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.416 3.084 5.916 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.080 1.730 4.972 1.00 0.00 H new ATOM 483 N GLY A 34 -10.915 1.505 7.502 1.00 0.00 N ATOM 484 CA GLY A 34 -12.321 1.860 7.404 1.00 0.00 C ATOM 485 C GLY A 34 -12.635 2.487 6.044 1.00 0.00 C ATOM 486 O GLY A 34 -11.821 2.422 5.124 1.00 0.00 O ATOM 0 H GLY A 34 -10.575 0.899 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.935 0.971 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.579 2.559 8.199 1.00 0.00 H new ATOM 490 N THR A 35 -13.817 3.080 5.960 1.00 0.00 N ATOM 491 CA THR A 35 -14.248 3.718 4.728 1.00 0.00 C ATOM 492 C THR A 35 -13.813 5.184 4.706 1.00 0.00 C ATOM 493 O THR A 35 -13.118 5.616 3.788 1.00 0.00 O ATOM 494 CB THR A 35 -15.762 3.531 4.604 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.916 2.153 4.275 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.346 4.270 3.398 1.00 0.00 C ATOM 0 H THR A 35 -14.489 3.132 6.725 1.00 0.00 H new ATOM 0 HA THR A 35 -13.777 3.259 3.859 1.00 0.00 H new ATOM 0 HB THR A 35 -16.247 3.882 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.869 1.944 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.423 4.104 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.146 5.337 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.886 3.895 2.484 1.00 0.00 H new ATOM 504 N THR A 36 -14.240 5.910 5.729 1.00 0.00 N ATOM 505 CA THR A 36 -13.903 7.319 5.839 1.00 0.00 C ATOM 506 C THR A 36 -12.465 7.562 5.376 1.00 0.00 C ATOM 507 O THR A 36 -12.240 8.156 4.322 1.00 0.00 O ATOM 508 CB THR A 36 -14.157 7.755 7.283 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.566 7.617 7.444 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.902 9.249 7.498 1.00 0.00 C ATOM 0 H THR A 36 -14.816 5.549 6.489 1.00 0.00 H new ATOM 0 HA THR A 36 -14.529 7.927 5.185 1.00 0.00 H new ATOM 0 HB THR A 36 -13.520 7.178 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.818 7.878 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.097 9.505 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.865 9.480 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.563 9.827 6.852 1.00 0.00 H new ATOM 518 N ARG A 37 -11.529 7.089 6.185 1.00 0.00 N ATOM 519 CA ARG A 37 -10.119 7.247 5.872 1.00 0.00 C ATOM 520 C ARG A 37 -9.820 6.693 4.477 1.00 0.00 C ATOM 521 O ARG A 37 -9.372 7.426 3.597 1.00 0.00 O ATOM 522 CB ARG A 37 -9.242 6.525 6.898 1.00 0.00 C ATOM 523 CG ARG A 37 -8.629 7.517 7.889 1.00 0.00 C ATOM 524 CD ARG A 37 -7.144 7.223 8.111 1.00 0.00 C ATOM 525 NE ARG A 37 -6.511 8.343 8.842 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.286 8.290 9.383 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.555 7.171 9.278 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.791 9.355 10.028 1.00 0.00 N ATOM 0 H ARG A 37 -11.719 6.596 7.057 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.890 8.312 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.838 5.788 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.449 5.981 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.750 8.533 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.160 7.463 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.028 6.298 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.646 7.076 7.152 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.040 9.210 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.931 6.360 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.623 7.130 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.347 10.207 10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.859 9.314 10.440 1.00 0.00 H new ATOM 542 N ARG A 38 -10.080 5.404 4.319 1.00 0.00 N ATOM 543 CA ARG A 38 -9.845 4.743 3.046 1.00 0.00 C ATOM 544 C ARG A 38 -10.233 5.666 1.889 1.00 0.00 C ATOM 545 O ARG A 38 -9.411 5.962 1.023 1.00 0.00 O ATOM 546 CB ARG A 38 -10.646 3.444 2.943 1.00 0.00 C ATOM 547 CG ARG A 38 -10.696 2.943 1.498 1.00 0.00 C ATOM 548 CD ARG A 38 -11.265 1.525 1.429 1.00 0.00 C ATOM 549 NE ARG A 38 -11.693 1.218 0.046 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.893 1.539 -0.458 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.791 2.177 0.305 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.195 1.221 -1.724 1.00 0.00 N ATOM 0 H ARG A 38 -10.451 4.799 5.051 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.783 4.507 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.195 2.683 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.659 3.607 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.310 3.615 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.694 2.958 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.513 0.806 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.111 1.430 2.110 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.034 0.732 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.561 2.418 1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.704 2.421 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.512 0.735 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.108 1.465 -2.107 1.00 0.00 H new ATOM 566 N ALA A 39 -11.486 6.096 1.912 1.00 0.00 N ATOM 567 CA ALA A 39 -11.993 6.980 0.876 1.00 0.00 C ATOM 568 C ALA A 39 -11.212 8.295 0.905 1.00 0.00 C ATOM 569 O ALA A 39 -10.774 8.784 -0.135 1.00 0.00 O ATOM 570 CB ALA A 39 -13.496 7.190 1.075 1.00 0.00 C ATOM 0 H ALA A 39 -12.165 5.849 2.632 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.853 6.536 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.877 7.853 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.009 6.230 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.675 7.637 2.053 1.00 0.00 H new ATOM 576 N LEU A 40 -11.060 8.829 2.108 1.00 0.00 N ATOM 577 CA LEU A 40 -10.339 10.078 2.287 1.00 0.00 C ATOM 578 C LEU A 40 -8.966 9.969 1.619 1.00 0.00 C ATOM 579 O LEU A 40 -8.728 10.582 0.579 1.00 0.00 O ATOM 580 CB LEU A 40 -10.273 10.452 3.769 1.00 0.00 C ATOM 581 CG LEU A 40 -9.774 11.863 4.083 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.931 12.783 2.871 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.468 12.427 5.324 1.00 0.00 C ATOM 0 H LEU A 40 -11.424 8.420 2.968 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.868 10.896 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.269 10.337 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.624 9.737 4.275 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.709 11.806 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.569 13.780 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.354 12.386 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.983 12.839 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.095 13.431 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.544 12.467 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.261 11.785 6.180 1.00 0.00 H new ATOM 595 N LEU A 41 -8.100 9.185 2.244 1.00 0.00 N ATOM 596 CA LEU A 41 -6.758 8.988 1.723 1.00 0.00 C ATOM 597 C LEU A 41 -6.831 8.758 0.212 1.00 0.00 C ATOM 598 O LEU A 41 -6.128 9.416 -0.554 1.00 0.00 O ATOM 599 CB LEU A 41 -6.049 7.865 2.482 1.00 0.00 C ATOM 600 CG LEU A 41 -5.557 8.213 3.888 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.513 9.331 3.843 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.728 8.559 4.809 1.00 0.00 C ATOM 0 H LEU A 41 -8.301 8.679 3.106 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.153 9.881 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.730 7.017 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.194 7.537 1.890 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.068 7.333 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.180 9.559 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.661 9.009 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.954 10.223 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.350 8.802 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.267 9.416 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.402 7.705 4.877 1.00 0.00 H new ATOM 614 N MET A 42 -7.687 7.822 -0.172 1.00 0.00 N ATOM 615 CA MET A 42 -7.860 7.498 -1.578 1.00 0.00 C ATOM 616 C MET A 42 -8.142 8.757 -2.400 1.00 0.00 C ATOM 617 O MET A 42 -7.659 8.889 -3.524 1.00 0.00 O ATOM 618 CB MET A 42 -9.021 6.514 -1.735 1.00 0.00 C ATOM 619 CG MET A 42 -8.562 5.078 -1.479 1.00 0.00 C ATOM 620 SD MET A 42 -9.978 4.012 -1.267 1.00 0.00 S ATOM 621 CE MET A 42 -11.155 4.848 -2.317 1.00 0.00 C ATOM 0 H MET A 42 -8.268 7.278 0.466 1.00 0.00 H new ATOM 0 HA MET A 42 -6.938 7.047 -1.945 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.819 6.774 -1.039 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.436 6.593 -2.740 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.955 4.728 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.933 5.042 -0.590 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.031 4.215 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.456 5.786 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.697 5.054 -3.285 1.00 0.00 H new ATOM 631 N GLU A 43 -8.922 9.649 -1.809 1.00 0.00 N ATOM 632 CA GLU A 43 -9.274 10.893 -2.473 1.00 0.00 C ATOM 633 C GLU A 43 -8.102 11.875 -2.415 1.00 0.00 C ATOM 634 O GLU A 43 -7.868 12.624 -3.362 1.00 0.00 O ATOM 635 CB GLU A 43 -10.533 11.506 -1.858 1.00 0.00 C ATOM 636 CG GLU A 43 -10.514 13.031 -1.973 1.00 0.00 C ATOM 637 CD GLU A 43 -11.855 13.631 -1.544 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.480 13.035 -0.641 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.224 14.672 -2.130 1.00 0.00 O ATOM 0 H GLU A 43 -9.321 9.536 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.490 10.675 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.416 11.111 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.607 11.218 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.715 13.436 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.295 13.319 -3.001 1.00 0.00 H new ATOM 646 N LEU A 44 -7.397 11.840 -1.294 1.00 0.00 N ATOM 647 CA LEU A 44 -6.255 12.718 -1.101 1.00 0.00 C ATOM 648 C LEU A 44 -5.217 12.445 -2.191 1.00 0.00 C ATOM 649 O LEU A 44 -4.697 13.376 -2.805 1.00 0.00 O ATOM 650 CB LEU A 44 -5.706 12.577 0.320 1.00 0.00 C ATOM 651 CG LEU A 44 -6.632 13.041 1.447 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.846 13.775 2.535 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.780 13.890 0.898 1.00 0.00 C ATOM 0 H LEU A 44 -7.594 11.218 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.555 13.761 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.457 11.529 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.775 13.141 0.386 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.076 12.159 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.527 14.094 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.094 13.107 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.356 14.648 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.423 14.207 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.375 14.768 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.361 13.301 0.188 1.00 0.00 H new ATOM 665 N ALA A 45 -4.946 11.165 -2.399 1.00 0.00 N ATOM 666 CA ALA A 45 -3.979 10.758 -3.404 1.00 0.00 C ATOM 667 C ALA A 45 -4.446 11.242 -4.779 1.00 0.00 C ATOM 668 O ALA A 45 -3.684 11.875 -5.509 1.00 0.00 O ATOM 669 CB ALA A 45 -3.796 9.240 -3.352 1.00 0.00 C ATOM 0 H ALA A 45 -5.380 10.396 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.007 11.210 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.070 8.935 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.437 8.950 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.750 8.752 -3.548 1.00 0.00 H new ATOM 675 N ARG A 46 -5.694 10.927 -5.090 1.00 0.00 N ATOM 676 CA ARG A 46 -6.271 11.321 -6.364 1.00 0.00 C ATOM 677 C ARG A 46 -5.998 12.802 -6.634 1.00 0.00 C ATOM 678 O ARG A 46 -5.616 13.175 -7.742 1.00 0.00 O ATOM 679 CB ARG A 46 -7.781 11.076 -6.384 1.00 0.00 C ATOM 680 CG ARG A 46 -8.099 9.655 -6.854 1.00 0.00 C ATOM 681 CD ARG A 46 -9.587 9.341 -6.682 1.00 0.00 C ATOM 682 NE ARG A 46 -9.887 9.077 -5.257 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.124 9.040 -4.744 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.184 9.250 -5.537 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.301 8.793 -3.439 1.00 0.00 N ATOM 0 H ARG A 46 -6.323 10.403 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.806 10.714 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.192 11.234 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.262 11.798 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.819 9.543 -7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.505 8.939 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.187 10.178 -7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.856 8.474 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.103 8.913 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.049 9.438 -6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.126 9.222 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.494 8.633 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.243 8.765 -3.048 1.00 0.00 H new ATOM 699 N ARG A 47 -6.205 13.607 -5.602 1.00 0.00 N ATOM 700 CA ARG A 47 -5.986 15.039 -5.713 1.00 0.00 C ATOM 701 C ARG A 47 -4.559 15.323 -6.188 1.00 0.00 C ATOM 702 O ARG A 47 -4.276 16.403 -6.704 1.00 0.00 O ATOM 703 CB ARG A 47 -6.218 15.738 -4.373 1.00 0.00 C ATOM 704 CG ARG A 47 -7.534 15.284 -3.738 1.00 0.00 C ATOM 705 CD ARG A 47 -8.435 16.480 -3.427 1.00 0.00 C ATOM 706 NE ARG A 47 -9.029 17.005 -4.677 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.922 18.003 -4.724 1.00 0.00 C ATOM 708 NH1 ARG A 47 -10.330 18.591 -3.591 1.00 0.00 N ATOM 709 NH2 ARG A 47 -10.408 18.413 -5.904 1.00 0.00 N ATOM 0 H ARG A 47 -6.522 13.294 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.699 15.427 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.390 15.521 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.235 16.818 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.050 14.601 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.328 14.732 -2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.224 16.181 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.858 17.262 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.740 16.580 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.961 18.279 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.010 19.351 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.098 17.965 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.088 19.173 -5.939 1.00 0.00 H new ATOM 723 N LYS A 48 -3.698 14.334 -5.996 1.00 0.00 N ATOM 724 CA LYS A 48 -2.308 14.463 -6.398 1.00 0.00 C ATOM 725 C LYS A 48 -2.180 14.138 -7.888 1.00 0.00 C ATOM 726 O LYS A 48 -1.275 14.631 -8.559 1.00 0.00 O ATOM 727 CB LYS A 48 -1.409 13.608 -5.502 1.00 0.00 C ATOM 728 CG LYS A 48 -1.651 13.921 -4.024 1.00 0.00 C ATOM 729 CD LYS A 48 -1.251 15.361 -3.697 1.00 0.00 C ATOM 730 CE LYS A 48 -1.427 15.654 -2.205 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.396 17.112 -1.956 1.00 0.00 N ATOM 0 H LYS A 48 -3.937 13.440 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.967 15.490 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.601 12.552 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.363 13.791 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.703 13.768 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.079 13.231 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.213 15.528 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.858 16.052 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.373 15.240 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.636 15.165 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.517 17.293 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.483 17.499 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.166 17.571 -2.483 1.00 0.00 H new ATOM 745 N GLY A 49 -3.099 13.309 -8.361 1.00 0.00 N ATOM 746 CA GLY A 49 -3.100 12.913 -9.759 1.00 0.00 C ATOM 747 C GLY A 49 -3.241 11.395 -9.898 1.00 0.00 C ATOM 748 O GLY A 49 -3.810 10.908 -10.874 1.00 0.00 O ATOM 0 H GLY A 49 -3.848 12.901 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.920 13.407 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.176 13.241 -10.235 1.00 0.00 H new ATOM 752 N PHE A 50 -2.713 10.691 -8.907 1.00 0.00 N ATOM 753 CA PHE A 50 -2.773 9.239 -8.907 1.00 0.00 C ATOM 754 C PHE A 50 -4.192 8.749 -9.204 1.00 0.00 C ATOM 755 O PHE A 50 -5.167 9.414 -8.860 1.00 0.00 O ATOM 756 CB PHE A 50 -2.369 8.775 -7.506 1.00 0.00 C ATOM 757 CG PHE A 50 -0.884 8.968 -7.191 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.059 8.357 -7.957 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.507 9.752 -6.145 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.437 8.537 -7.665 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.871 9.931 -5.853 1.00 0.00 C ATOM 762 CZ PHE A 50 1.814 9.320 -6.619 1.00 0.00 C ATOM 0 H PHE A 50 -2.242 11.099 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.111 8.839 -9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.960 9.320 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.619 7.720 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.240 7.735 -8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.256 10.238 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.186 8.052 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.170 10.553 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.862 9.457 -6.397 1.00 0.00 H new ATOM 772 N ARG A 51 -4.262 7.588 -9.840 1.00 0.00 N ATOM 773 CA ARG A 51 -5.544 7.001 -10.187 1.00 0.00 C ATOM 774 C ARG A 51 -5.950 5.958 -9.144 1.00 0.00 C ATOM 775 O ARG A 51 -5.742 4.762 -9.343 1.00 0.00 O ATOM 776 CB ARG A 51 -5.492 6.340 -11.566 1.00 0.00 C ATOM 777 CG ARG A 51 -6.834 5.691 -11.914 1.00 0.00 C ATOM 778 CD ARG A 51 -6.702 4.783 -13.138 1.00 0.00 C ATOM 779 NE ARG A 51 -7.706 5.161 -14.158 1.00 0.00 N ATOM 780 CZ ARG A 51 -7.973 4.436 -15.253 1.00 0.00 C ATOM 781 NH1 ARG A 51 -7.314 3.291 -15.477 1.00 0.00 N ATOM 782 NH2 ARG A 51 -8.901 4.856 -16.124 1.00 0.00 N ATOM 0 H ARG A 51 -3.451 7.039 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.281 7.804 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.237 7.084 -12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.704 5.587 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.193 5.111 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.577 6.465 -12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.698 4.865 -13.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.842 3.742 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.227 6.027 -14.019 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.608 2.971 -14.814 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.518 2.740 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.404 5.727 -15.953 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.105 4.305 -16.958 1.00 0.00 H new ATOM 796 N VAL A 52 -6.522 6.449 -8.054 1.00 0.00 N ATOM 797 CA VAL A 52 -6.959 5.574 -6.980 1.00 0.00 C ATOM 798 C VAL A 52 -8.303 4.946 -7.354 1.00 0.00 C ATOM 799 O VAL A 52 -9.105 5.559 -8.057 1.00 0.00 O ATOM 800 CB VAL A 52 -7.008 6.349 -5.661 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.283 5.411 -4.484 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.716 7.139 -5.442 1.00 0.00 C ATOM 0 H VAL A 52 -6.693 7.441 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.248 4.760 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.831 7.061 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.313 5.987 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.241 4.913 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.491 4.664 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.776 7.681 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.870 6.452 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.580 7.848 -6.259 1.00 0.00 H new ATOM 812 N GLU A 53 -8.508 3.730 -6.868 1.00 0.00 N ATOM 813 CA GLU A 53 -9.741 3.013 -7.142 1.00 0.00 C ATOM 814 C GLU A 53 -10.402 2.573 -5.834 1.00 0.00 C ATOM 815 O GLU A 53 -9.753 2.533 -4.790 1.00 0.00 O ATOM 816 CB GLU A 53 -9.485 1.813 -8.057 1.00 0.00 C ATOM 817 CG GLU A 53 -8.798 2.249 -9.353 1.00 0.00 C ATOM 818 CD GLU A 53 -9.727 3.120 -10.201 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.934 2.798 -10.232 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.209 4.087 -10.799 1.00 0.00 O ATOM 0 H GLU A 53 -7.840 3.224 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.422 3.687 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.863 1.083 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.429 1.320 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.889 2.803 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.498 1.370 -9.923 1.00 0.00 H new ATOM 827 N ASN A 54 -11.684 2.255 -5.934 1.00 0.00 N ATOM 828 CA ASN A 54 -12.440 1.820 -4.772 1.00 0.00 C ATOM 829 C ASN A 54 -12.392 0.293 -4.679 1.00 0.00 C ATOM 830 O ASN A 54 -12.447 -0.268 -3.587 1.00 0.00 O ATOM 831 CB ASN A 54 -13.907 2.241 -4.879 1.00 0.00 C ATOM 832 CG ASN A 54 -14.182 3.490 -4.040 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.175 3.464 -2.820 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.424 4.582 -4.759 1.00 0.00 N ATOM 0 H ASN A 54 -12.219 2.290 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.996 2.281 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.158 2.437 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.548 1.426 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.619 5.467 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.414 4.534 -5.778 1.00 0.00 H new ATOM 841 N GLU A 55 -12.289 -0.335 -5.842 1.00 0.00 N ATOM 842 CA GLU A 55 -12.233 -1.785 -5.906 1.00 0.00 C ATOM 843 C GLU A 55 -10.993 -2.235 -6.682 1.00 0.00 C ATOM 844 O GLU A 55 -10.545 -1.544 -7.596 1.00 0.00 O ATOM 845 CB GLU A 55 -13.508 -2.356 -6.530 1.00 0.00 C ATOM 846 CG GLU A 55 -13.741 -1.777 -7.927 1.00 0.00 C ATOM 847 CD GLU A 55 -14.765 -2.609 -8.702 1.00 0.00 C ATOM 848 OE1 GLU A 55 -14.703 -3.851 -8.570 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.586 -1.985 -9.408 1.00 0.00 O ATOM 0 H GLU A 55 -12.243 0.134 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.161 -2.172 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.433 -3.442 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.362 -2.130 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.091 -0.748 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.799 -1.750 -8.475 1.00 0.00 H new ATOM 856 N LEU A 56 -10.475 -3.389 -6.289 1.00 0.00 N ATOM 857 CA LEU A 56 -9.296 -3.939 -6.937 1.00 0.00 C ATOM 858 C LEU A 56 -9.561 -4.075 -8.438 1.00 0.00 C ATOM 859 O LEU A 56 -10.712 -4.127 -8.866 1.00 0.00 O ATOM 860 CB LEU A 56 -8.877 -5.248 -6.265 1.00 0.00 C ATOM 861 CG LEU A 56 -7.805 -6.062 -6.992 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.425 -5.420 -6.831 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.816 -7.520 -6.530 1.00 0.00 C ATOM 0 H LEU A 56 -10.850 -3.958 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.448 -3.264 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.514 -5.019 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.762 -5.873 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.039 -6.060 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.682 -6.019 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.441 -4.413 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.168 -5.370 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.044 -8.076 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.621 -7.564 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.791 -7.961 -6.739 1.00 0.00 H new ATOM 875 N SER A 57 -8.475 -4.129 -9.195 1.00 0.00 N ATOM 876 CA SER A 57 -8.575 -4.259 -10.639 1.00 0.00 C ATOM 877 C SER A 57 -7.203 -4.583 -11.232 1.00 0.00 C ATOM 878 O SER A 57 -6.184 -4.460 -10.553 1.00 0.00 O ATOM 879 CB SER A 57 -9.137 -2.983 -11.268 1.00 0.00 C ATOM 880 OG SER A 57 -8.115 -2.029 -11.544 1.00 0.00 O ATOM 0 H SER A 57 -7.521 -4.085 -8.836 1.00 0.00 H new ATOM 0 HA SER A 57 -9.262 -5.076 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.658 -3.233 -12.192 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.873 -2.542 -10.596 1.00 0.00 H new ATOM 0 HG SER A 57 -8.514 -1.229 -11.946 1.00 0.00 H new ATOM 886 N ASP A 58 -7.219 -4.992 -12.492 1.00 0.00 N ATOM 887 CA ASP A 58 -5.989 -5.335 -13.184 1.00 0.00 C ATOM 888 C ASP A 58 -5.156 -4.069 -13.393 1.00 0.00 C ATOM 889 O ASP A 58 -3.999 -4.143 -13.804 1.00 0.00 O ATOM 890 CB ASP A 58 -6.280 -5.941 -14.558 1.00 0.00 C ATOM 891 CG ASP A 58 -6.503 -4.925 -15.679 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.530 -4.215 -15.606 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.643 -4.880 -16.584 1.00 0.00 O ATOM 0 H ASP A 58 -8.065 -5.094 -13.052 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.452 -6.063 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.449 -6.589 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.165 -6.573 -14.480 1.00 0.00 H new ATOM 898 N SER A 59 -5.777 -2.935 -13.101 1.00 0.00 N ATOM 899 CA SER A 59 -5.108 -1.655 -13.251 1.00 0.00 C ATOM 900 C SER A 59 -4.347 -1.308 -11.970 1.00 0.00 C ATOM 901 O SER A 59 -3.417 -0.503 -11.995 1.00 0.00 O ATOM 902 CB SER A 59 -6.108 -0.547 -13.591 1.00 0.00 C ATOM 903 OG SER A 59 -7.001 -0.936 -14.631 1.00 0.00 O ATOM 0 H SER A 59 -6.737 -2.877 -12.761 1.00 0.00 H new ATOM 0 HA SER A 59 -4.400 -1.734 -14.076 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.680 -0.288 -12.700 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.567 0.349 -13.894 1.00 0.00 H new ATOM 0 HG SER A 59 -7.624 -0.203 -14.818 1.00 0.00 H new ATOM 909 N VAL A 60 -4.771 -1.932 -10.881 1.00 0.00 N ATOM 910 CA VAL A 60 -4.141 -1.700 -9.592 1.00 0.00 C ATOM 911 C VAL A 60 -2.658 -2.066 -9.681 1.00 0.00 C ATOM 912 O VAL A 60 -2.308 -3.244 -9.735 1.00 0.00 O ATOM 913 CB VAL A 60 -4.883 -2.472 -8.500 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.133 -2.397 -7.169 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.319 -1.965 -8.350 1.00 0.00 C ATOM 0 H VAL A 60 -5.543 -2.598 -10.865 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.200 -0.646 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.927 -3.519 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.682 -2.954 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.139 -2.828 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.043 -1.356 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.825 -2.530 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.306 -0.908 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.851 -2.095 -9.292 1.00 0.00 H new ATOM 925 N THR A 61 -1.826 -1.035 -9.692 1.00 0.00 N ATOM 926 CA THR A 61 -0.389 -1.234 -9.773 1.00 0.00 C ATOM 927 C THR A 61 0.251 -1.066 -8.393 1.00 0.00 C ATOM 928 O THR A 61 1.391 -1.475 -8.180 1.00 0.00 O ATOM 929 CB THR A 61 0.164 -0.266 -10.821 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.385 0.996 -10.452 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.406 -0.527 -12.217 1.00 0.00 C ATOM 0 H THR A 61 -2.120 -0.059 -9.646 1.00 0.00 H new ATOM 0 HA THR A 61 -0.147 -2.249 -10.088 1.00 0.00 H new ATOM 0 HB THR A 61 1.251 -0.346 -10.852 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.075 1.237 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.019 0.187 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.153 -1.540 -12.530 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.490 -0.414 -12.194 1.00 0.00 H new ATOM 939 N HIS A 62 -0.511 -0.463 -7.492 1.00 0.00 N ATOM 940 CA HIS A 62 -0.032 -0.236 -6.139 1.00 0.00 C ATOM 941 C HIS A 62 -1.185 -0.418 -5.150 1.00 0.00 C ATOM 942 O HIS A 62 -2.280 0.100 -5.366 1.00 0.00 O ATOM 943 CB HIS A 62 0.639 1.134 -6.023 1.00 0.00 C ATOM 944 CG HIS A 62 1.589 1.450 -7.153 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.180 1.548 -8.471 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.932 1.690 -7.147 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.238 1.834 -9.217 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.322 1.921 -8.394 1.00 0.00 N ATOM 0 H HIS A 62 -1.456 -0.125 -7.672 1.00 0.00 H new ATOM 0 HA HIS A 62 0.733 -0.972 -5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.133 1.903 -5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.184 1.182 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.569 1.692 -6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.241 1.974 -10.288 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.276 2.129 -8.689 1.00 0.00 H new ATOM 956 N ILE A 63 -0.900 -1.154 -4.086 1.00 0.00 N ATOM 957 CA ILE A 63 -1.899 -1.410 -3.063 1.00 0.00 C ATOM 958 C ILE A 63 -1.384 -0.902 -1.715 1.00 0.00 C ATOM 959 O ILE A 63 -0.273 -1.235 -1.305 1.00 0.00 O ATOM 960 CB ILE A 63 -2.290 -2.889 -3.054 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.140 -3.239 -4.277 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.987 -3.265 -1.745 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.336 -4.752 -4.394 1.00 0.00 C ATOM 0 H ILE A 63 0.009 -1.581 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.816 -0.863 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.378 -3.483 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.110 -2.748 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.659 -2.860 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.254 -4.322 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.315 -3.077 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.889 -2.665 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.944 -4.973 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.365 -5.238 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.839 -5.124 -3.501 1.00 0.00 H new ATOM 975 N VAL A 64 -2.216 -0.104 -1.062 1.00 0.00 N ATOM 976 CA VAL A 64 -1.859 0.453 0.231 1.00 0.00 C ATOM 977 C VAL A 64 -2.514 -0.376 1.337 1.00 0.00 C ATOM 978 O VAL A 64 -3.584 -0.950 1.137 1.00 0.00 O ATOM 979 CB VAL A 64 -2.242 1.933 0.287 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.537 2.639 1.447 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.940 2.629 -1.042 1.00 0.00 C ATOM 0 H VAL A 64 -3.137 0.170 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.781 0.404 0.383 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.316 1.994 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.827 3.690 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.824 2.168 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.457 2.563 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.222 3.680 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.875 2.552 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.508 2.151 -1.840 1.00 0.00 H new ATOM 991 N ALA A 65 -1.845 -0.413 2.480 1.00 0.00 N ATOM 992 CA ALA A 65 -2.349 -1.163 3.618 1.00 0.00 C ATOM 993 C ALA A 65 -1.680 -0.653 4.896 1.00 0.00 C ATOM 994 O ALA A 65 -0.456 -0.555 4.963 1.00 0.00 O ATOM 995 CB ALA A 65 -2.111 -2.657 3.392 1.00 0.00 C ATOM 0 H ALA A 65 -0.958 0.064 2.643 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.424 -1.017 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.489 -3.219 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.631 -2.976 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.043 -2.842 3.280 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.513 -0.341 5.878 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.017 0.156 7.150 1.00 0.00 C ATOM 1003 C GLU A 66 -2.182 -0.908 8.237 1.00 0.00 C ATOM 1004 O GLU A 66 -3.288 -1.387 8.479 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.722 1.456 7.544 1.00 0.00 C ATOM 1006 CG GLU A 66 -1.954 2.184 8.649 1.00 0.00 C ATOM 1007 CD GLU A 66 -2.902 2.999 9.530 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.056 2.546 9.693 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -2.452 4.057 10.020 1.00 0.00 O ATOM 0 H GLU A 66 -3.528 -0.423 5.818 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.955 0.376 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.812 2.104 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.734 1.236 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.416 1.460 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.208 2.843 8.205 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.064 -1.246 8.864 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.071 -2.245 9.920 1.00 0.00 C ATOM 1018 C ASN A 67 -1.054 -3.641 9.295 1.00 0.00 C ATOM 1019 O ASN A 67 -1.190 -4.641 9.998 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.331 -2.128 10.780 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.690 -0.661 11.030 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.850 0.223 11.007 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.982 -0.454 11.268 1.00 0.00 N ATOM 0 H ASN A 67 -0.148 -0.846 8.661 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.192 -2.083 10.544 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.162 -2.630 10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.174 -2.635 11.732 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.323 0.491 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.632 -1.240 11.273 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.886 -3.665 7.981 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.849 -4.922 7.253 1.00 0.00 C ATOM 1032 C ASN A 68 0.574 -5.176 6.754 1.00 0.00 C ATOM 1033 O ASN A 68 1.393 -4.259 6.707 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.777 -4.882 6.037 1.00 0.00 C ATOM 1035 CG ASN A 68 -2.953 -3.933 6.275 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -2.930 -2.770 5.907 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.979 -4.492 6.910 1.00 0.00 N ATOM 0 H ASN A 68 -0.774 -2.833 7.401 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.175 -5.713 7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.217 -4.560 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.151 -5.884 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.812 -3.941 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.933 -5.472 7.190 1.00 0.00 H new ATOM 1044 N SER A 69 0.827 -6.426 6.393 1.00 0.00 N ATOM 1045 CA SER A 69 2.137 -6.812 5.899 1.00 0.00 C ATOM 1046 C SER A 69 2.025 -7.320 4.460 1.00 0.00 C ATOM 1047 O SER A 69 1.025 -7.933 4.090 1.00 0.00 O ATOM 1048 CB SER A 69 2.769 -7.881 6.792 1.00 0.00 C ATOM 1049 OG SER A 69 2.687 -7.541 8.173 1.00 0.00 O ATOM 0 H SER A 69 0.146 -7.184 6.433 1.00 0.00 H new ATOM 0 HA SER A 69 2.782 -5.934 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.270 -8.835 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.814 -8.014 6.513 1.00 0.00 H new ATOM 0 HG SER A 69 3.100 -8.250 8.709 1.00 0.00 H new ATOM 1055 N GLY A 70 3.066 -7.046 3.687 1.00 0.00 N ATOM 1056 CA GLY A 70 3.097 -7.468 2.297 1.00 0.00 C ATOM 1057 C GLY A 70 2.536 -8.883 2.140 1.00 0.00 C ATOM 1058 O GLY A 70 1.918 -9.201 1.125 1.00 0.00 O ATOM 0 H GLY A 70 3.894 -6.537 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.517 -6.774 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.122 -7.436 1.926 1.00 0.00 H new ATOM 1062 N SER A 71 2.772 -9.694 3.161 1.00 0.00 N ATOM 1063 CA SER A 71 2.298 -11.068 3.149 1.00 0.00 C ATOM 1064 C SER A 71 0.780 -11.099 3.334 1.00 0.00 C ATOM 1065 O SER A 71 0.079 -11.814 2.619 1.00 0.00 O ATOM 1066 CB SER A 71 2.982 -11.895 4.239 1.00 0.00 C ATOM 1067 OG SER A 71 3.233 -11.128 5.414 1.00 0.00 O ATOM 0 H SER A 71 3.285 -9.426 4.001 1.00 0.00 H new ATOM 0 HA SER A 71 2.549 -11.509 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.355 -12.750 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.923 -12.291 3.857 1.00 0.00 H new ATOM 0 HG SER A 71 3.669 -11.692 6.086 1.00 0.00 H new ATOM 1073 N ASP A 72 0.316 -10.315 4.296 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.106 -10.244 4.583 1.00 0.00 C ATOM 1075 C ASP A 72 -1.855 -9.806 3.323 1.00 0.00 C ATOM 1076 O ASP A 72 -2.825 -10.446 2.919 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.396 -9.222 5.685 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.437 -9.660 6.716 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -3.319 -10.458 6.329 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -2.329 -9.188 7.868 1.00 0.00 O ATOM 0 H ASP A 72 0.900 -9.723 4.887 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.433 -11.231 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.465 -8.997 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.734 -8.296 5.221 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.377 -8.719 2.737 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.989 -8.188 1.531 1.00 0.00 C ATOM 1087 C VAL A 73 -1.975 -9.262 0.442 1.00 0.00 C ATOM 1088 O VAL A 73 -2.910 -9.359 -0.352 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.282 -6.898 1.109 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.891 -6.334 -0.176 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.315 -5.861 2.233 1.00 0.00 C ATOM 0 H VAL A 73 -0.572 -8.191 3.075 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.031 -7.926 1.715 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.238 -7.139 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.370 -5.418 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.791 -7.066 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.947 -6.116 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.806 -4.954 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.350 -5.626 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.813 -6.262 3.113 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.904 -10.041 0.438 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.755 -11.105 -0.541 1.00 0.00 C ATOM 1103 C LEU A 74 -1.893 -12.113 -0.368 1.00 0.00 C ATOM 1104 O LEU A 74 -2.701 -12.305 -1.276 1.00 0.00 O ATOM 1105 CB LEU A 74 0.639 -11.728 -0.448 1.00 0.00 C ATOM 1106 CG LEU A 74 1.698 -11.146 -1.386 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.099 -11.619 -0.992 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.374 -11.468 -2.846 1.00 0.00 C ATOM 0 H LEU A 74 -0.130 -9.957 1.097 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.833 -10.706 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.994 -11.624 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.552 -12.796 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 74 1.684 -10.061 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.833 -11.191 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.319 -11.297 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.144 -12.707 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.142 -11.043 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.343 -12.549 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.405 -11.042 -3.106 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.919 -12.732 0.803 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.944 -13.717 1.106 1.00 0.00 C ATOM 1122 C GLU A 75 -4.321 -13.197 0.685 1.00 0.00 C ATOM 1123 O GLU A 75 -5.155 -13.960 0.201 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.928 -14.086 2.590 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.577 -14.680 2.993 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.761 -15.999 3.746 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.554 -15.995 4.713 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.105 -16.982 3.339 1.00 0.00 O ATOM 0 H GLU A 75 -1.247 -12.571 1.553 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.730 -14.622 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.133 -13.200 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.721 -14.804 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.969 -14.847 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.037 -13.971 3.620 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.515 -11.901 0.885 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.775 -11.271 0.533 1.00 0.00 C ATOM 1137 C TRP A 76 -5.885 -11.254 -0.993 1.00 0.00 C ATOM 1138 O TRP A 76 -6.910 -11.647 -1.550 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.884 -9.877 1.155 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.056 -9.049 0.625 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.272 -8.899 1.167 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.074 -8.257 -0.582 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.069 -8.072 0.402 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.317 -7.669 -0.696 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -6.072 -8.044 -1.545 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.674 -6.831 -1.758 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.444 -7.204 -2.601 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.692 -6.605 -2.730 1.00 0.00 C ATOM 0 H TRP A 76 -3.820 -11.271 1.286 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.615 -11.837 0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.984 -9.979 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.957 -9.335 0.971 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.589 -9.367 2.087 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.032 -7.805 0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.092 -8.493 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.654 -6.383 -1.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.711 -7.007 -3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.903 -5.968 -3.576 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.816 -10.796 -1.627 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.780 -10.723 -3.078 1.00 0.00 C ATOM 1161 C LEU A 77 -5.197 -12.074 -3.662 1.00 0.00 C ATOM 1162 O LEU A 77 -6.075 -12.138 -4.521 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.408 -10.243 -3.556 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.289 -8.749 -3.864 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -2.010 -8.165 -3.261 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.385 -8.490 -5.368 1.00 0.00 C ATOM 0 H LEU A 77 -3.968 -10.472 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.495 -9.984 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.671 -10.496 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.143 -10.801 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.129 -8.236 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.950 -7.102 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.024 -8.299 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.144 -8.678 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.297 -7.420 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.580 -9.017 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.346 -8.847 -5.738 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.547 -13.120 -3.174 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.839 -14.466 -3.638 1.00 0.00 C ATOM 1180 C GLN A 78 -6.316 -14.797 -3.409 1.00 0.00 C ATOM 1181 O GLN A 78 -6.916 -15.539 -4.185 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.935 -15.491 -2.950 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.462 -15.222 -3.267 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.633 -16.503 -3.148 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.116 -17.551 -2.752 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.362 -16.360 -3.513 1.00 0.00 N ATOM 0 H GLN A 78 -3.819 -13.063 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.637 -14.513 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.092 -15.454 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.204 -16.496 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.371 -14.818 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.071 -14.467 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.023 -15.454 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.273 -17.157 -3.471 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.858 -14.230 -2.341 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.252 -14.456 -2.001 1.00 0.00 C ATOM 1197 C ALA A 79 -9.142 -13.835 -3.079 1.00 0.00 C ATOM 1198 O ALA A 79 -10.217 -14.354 -3.377 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.537 -13.886 -0.610 1.00 0.00 C ATOM 0 H ALA A 79 -6.357 -13.615 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.471 -15.523 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.583 -14.055 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.900 -14.380 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.331 -12.816 -0.606 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.663 -12.731 -3.634 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.402 -12.034 -4.673 1.00 0.00 C ATOM 1207 C GLN A 80 -9.622 -12.953 -5.876 1.00 0.00 C ATOM 1208 O GLN A 80 -8.708 -13.662 -6.295 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.683 -10.749 -5.088 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.543 -9.791 -3.903 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.891 -9.571 -3.214 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.813 -8.994 -3.767 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.954 -10.061 -1.979 1.00 0.00 N ATOM 0 H GLN A 80 -7.772 -12.302 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.376 -11.753 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.696 -10.992 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.236 -10.262 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.826 -10.194 -3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.146 -8.836 -4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.145 -10.533 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.812 -9.965 -1.435 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.839 -12.911 -6.397 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.191 -13.732 -7.544 1.00 0.00 C ATOM 1224 C LYS A 81 -10.905 -12.952 -8.830 1.00 0.00 C ATOM 1225 O LYS A 81 -11.230 -13.412 -9.923 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.635 -14.222 -7.430 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.100 -14.868 -8.736 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.096 -15.998 -8.465 1.00 0.00 C ATOM 1229 CE LYS A 81 -14.540 -16.662 -9.770 1.00 0.00 C ATOM 1230 NZ LYS A 81 -14.724 -18.118 -9.575 1.00 0.00 N ATOM 0 H LYS A 81 -11.594 -12.322 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.576 -14.631 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.715 -14.942 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.288 -13.385 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.564 -14.115 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.240 -15.259 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.639 -16.741 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.965 -15.603 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.473 -16.214 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.796 -16.484 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.025 -18.553 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.826 -18.543 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.450 -18.282 -8.849 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.302 -11.786 -8.655 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.970 -10.938 -9.788 1.00 0.00 C ATOM 1246 C VAL A 82 -8.505 -11.158 -10.171 1.00 0.00 C ATOM 1247 O VAL A 82 -7.606 -10.910 -9.369 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.289 -9.478 -9.460 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.643 -9.059 -8.138 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.857 -8.553 -10.600 1.00 0.00 C ATOM 0 H VAL A 82 -10.034 -11.408 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.576 -11.203 -10.654 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.369 -9.388 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.885 -8.017 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.021 -9.689 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.561 -9.172 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.095 -7.521 -10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.783 -8.649 -10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.385 -8.829 -11.513 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.311 -11.621 -11.397 1.00 0.00 N ATOM 1261 CA GLN A 83 -6.970 -11.877 -11.897 1.00 0.00 C ATOM 1262 C GLN A 83 -6.328 -10.577 -12.385 1.00 0.00 C ATOM 1263 O GLN A 83 -6.517 -10.180 -13.533 1.00 0.00 O ATOM 1264 CB GLN A 83 -6.991 -12.929 -13.007 1.00 0.00 C ATOM 1265 CG GLN A 83 -7.559 -14.255 -12.497 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.004 -15.145 -13.659 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -7.416 -15.154 -14.728 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.072 -15.891 -13.392 1.00 0.00 N ATOM 0 H GLN A 83 -9.059 -11.826 -12.059 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.367 -12.272 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.592 -12.569 -13.842 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.980 -13.084 -13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.805 -14.774 -11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.405 -14.062 -11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.517 -15.835 -12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.446 -16.519 -14.103 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.583 -9.950 -11.487 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.912 -8.702 -11.812 1.00 0.00 C ATOM 1279 C VAL A 84 -3.961 -8.931 -12.989 1.00 0.00 C ATOM 1280 O VAL A 84 -3.504 -10.050 -13.214 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.205 -8.150 -10.572 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.073 -9.077 -10.127 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.687 -6.732 -10.823 1.00 0.00 C ATOM 0 H VAL A 84 -5.429 -10.282 -10.535 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.636 -7.948 -12.120 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.935 -8.102 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.588 -8.661 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.480 -10.060 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.343 -9.172 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.189 -6.363 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.980 -6.744 -11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.523 -6.077 -11.069 1.00 0.00 H new ATOM 1293 N SER A 85 -3.693 -7.852 -13.710 1.00 0.00 N ATOM 1294 CA SER A 85 -2.805 -7.921 -14.858 1.00 0.00 C ATOM 1295 C SER A 85 -1.369 -8.177 -14.395 1.00 0.00 C ATOM 1296 O SER A 85 -0.480 -8.404 -15.215 1.00 0.00 O ATOM 1297 CB SER A 85 -2.874 -6.636 -15.685 1.00 0.00 C ATOM 1298 OG SER A 85 -3.279 -6.887 -17.028 1.00 0.00 O ATOM 0 H SER A 85 -4.075 -6.925 -13.521 1.00 0.00 H new ATOM 0 HA SER A 85 -3.129 -8.747 -15.491 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.574 -5.942 -15.219 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.897 -6.152 -15.685 1.00 0.00 H new ATOM 0 HG SER A 85 -4.069 -6.347 -17.238 1.00 0.00 H new ATOM 1304 N SER A 86 -1.188 -8.133 -13.084 1.00 0.00 N ATOM 1305 CA SER A 86 0.125 -8.358 -12.502 1.00 0.00 C ATOM 1306 C SER A 86 0.098 -8.031 -11.008 1.00 0.00 C ATOM 1307 O SER A 86 -0.859 -7.434 -10.516 1.00 0.00 O ATOM 1308 CB SER A 86 1.192 -7.520 -13.210 1.00 0.00 C ATOM 1309 OG SER A 86 2.166 -8.333 -13.857 1.00 0.00 O ATOM 0 H SER A 86 -1.928 -7.945 -12.408 1.00 0.00 H new ATOM 0 HA SER A 86 0.382 -9.409 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.715 -6.871 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.684 -6.872 -12.485 1.00 0.00 H new ATOM 0 HG SER A 86 1.773 -8.741 -14.656 1.00 0.00 H new ATOM 1315 N GLN A 87 1.160 -8.437 -10.326 1.00 0.00 N ATOM 1316 CA GLN A 87 1.270 -8.195 -8.898 1.00 0.00 C ATOM 1317 C GLN A 87 1.532 -6.711 -8.630 1.00 0.00 C ATOM 1318 O GLN A 87 2.543 -6.166 -9.069 1.00 0.00 O ATOM 1319 CB GLN A 87 2.364 -9.065 -8.277 1.00 0.00 C ATOM 1320 CG GLN A 87 1.787 -9.984 -7.198 1.00 0.00 C ATOM 1321 CD GLN A 87 2.693 -11.194 -6.966 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.873 -11.187 -7.274 1.00 0.00 O ATOM 1323 NE2 GLN A 87 2.077 -12.232 -6.407 1.00 0.00 N ATOM 0 H GLN A 87 1.952 -8.932 -10.737 1.00 0.00 H new ATOM 0 HA GLN A 87 0.325 -8.468 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.841 -9.664 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.137 -8.430 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.670 -9.429 -6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.794 -10.321 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.086 -12.172 -6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.596 -13.088 -6.212 1.00 0.00 H new ATOM 1332 N PRO A 88 0.578 -6.084 -7.891 1.00 0.00 N ATOM 1333 CA PRO A 88 0.695 -4.674 -7.559 1.00 0.00 C ATOM 1334 C PRO A 88 1.739 -4.454 -6.462 1.00 0.00 C ATOM 1335 O PRO A 88 2.158 -5.402 -5.799 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.703 -4.250 -7.141 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.446 -5.534 -6.809 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.633 -6.697 -7.354 1.00 0.00 C ATOM 0 HA PRO A 88 1.045 -4.072 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.668 -3.585 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.202 -3.706 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.577 -5.632 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.442 -5.524 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.398 -7.417 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.181 -7.235 -8.128 1.00 0.00 H new ATOM 1346 N GLU A 89 2.130 -3.198 -6.304 1.00 0.00 N ATOM 1347 CA GLU A 89 3.117 -2.842 -5.299 1.00 0.00 C ATOM 1348 C GLU A 89 2.455 -2.718 -3.926 1.00 0.00 C ATOM 1349 O GLU A 89 1.577 -1.879 -3.729 1.00 0.00 O ATOM 1350 CB GLU A 89 3.841 -1.548 -5.677 1.00 0.00 C ATOM 1351 CG GLU A 89 4.989 -1.826 -6.650 1.00 0.00 C ATOM 1352 CD GLU A 89 4.869 -0.955 -7.902 1.00 0.00 C ATOM 1353 OE1 GLU A 89 3.720 -0.588 -8.231 1.00 0.00 O ATOM 1354 OE2 GLU A 89 5.929 -0.675 -8.502 1.00 0.00 O ATOM 0 H GLU A 89 1.781 -2.414 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 89 3.862 -3.636 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.136 -0.852 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.229 -1.068 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.942 -1.633 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.984 -2.879 -6.933 1.00 0.00 H new ATOM 1361 N LEU A 90 2.901 -3.567 -3.011 1.00 0.00 N ATOM 1362 CA LEU A 90 2.362 -3.563 -1.661 1.00 0.00 C ATOM 1363 C LEU A 90 3.180 -2.605 -0.793 1.00 0.00 C ATOM 1364 O LEU A 90 4.348 -2.865 -0.507 1.00 0.00 O ATOM 1365 CB LEU A 90 2.294 -4.988 -1.108 1.00 0.00 C ATOM 1366 CG LEU A 90 1.900 -6.077 -2.108 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.684 -7.418 -1.402 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.676 -5.656 -2.923 1.00 0.00 C ATOM 0 H LEU A 90 3.629 -4.262 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 90 1.336 -3.196 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.268 -5.241 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.580 -5.003 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 90 2.724 -6.211 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.405 -8.175 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.605 -7.719 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.888 -7.317 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.417 -6.448 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.164 -5.478 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.902 -4.742 -3.473 1.00 0.00 H new ATOM 1380 N LEU A 91 2.535 -1.518 -0.397 1.00 0.00 N ATOM 1381 CA LEU A 91 3.188 -0.520 0.433 1.00 0.00 C ATOM 1382 C LEU A 91 2.235 -0.089 1.549 1.00 0.00 C ATOM 1383 O LEU A 91 1.029 -0.316 1.463 1.00 0.00 O ATOM 1384 CB LEU A 91 3.696 0.641 -0.425 1.00 0.00 C ATOM 1385 CG LEU A 91 3.908 0.336 -1.909 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.609 1.565 -2.769 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.314 -0.213 -2.161 1.00 0.00 C ATOM 0 H LEU A 91 1.566 -1.306 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 91 4.071 -0.942 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.988 1.465 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.641 0.989 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 91 3.202 -0.441 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.767 1.321 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.573 1.870 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.273 2.380 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.438 -0.421 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.054 0.523 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.453 -1.132 -1.592 1.00 0.00 H new ATOM 1399 N ASP A 92 2.812 0.525 2.572 1.00 0.00 N ATOM 1400 CA ASP A 92 2.029 0.990 3.704 1.00 0.00 C ATOM 1401 C ASP A 92 1.506 2.399 3.413 1.00 0.00 C ATOM 1402 O ASP A 92 2.030 3.091 2.542 1.00 0.00 O ATOM 1403 CB ASP A 92 2.881 1.055 4.973 1.00 0.00 C ATOM 1404 CG ASP A 92 2.163 1.609 6.206 1.00 0.00 C ATOM 1405 OD1 ASP A 92 0.929 1.426 6.274 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.866 2.202 7.053 1.00 0.00 O ATOM 0 H ASP A 92 3.813 0.711 2.640 1.00 0.00 H new ATOM 0 HA ASP A 92 1.208 0.290 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.243 0.052 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.757 1.672 4.773 1.00 0.00 H new ATOM 1411 N VAL A 93 0.480 2.780 4.159 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.119 4.093 3.992 1.00 0.00 C ATOM 1413 C VAL A 93 0.984 5.153 3.962 1.00 0.00 C ATOM 1414 O VAL A 93 0.796 6.234 3.408 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.154 4.340 5.092 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.494 4.360 6.472 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.929 5.634 4.835 1.00 0.00 C ATOM 0 H VAL A 93 0.048 2.203 4.881 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.652 4.151 3.043 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.866 3.515 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.252 4.537 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.009 3.401 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.250 5.156 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.658 5.786 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.236 6.475 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.446 5.564 3.878 1.00 0.00 H new ATOM 1427 N SER A 94 2.111 4.804 4.565 1.00 0.00 N ATOM 1428 CA SER A 94 3.245 5.712 4.615 1.00 0.00 C ATOM 1429 C SER A 94 3.561 6.232 3.211 1.00 0.00 C ATOM 1430 O SER A 94 3.666 7.439 3.001 1.00 0.00 O ATOM 1431 CB SER A 94 4.474 5.026 5.216 1.00 0.00 C ATOM 1432 OG SER A 94 4.140 4.231 6.350 1.00 0.00 O ATOM 0 H SER A 94 2.263 3.905 5.023 1.00 0.00 H new ATOM 0 HA SER A 94 2.982 6.553 5.257 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.945 4.399 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.205 5.781 5.505 1.00 0.00 H new ATOM 0 HG SER A 94 3.914 3.323 6.058 1.00 0.00 H new ATOM 1438 N TRP A 95 3.703 5.294 2.285 1.00 0.00 N ATOM 1439 CA TRP A 95 4.004 5.642 0.907 1.00 0.00 C ATOM 1440 C TRP A 95 3.003 6.709 0.460 1.00 0.00 C ATOM 1441 O TRP A 95 3.395 7.761 -0.044 1.00 0.00 O ATOM 1442 CB TRP A 95 3.994 4.401 0.013 1.00 0.00 C ATOM 1443 CG TRP A 95 4.436 4.668 -1.427 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.655 5.010 -1.867 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.607 4.600 -2.607 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.672 5.167 -3.238 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.387 4.910 -3.702 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.243 4.287 -2.744 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.894 4.937 -5.012 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.765 4.319 -4.059 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.538 4.629 -5.173 1.00 0.00 C ATOM 0 H TRP A 95 3.615 4.293 2.463 1.00 0.00 H new ATOM 0 HA TRP A 95 5.011 6.052 0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.649 3.646 0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.988 3.982 0.002 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.516 5.146 -1.229 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.479 5.424 -3.806 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.614 4.041 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.526 5.182 -5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.723 4.087 -4.220 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.094 4.632 -6.158 1.00 0.00 H new ATOM 1462 N LEU A 96 1.730 6.402 0.659 1.00 0.00 N ATOM 1463 CA LEU A 96 0.670 7.321 0.282 1.00 0.00 C ATOM 1464 C LEU A 96 0.922 8.680 0.938 1.00 0.00 C ATOM 1465 O LEU A 96 1.060 9.690 0.250 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.699 6.724 0.611 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.874 7.242 -0.221 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.495 7.349 -1.699 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.119 6.378 -0.009 1.00 0.00 C ATOM 0 H LEU A 96 1.408 5.529 1.077 1.00 0.00 H new ATOM 0 HA LEU A 96 0.671 7.482 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.641 5.643 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.913 6.914 1.663 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.118 8.248 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.348 7.719 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.658 8.038 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.209 6.366 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.939 6.768 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.905 5.352 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.401 6.398 1.044 1.00 0.00 H new ATOM 1481 N ILE A 97 0.974 8.661 2.262 1.00 0.00 N ATOM 1482 CA ILE A 97 1.207 9.879 3.019 1.00 0.00 C ATOM 1483 C ILE A 97 2.307 10.696 2.338 1.00 0.00 C ATOM 1484 O ILE A 97 2.163 11.903 2.150 1.00 0.00 O ATOM 1485 CB ILE A 97 1.503 9.552 4.484 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.246 9.052 5.199 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.130 10.751 5.198 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.609 8.260 6.457 1.00 0.00 C ATOM 0 H ILE A 97 0.859 7.821 2.830 1.00 0.00 H new ATOM 0 HA ILE A 97 0.309 10.497 3.029 1.00 0.00 H new ATOM 0 HB ILE A 97 2.233 8.743 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.385 9.899 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.335 8.423 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.330 10.491 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.064 11.020 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.443 11.597 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.302 7.916 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.220 7.400 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.169 8.899 7.140 1.00 0.00 H new ATOM 1500 N GLU A 98 3.381 10.005 1.986 1.00 0.00 N ATOM 1501 CA GLU A 98 4.505 10.650 1.329 1.00 0.00 C ATOM 1502 C GLU A 98 4.124 11.058 -0.096 1.00 0.00 C ATOM 1503 O GLU A 98 4.208 12.233 -0.453 1.00 0.00 O ATOM 1504 CB GLU A 98 5.736 9.742 1.329 1.00 0.00 C ATOM 1505 CG GLU A 98 6.356 9.659 2.725 1.00 0.00 C ATOM 1506 CD GLU A 98 7.788 10.198 2.722 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.965 11.336 2.234 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.674 9.461 3.207 1.00 0.00 O ATOM 0 H GLU A 98 3.497 9.004 2.144 1.00 0.00 H new ATOM 0 HA GLU A 98 4.759 11.550 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.456 8.744 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.473 10.123 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.751 10.229 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.354 8.624 3.067 1.00 0.00 H new ATOM 1515 N CYS A 99 3.714 10.066 -0.872 1.00 0.00 N ATOM 1516 CA CYS A 99 3.320 10.306 -2.249 1.00 0.00 C ATOM 1517 C CYS A 99 2.381 11.514 -2.277 1.00 0.00 C ATOM 1518 O CYS A 99 2.274 12.199 -3.293 1.00 0.00 O ATOM 1519 CB CYS A 99 2.678 9.069 -2.879 1.00 0.00 C ATOM 1520 SG CYS A 99 3.962 7.821 -3.257 1.00 0.00 S ATOM 0 H CYS A 99 3.646 9.093 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 99 4.204 10.520 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.938 8.647 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.150 9.348 -3.791 1.00 0.00 H new ATOM 0 HG CYS A 99 3.433 6.634 -3.235 1.00 0.00 H new ATOM 1526 N ILE A 100 1.724 11.737 -1.148 1.00 0.00 N ATOM 1527 CA ILE A 100 0.797 12.850 -1.029 1.00 0.00 C ATOM 1528 C ILE A 100 1.584 14.141 -0.798 1.00 0.00 C ATOM 1529 O ILE A 100 1.555 15.047 -1.630 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.248 12.564 0.052 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.187 11.436 -0.378 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.012 13.836 0.425 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -1.992 10.909 0.811 1.00 0.00 C ATOM 0 H ILE A 100 1.815 11.166 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 100 0.236 12.980 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 100 0.271 12.226 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.866 11.798 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.608 10.624 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.748 13.606 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.313 14.582 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.519 14.227 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.652 10.108 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.311 10.526 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.588 11.718 1.234 1.00 0.00 H new ATOM 1545 N GLY A 101 2.267 14.185 0.336 1.00 0.00 N ATOM 1546 CA GLY A 101 3.061 15.351 0.687 1.00 0.00 C ATOM 1547 C GLY A 101 4.178 15.581 -0.332 1.00 0.00 C ATOM 1548 O GLY A 101 4.812 16.635 -0.337 1.00 0.00 O ATOM 0 H GLY A 101 2.287 13.432 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.420 16.231 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.491 15.217 1.679 1.00 0.00 H new ATOM 1552 N ALA A 102 4.386 14.576 -1.171 1.00 0.00 N ATOM 1553 CA ALA A 102 5.417 14.656 -2.193 1.00 0.00 C ATOM 1554 C ALA A 102 4.778 15.052 -3.525 1.00 0.00 C ATOM 1555 O ALA A 102 5.422 15.680 -4.364 1.00 0.00 O ATOM 1556 CB ALA A 102 6.158 13.320 -2.276 1.00 0.00 C ATOM 0 H ALA A 102 3.859 13.703 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 102 6.151 15.421 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.931 13.380 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.618 13.099 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.454 12.529 -2.532 1.00 0.00 H new ATOM 1562 N GLY A 103 3.519 14.668 -3.679 1.00 0.00 N ATOM 1563 CA GLY A 103 2.786 14.975 -4.896 1.00 0.00 C ATOM 1564 C GLY A 103 3.237 14.076 -6.049 1.00 0.00 C ATOM 1565 O GLY A 103 2.757 14.215 -7.173 1.00 0.00 O ATOM 0 H GLY A 103 2.988 14.147 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.718 14.844 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.940 16.020 -5.164 1.00 0.00 H new ATOM 1569 N LYS A 104 4.153 13.174 -5.730 1.00 0.00 N ATOM 1570 CA LYS A 104 4.674 12.252 -6.726 1.00 0.00 C ATOM 1571 C LYS A 104 4.869 10.875 -6.088 1.00 0.00 C ATOM 1572 O LYS A 104 4.880 10.750 -4.864 1.00 0.00 O ATOM 1573 CB LYS A 104 5.942 12.818 -7.368 1.00 0.00 C ATOM 1574 CG LYS A 104 7.172 12.517 -6.510 1.00 0.00 C ATOM 1575 CD LYS A 104 8.142 11.590 -7.245 1.00 0.00 C ATOM 1576 CE LYS A 104 9.167 10.992 -6.281 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.517 11.533 -6.558 1.00 0.00 N ATOM 0 H LYS A 104 4.548 13.061 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 104 3.960 12.128 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.073 12.389 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.839 13.895 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.677 13.448 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.861 12.055 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.586 10.789 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.656 12.145 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.883 11.217 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.177 9.906 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.201 11.116 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.792 11.297 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.507 12.566 -6.442 1.00 0.00 H new ATOM 1591 N PRO A 105 5.022 9.850 -6.968 1.00 0.00 N ATOM 1592 CA PRO A 105 5.216 8.487 -6.503 1.00 0.00 C ATOM 1593 C PRO A 105 6.636 8.287 -5.970 1.00 0.00 C ATOM 1594 O PRO A 105 7.508 7.794 -6.684 1.00 0.00 O ATOM 1595 CB PRO A 105 4.905 7.613 -7.707 1.00 0.00 C ATOM 1596 CG PRO A 105 5.001 8.524 -8.920 1.00 0.00 C ATOM 1597 CD PRO A 105 5.014 9.961 -8.424 1.00 0.00 C ATOM 0 HA PRO A 105 4.568 8.232 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.612 6.787 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.910 7.175 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.906 8.308 -9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.157 8.359 -9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.892 10.497 -8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.139 10.509 -8.775 1.00 0.00 H new ATOM 1605 N VAL A 106 6.825 8.680 -4.719 1.00 0.00 N ATOM 1606 CA VAL A 106 8.124 8.550 -4.081 1.00 0.00 C ATOM 1607 C VAL A 106 8.705 7.170 -4.395 1.00 0.00 C ATOM 1608 O VAL A 106 7.968 6.242 -4.723 1.00 0.00 O ATOM 1609 CB VAL A 106 8.000 8.820 -2.580 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.624 10.279 -2.315 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.993 7.867 -1.934 1.00 0.00 C ATOM 0 H VAL A 106 6.100 9.089 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 106 8.819 9.292 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 106 8.973 8.638 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.542 10.444 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.393 10.933 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.668 10.500 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.923 8.080 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.015 8.003 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.322 6.838 -2.078 1.00 0.00 H new ATOM 1621 N GLU A 107 10.022 7.078 -4.283 1.00 0.00 N ATOM 1622 CA GLU A 107 10.711 5.827 -4.550 1.00 0.00 C ATOM 1623 C GLU A 107 10.194 4.727 -3.620 1.00 0.00 C ATOM 1624 O GLU A 107 9.716 5.012 -2.523 1.00 0.00 O ATOM 1625 CB GLU A 107 12.226 5.994 -4.413 1.00 0.00 C ATOM 1626 CG GLU A 107 12.954 5.404 -5.622 1.00 0.00 C ATOM 1627 CD GLU A 107 13.898 4.277 -5.197 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.854 4.588 -4.454 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.643 3.131 -5.626 1.00 0.00 O ATOM 0 H GLU A 107 10.630 7.850 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 107 10.503 5.533 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.472 7.052 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.569 5.503 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.227 5.023 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.520 6.186 -6.128 1.00 0.00 H new ATOM 1636 N MET A 108 10.309 3.495 -4.092 1.00 0.00 N ATOM 1637 CA MET A 108 9.860 2.351 -3.316 1.00 0.00 C ATOM 1638 C MET A 108 11.049 1.555 -2.774 1.00 0.00 C ATOM 1639 O MET A 108 11.081 0.331 -2.881 1.00 0.00 O ATOM 1640 CB MET A 108 8.997 1.445 -4.196 1.00 0.00 C ATOM 1641 CG MET A 108 7.521 1.837 -4.105 1.00 0.00 C ATOM 1642 SD MET A 108 6.542 0.776 -5.155 1.00 0.00 S ATOM 1643 CE MET A 108 6.432 1.799 -6.613 1.00 0.00 C ATOM 0 H MET A 108 10.707 3.263 -5.002 1.00 0.00 H new ATOM 0 HA MET A 108 9.276 2.715 -2.471 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.332 1.512 -5.231 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.121 0.407 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.178 1.758 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.393 2.877 -4.405 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.708 1.369 -7.305 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.113 2.802 -6.330 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.408 1.851 -7.095 1.00 0.00 H new ATOM 1653 N THR A 109 11.997 2.284 -2.203 1.00 0.00 N ATOM 1654 CA THR A 109 13.184 1.661 -1.643 1.00 0.00 C ATOM 1655 C THR A 109 12.823 0.341 -0.960 1.00 0.00 C ATOM 1656 O THR A 109 13.188 -0.731 -1.439 1.00 0.00 O ATOM 1657 CB THR A 109 13.849 2.670 -0.704 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.874 2.895 0.310 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.035 4.042 -1.355 1.00 0.00 C ATOM 0 H THR A 109 11.967 3.300 -2.116 1.00 0.00 H new ATOM 0 HA THR A 109 13.899 1.401 -2.423 1.00 0.00 H new ATOM 0 HB THR A 109 14.818 2.286 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.631 3.844 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.511 4.720 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.664 3.943 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.063 4.443 -1.644 1.00 0.00 H new ATOM 1667 N GLY A 110 12.109 0.463 0.150 1.00 0.00 N ATOM 1668 CA GLY A 110 11.694 -0.708 0.905 1.00 0.00 C ATOM 1669 C GLY A 110 10.742 -0.320 2.038 1.00 0.00 C ATOM 1670 O GLY A 110 9.659 -0.890 2.166 1.00 0.00 O ATOM 0 H GLY A 110 11.808 1.354 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.203 -1.419 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.570 -1.209 1.317 1.00 0.00 H new ATOM 1674 N LYS A 111 11.179 0.647 2.831 1.00 0.00 N ATOM 1675 CA LYS A 111 10.379 1.117 3.949 1.00 0.00 C ATOM 1676 C LYS A 111 8.910 1.180 3.528 1.00 0.00 C ATOM 1677 O LYS A 111 8.029 0.751 4.271 1.00 0.00 O ATOM 1678 CB LYS A 111 10.925 2.445 4.478 1.00 0.00 C ATOM 1679 CG LYS A 111 10.983 3.495 3.366 1.00 0.00 C ATOM 1680 CD LYS A 111 11.790 4.717 3.808 1.00 0.00 C ATOM 1681 CE LYS A 111 13.245 4.608 3.347 1.00 0.00 C ATOM 1682 NZ LYS A 111 14.097 4.088 4.440 1.00 0.00 N ATOM 0 H LYS A 111 12.077 1.118 2.721 1.00 0.00 H new ATOM 0 HA LYS A 111 10.442 0.418 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.293 2.805 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.922 2.293 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.434 3.060 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.972 3.800 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.341 5.622 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.754 4.808 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.310 3.948 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.607 5.586 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.098 4.225 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.883 4.599 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.909 3.074 4.574 1.00 0.00 H new ATOM 1696 N HIS A 112 8.691 1.719 2.338 1.00 0.00 N ATOM 1697 CA HIS A 112 7.343 1.844 1.809 1.00 0.00 C ATOM 1698 C HIS A 112 6.704 0.459 1.702 1.00 0.00 C ATOM 1699 O HIS A 112 5.589 0.247 2.178 1.00 0.00 O ATOM 1700 CB HIS A 112 7.350 2.599 0.479 1.00 0.00 C ATOM 1701 CG HIS A 112 7.929 3.991 0.565 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.983 4.415 -0.226 1.00 0.00 N ATOM 1703 CD2 HIS A 112 7.590 5.050 1.355 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.258 5.673 0.084 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.394 6.065 1.064 1.00 0.00 N ATOM 0 H HIS A 112 9.424 2.074 1.725 1.00 0.00 H new ATOM 0 HA HIS A 112 6.733 2.435 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.921 2.024 -0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.328 2.664 0.105 1.00 0.00 H new ATOM 0 HD1 HIS A 112 9.466 3.854 -0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.801 5.061 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 112 10.031 6.282 -0.361 1.00 0.00 H new ATOM 1713 N GLN A 113 7.436 -0.449 1.074 1.00 0.00 N ATOM 1714 CA GLN A 113 6.955 -1.808 0.897 1.00 0.00 C ATOM 1715 C GLN A 113 6.597 -2.425 2.252 1.00 0.00 C ATOM 1716 O GLN A 113 7.153 -2.039 3.279 1.00 0.00 O ATOM 1717 CB GLN A 113 7.987 -2.665 0.161 1.00 0.00 C ATOM 1718 CG GLN A 113 8.307 -2.076 -1.214 1.00 0.00 C ATOM 1719 CD GLN A 113 7.328 -2.590 -2.272 1.00 0.00 C ATOM 1720 OE1 GLN A 113 6.649 -3.587 -2.094 1.00 0.00 O ATOM 1721 NE2 GLN A 113 7.295 -1.855 -3.380 1.00 0.00 N ATOM 0 H GLN A 113 8.360 -0.270 0.681 1.00 0.00 H new ATOM 0 HA GLN A 113 6.055 -1.776 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.899 -2.731 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.607 -3.680 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.260 -0.988 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.326 -2.339 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.891 -1.031 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 113 6.674 -2.115 -4.146 1.00 0.00 H new ATOM 1730 N LEU A 114 5.671 -3.371 2.209 1.00 0.00 N ATOM 1731 CA LEU A 114 5.233 -4.044 3.420 1.00 0.00 C ATOM 1732 C LEU A 114 6.059 -5.317 3.618 1.00 0.00 C ATOM 1733 O LEU A 114 6.711 -5.484 4.647 1.00 0.00 O ATOM 1734 CB LEU A 114 3.724 -4.291 3.380 1.00 0.00 C ATOM 1735 CG LEU A 114 2.854 -3.074 3.055 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.928 -3.362 1.871 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.078 -2.610 4.289 1.00 0.00 C ATOM 0 H LEU A 114 5.212 -3.688 1.355 1.00 0.00 H new ATOM 0 HA LEU A 114 5.406 -3.412 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.522 -5.065 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.415 -4.686 4.348 1.00 0.00 H new ATOM 0 HG LEU A 114 3.510 -2.255 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.321 -2.481 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.526 -3.608 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.277 -4.202 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.468 -1.744 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.434 -3.417 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.779 -2.338 5.078 1.00 0.00 H new ATOM 1749 N SER A 115 6.003 -6.182 2.616 1.00 0.00 N ATOM 1750 CA SER A 115 6.738 -7.435 2.668 1.00 0.00 C ATOM 1751 C SER A 115 6.318 -8.237 3.901 1.00 0.00 C ATOM 1752 O SER A 115 5.764 -7.682 4.848 1.00 0.00 O ATOM 1753 CB SER A 115 8.248 -7.188 2.684 1.00 0.00 C ATOM 1754 OG SER A 115 8.920 -7.926 1.667 1.00 0.00 O ATOM 0 H SER A 115 5.461 -6.040 1.764 1.00 0.00 H new ATOM 0 HA SER A 115 6.501 -8.008 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 115 8.443 -6.124 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.650 -7.464 3.659 1.00 0.00 H new ATOM 0 HG SER A 115 9.881 -7.740 1.709 1.00 0.00 H new ATOM 1760 N GLY A 116 6.599 -9.531 3.849 1.00 0.00 N ATOM 1761 CA GLY A 116 6.258 -10.416 4.950 1.00 0.00 C ATOM 1762 C GLY A 116 7.267 -10.283 6.093 1.00 0.00 C ATOM 1763 O GLY A 116 7.725 -9.182 6.397 1.00 0.00 O ATOM 0 H GLY A 116 7.059 -9.988 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.258 -10.181 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.235 -11.448 4.599 1.00 0.00 H new ATOM 1767 N PRO A 117 7.591 -11.450 6.712 1.00 0.00 N ATOM 1768 CA PRO A 117 8.537 -11.474 7.814 1.00 0.00 C ATOM 1769 C PRO A 117 9.972 -11.303 7.310 1.00 0.00 C ATOM 1770 O PRO A 117 10.294 -11.709 6.195 1.00 0.00 O ATOM 1771 CB PRO A 117 8.305 -12.810 8.502 1.00 0.00 C ATOM 1772 CG PRO A 117 7.571 -13.677 7.492 1.00 0.00 C ATOM 1773 CD PRO A 117 7.068 -12.772 6.379 1.00 0.00 C ATOM 0 HA PRO A 117 8.390 -10.650 8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.250 -13.267 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.716 -12.684 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 117 8.236 -14.442 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 117 6.739 -14.196 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.426 -13.106 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 117 5.979 -12.767 6.334 1.00 0.00 H new ATOM 1781 N SER A 118 10.794 -10.699 8.156 1.00 0.00 N ATOM 1782 CA SER A 118 12.186 -10.469 7.810 1.00 0.00 C ATOM 1783 C SER A 118 13.086 -11.427 8.594 1.00 0.00 C ATOM 1784 O SER A 118 13.884 -12.155 8.006 1.00 0.00 O ATOM 1785 CB SER A 118 12.589 -9.019 8.085 1.00 0.00 C ATOM 1786 OG SER A 118 12.554 -8.222 6.904 1.00 0.00 O ATOM 0 H SER A 118 10.523 -10.362 9.080 1.00 0.00 H new ATOM 0 HA SER A 118 12.308 -10.657 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.919 -8.592 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.593 -8.996 8.508 1.00 0.00 H new ATOM 0 HG SER A 118 12.816 -7.303 7.122 1.00 0.00 H new ATOM 1792 N SER A 119 12.925 -11.396 9.909 1.00 0.00 N ATOM 1793 CA SER A 119 13.713 -12.253 10.779 1.00 0.00 C ATOM 1794 C SER A 119 15.195 -12.152 10.411 1.00 0.00 C ATOM 1795 O SER A 119 15.738 -13.043 9.760 1.00 0.00 O ATOM 1796 CB SER A 119 13.243 -13.706 10.693 1.00 0.00 C ATOM 1797 OG SER A 119 12.157 -13.969 11.578 1.00 0.00 O ATOM 0 H SER A 119 12.261 -10.791 10.393 1.00 0.00 H new ATOM 0 HA SER A 119 13.577 -11.915 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.939 -13.929 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.074 -14.370 10.931 1.00 0.00 H new ATOM 0 HG SER A 119 11.885 -14.907 11.492 1.00 0.00 H new ATOM 1803 N GLY A 120 15.806 -11.059 10.843 1.00 0.00 N ATOM 1804 CA GLY A 120 17.214 -10.830 10.567 1.00 0.00 C ATOM 1805 C GLY A 120 18.067 -11.101 11.808 1.00 0.00 C ATOM 1806 O GLY A 120 17.894 -12.121 12.474 1.00 0.00 O ATOM 0 H GLY A 120 15.352 -10.322 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.538 -11.476 9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 120 17.361 -9.801 10.238 1.00 0.00 H new TER 1810 GLY A 120