USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 871 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 98 GLN : amide:sc= 0 X(o=1.3,f=0.91) USER MOD Set 1.2: A 100 SER OG : rot 21:sc= 1.3 USER MOD Set 2.1: A 82 TYR OH : rot 180:sc= 0.494 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -150:sc= 1.04 (180deg=0) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -126:sc= -0.666 (180deg=-3.87!) USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 -56:sc= 0.0309 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 33:sc= 0.579 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 12 SER OG : rot 130:sc= -0.0885 USER MOD Single : A 14 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.22) USER MOD Single : A 16 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.23) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00176) USER MOD Single : A 33 ASN : amide:sc= -0.0903 K(o=-0.09,f=-0.92) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 46 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.39) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.19! C(o=-4.2!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0803) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.6) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00441) USER MOD Single : A 69 CYS SG : rot -28:sc= -4.02! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -2.43 (180deg=-2.68) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= -0.0201 (180deg=-0.76) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000863) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -150:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -58:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.664 28.245 18.229 1.00 0.00 N ATOM 2 CA GLY A 1 7.887 29.419 17.874 1.00 0.00 C ATOM 3 C GLY A 1 7.307 30.119 19.087 1.00 0.00 C ATOM 4 O GLY A 1 8.012 30.369 20.064 1.00 0.00 O ATOM 0 H1 GLY A 1 9.039 27.802 17.366 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.454 28.525 18.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.057 27.566 18.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.519 30.116 17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.077 29.126 17.205 1.00 0.00 H new ATOM 8 N SER A 2 6.018 30.438 19.024 1.00 0.00 N ATOM 9 CA SER A 2 5.345 31.119 20.123 1.00 0.00 C ATOM 10 C SER A 2 4.262 30.232 20.730 1.00 0.00 C ATOM 11 O SER A 2 3.502 29.582 20.012 1.00 0.00 O ATOM 12 CB SER A 2 4.731 32.433 19.638 1.00 0.00 C ATOM 13 OG SER A 2 5.723 33.294 19.107 1.00 0.00 O ATOM 0 H SER A 2 5.419 30.236 18.223 1.00 0.00 H new ATOM 0 HA SER A 2 6.087 31.335 20.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.978 32.227 18.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.221 32.927 20.465 1.00 0.00 H new ATOM 0 HG SER A 2 5.305 34.126 18.802 1.00 0.00 H new ATOM 19 N SER A 3 4.197 30.211 22.057 1.00 0.00 N ATOM 20 CA SER A 3 3.210 29.401 22.762 1.00 0.00 C ATOM 21 C SER A 3 1.793 29.855 22.423 1.00 0.00 C ATOM 22 O SER A 3 1.546 31.039 22.198 1.00 0.00 O ATOM 23 CB SER A 3 3.436 29.484 24.273 1.00 0.00 C ATOM 24 OG SER A 3 2.460 28.736 24.976 1.00 0.00 O ATOM 0 H SER A 3 4.816 30.746 22.666 1.00 0.00 H new ATOM 0 HA SER A 3 3.329 28.366 22.440 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.430 29.110 24.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.400 30.525 24.593 1.00 0.00 H new ATOM 0 HG SER A 3 2.627 28.804 25.939 1.00 0.00 H new ATOM 30 N GLY A 4 0.866 28.903 22.389 1.00 0.00 N ATOM 31 CA GLY A 4 -0.515 29.223 22.077 1.00 0.00 C ATOM 32 C GLY A 4 -0.684 29.742 20.662 1.00 0.00 C ATOM 33 O GLY A 4 -0.109 29.197 19.721 1.00 0.00 O ATOM 0 H GLY A 4 1.046 27.916 22.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.130 28.333 22.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.880 29.971 22.781 1.00 0.00 H new ATOM 37 N SER A 5 -1.477 30.799 20.512 1.00 0.00 N ATOM 38 CA SER A 5 -1.725 31.389 19.202 1.00 0.00 C ATOM 39 C SER A 5 -2.369 30.373 18.263 1.00 0.00 C ATOM 40 O SER A 5 -1.978 30.250 17.102 1.00 0.00 O ATOM 41 CB SER A 5 -0.418 31.904 18.596 1.00 0.00 C ATOM 42 OG SER A 5 -0.670 32.838 17.561 1.00 0.00 O ATOM 0 H SER A 5 -1.958 31.264 21.282 1.00 0.00 H new ATOM 0 HA SER A 5 -2.412 32.226 19.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.187 32.371 19.373 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.159 31.067 18.203 1.00 0.00 H new ATOM 0 HG SER A 5 -1.243 32.426 16.881 1.00 0.00 H new ATOM 48 N SER A 6 -3.358 29.648 18.774 1.00 0.00 N ATOM 49 CA SER A 6 -4.055 28.640 17.983 1.00 0.00 C ATOM 50 C SER A 6 -5.558 28.696 18.235 1.00 0.00 C ATOM 51 O SER A 6 -6.005 29.100 19.308 1.00 0.00 O ATOM 52 CB SER A 6 -3.522 27.244 18.314 1.00 0.00 C ATOM 53 OG SER A 6 -2.272 27.014 17.688 1.00 0.00 O ATOM 0 H SER A 6 -3.695 29.739 19.732 1.00 0.00 H new ATOM 0 HA SER A 6 -3.873 28.850 16.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.417 27.138 19.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.239 26.491 17.988 1.00 0.00 H new ATOM 0 HG SER A 6 -1.952 26.116 17.916 1.00 0.00 H new ATOM 59 N GLY A 7 -6.335 28.287 17.236 1.00 0.00 N ATOM 60 CA GLY A 7 -7.780 28.298 17.368 1.00 0.00 C ATOM 61 C GLY A 7 -8.454 27.296 16.451 1.00 0.00 C ATOM 62 O GLY A 7 -8.148 26.105 16.491 1.00 0.00 O ATOM 0 H GLY A 7 -5.989 27.948 16.338 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.049 28.078 18.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.154 29.297 17.147 1.00 0.00 H new ATOM 66 N MET A 8 -9.374 27.779 15.624 1.00 0.00 N ATOM 67 CA MET A 8 -10.093 26.917 14.693 1.00 0.00 C ATOM 68 C MET A 8 -9.351 26.812 13.365 1.00 0.00 C ATOM 69 O MET A 8 -9.426 27.712 12.529 1.00 0.00 O ATOM 70 CB MET A 8 -11.508 27.450 14.460 1.00 0.00 C ATOM 71 CG MET A 8 -12.432 27.264 15.652 1.00 0.00 C ATOM 72 SD MET A 8 -12.673 25.529 16.081 1.00 0.00 S ATOM 73 CE MET A 8 -11.758 25.430 17.617 1.00 0.00 C ATOM 0 H MET A 8 -9.640 28.763 15.579 1.00 0.00 H new ATOM 0 HA MET A 8 -10.156 25.922 15.133 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.452 28.511 14.216 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.939 26.946 13.595 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.020 27.793 16.512 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.398 27.717 15.432 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.813 24.414 18.008 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.716 25.694 17.437 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.188 26.122 18.342 1.00 0.00 H new ATOM 83 N SER A 9 -8.635 25.708 13.177 1.00 0.00 N ATOM 84 CA SER A 9 -7.876 25.488 11.952 1.00 0.00 C ATOM 85 C SER A 9 -8.474 24.342 11.141 1.00 0.00 C ATOM 86 O SER A 9 -8.490 23.195 11.585 1.00 0.00 O ATOM 87 CB SER A 9 -6.413 25.186 12.281 1.00 0.00 C ATOM 88 OG SER A 9 -6.291 23.963 12.986 1.00 0.00 O ATOM 0 H SER A 9 -8.565 24.952 13.858 1.00 0.00 H new ATOM 0 HA SER A 9 -7.926 26.398 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.832 25.138 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.996 25.997 12.878 1.00 0.00 H new ATOM 0 HG SER A 9 -6.988 23.342 12.687 1.00 0.00 H new ATOM 94 N SER A 10 -8.965 24.663 9.948 1.00 0.00 N ATOM 95 CA SER A 10 -9.567 23.663 9.075 1.00 0.00 C ATOM 96 C SER A 10 -8.498 22.927 8.273 1.00 0.00 C ATOM 97 O SER A 10 -8.008 23.429 7.261 1.00 0.00 O ATOM 98 CB SER A 10 -10.570 24.321 8.126 1.00 0.00 C ATOM 99 OG SER A 10 -11.747 24.708 8.815 1.00 0.00 O ATOM 0 H SER A 10 -8.957 25.608 9.564 1.00 0.00 H new ATOM 0 HA SER A 10 -10.090 22.939 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.115 25.194 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.825 23.628 7.324 1.00 0.00 H new ATOM 0 HG SER A 10 -12.371 25.127 8.186 1.00 0.00 H new ATOM 105 N THR A 11 -8.140 21.732 8.733 1.00 0.00 N ATOM 106 CA THR A 11 -7.129 20.926 8.061 1.00 0.00 C ATOM 107 C THR A 11 -7.597 20.501 6.674 1.00 0.00 C ATOM 108 O THR A 11 -8.797 20.428 6.408 1.00 0.00 O ATOM 109 CB THR A 11 -6.777 19.669 8.879 1.00 0.00 C ATOM 110 OG1 THR A 11 -5.625 19.028 8.321 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.945 18.694 8.902 1.00 0.00 C ATOM 0 H THR A 11 -8.536 21.301 9.569 1.00 0.00 H new ATOM 0 HA THR A 11 -6.240 21.550 7.966 1.00 0.00 H new ATOM 0 HB THR A 11 -6.561 19.977 9.902 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.407 18.231 8.848 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.673 17.814 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.812 19.176 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.188 18.393 7.883 1.00 0.00 H new ATOM 119 N SER A 12 -6.642 20.221 5.792 1.00 0.00 N ATOM 120 CA SER A 12 -6.958 19.806 4.430 1.00 0.00 C ATOM 121 C SER A 12 -7.573 18.410 4.417 1.00 0.00 C ATOM 122 O SER A 12 -7.363 17.602 5.321 1.00 0.00 O ATOM 123 CB SER A 12 -5.698 19.828 3.563 1.00 0.00 C ATOM 124 OG SER A 12 -5.333 21.156 3.227 1.00 0.00 O ATOM 0 H SER A 12 -5.644 20.274 5.996 1.00 0.00 H new ATOM 0 HA SER A 12 -7.684 20.508 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.878 19.346 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.869 19.253 2.653 1.00 0.00 H new ATOM 0 HG SER A 12 -4.384 21.295 3.427 1.00 0.00 H new ATOM 130 N PRO A 13 -8.353 18.118 3.365 1.00 0.00 N ATOM 131 CA PRO A 13 -9.016 16.820 3.207 1.00 0.00 C ATOM 132 C PRO A 13 -8.028 15.698 2.909 1.00 0.00 C ATOM 133 O PRO A 13 -8.287 14.534 3.212 1.00 0.00 O ATOM 134 CB PRO A 13 -9.949 17.042 2.013 1.00 0.00 C ATOM 135 CG PRO A 13 -9.316 18.145 1.237 1.00 0.00 C ATOM 136 CD PRO A 13 -8.648 19.034 2.250 1.00 0.00 C ATOM 0 HA PRO A 13 -9.531 16.511 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.043 16.138 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.953 17.314 2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.591 17.754 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.061 18.697 0.665 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.740 19.487 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.301 19.849 2.562 1.00 0.00 H new ATOM 144 N ASN A 14 -6.894 16.056 2.315 1.00 0.00 N ATOM 145 CA ASN A 14 -5.867 15.077 1.976 1.00 0.00 C ATOM 146 C ASN A 14 -5.100 14.640 3.221 1.00 0.00 C ATOM 147 O ASN A 14 -4.806 13.458 3.399 1.00 0.00 O ATOM 148 CB ASN A 14 -4.897 15.661 0.946 1.00 0.00 C ATOM 149 CG ASN A 14 -5.366 15.438 -0.479 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.670 14.313 -0.876 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.427 16.513 -1.256 1.00 0.00 N ATOM 0 H ASN A 14 -6.663 17.016 2.059 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.360 14.204 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.781 16.730 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.915 15.208 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.736 16.426 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.165 17.426 -0.885 1.00 0.00 H new ATOM 158 N LEU A 15 -4.780 15.602 4.080 1.00 0.00 N ATOM 159 CA LEU A 15 -4.049 15.317 5.309 1.00 0.00 C ATOM 160 C LEU A 15 -4.928 14.569 6.306 1.00 0.00 C ATOM 161 O LEU A 15 -4.496 13.595 6.920 1.00 0.00 O ATOM 162 CB LEU A 15 -3.540 16.617 5.936 1.00 0.00 C ATOM 163 CG LEU A 15 -2.908 16.491 7.323 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.711 15.553 7.281 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.498 17.859 7.848 1.00 0.00 C ATOM 0 H LEU A 15 -5.015 16.586 3.948 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.198 14.684 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.805 17.058 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.374 17.316 6.001 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.649 16.070 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.274 15.476 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.033 14.566 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.966 15.944 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.050 17.750 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.773 18.307 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.376 18.501 7.916 1.00 0.00 H new ATOM 177 N GLN A 16 -6.165 15.031 6.459 1.00 0.00 N ATOM 178 CA GLN A 16 -7.106 14.404 7.379 1.00 0.00 C ATOM 179 C GLN A 16 -7.245 12.914 7.085 1.00 0.00 C ATOM 180 O GLN A 16 -7.150 12.081 7.986 1.00 0.00 O ATOM 181 CB GLN A 16 -8.473 15.084 7.286 1.00 0.00 C ATOM 182 CG GLN A 16 -9.497 14.529 8.263 1.00 0.00 C ATOM 183 CD GLN A 16 -8.991 14.514 9.692 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.935 15.550 10.354 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.619 13.334 10.177 1.00 0.00 N ATOM 0 H GLN A 16 -6.538 15.837 5.958 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.718 14.521 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.351 16.152 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.855 14.975 6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.406 15.128 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.765 13.515 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.682 12.500 9.593 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.271 13.262 11.133 1.00 0.00 H new ATOM 194 N LYS A 17 -7.470 12.585 5.817 1.00 0.00 N ATOM 195 CA LYS A 17 -7.621 11.196 5.403 1.00 0.00 C ATOM 196 C LYS A 17 -6.413 10.367 5.826 1.00 0.00 C ATOM 197 O LYS A 17 -6.558 9.284 6.391 1.00 0.00 O ATOM 198 CB LYS A 17 -7.805 11.112 3.886 1.00 0.00 C ATOM 199 CG LYS A 17 -7.888 9.689 3.361 1.00 0.00 C ATOM 200 CD LYS A 17 -8.731 9.609 2.099 1.00 0.00 C ATOM 201 CE LYS A 17 -9.413 8.255 1.969 1.00 0.00 C ATOM 202 NZ LYS A 17 -8.462 7.194 1.535 1.00 0.00 N ATOM 0 H LYS A 17 -7.552 13.262 5.059 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.506 10.791 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.714 11.646 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.974 11.622 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.884 9.318 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.315 9.042 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.484 10.397 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.101 9.785 1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.855 7.977 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.229 8.327 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.836 6.717 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.541 7.623 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.344 6.500 2.300 1.00 0.00 H new ATOM 216 N ALA A 18 -5.220 10.884 5.549 1.00 0.00 N ATOM 217 CA ALA A 18 -3.987 10.194 5.905 1.00 0.00 C ATOM 218 C ALA A 18 -3.989 9.788 7.374 1.00 0.00 C ATOM 219 O ALA A 18 -3.650 8.654 7.715 1.00 0.00 O ATOM 220 CB ALA A 18 -2.783 11.072 5.599 1.00 0.00 C ATOM 0 H ALA A 18 -5.082 11.779 5.079 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.922 9.286 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.869 10.544 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.765 11.306 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.851 11.996 6.173 1.00 0.00 H new ATOM 226 N ILE A 19 -4.372 10.720 8.240 1.00 0.00 N ATOM 227 CA ILE A 19 -4.418 10.458 9.673 1.00 0.00 C ATOM 228 C ILE A 19 -5.350 9.294 9.990 1.00 0.00 C ATOM 229 O ILE A 19 -4.925 8.274 10.532 1.00 0.00 O ATOM 230 CB ILE A 19 -4.880 11.700 10.458 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.917 12.866 10.224 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.983 11.380 11.942 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.569 14.224 10.360 1.00 0.00 C ATOM 0 H ILE A 19 -4.655 11.663 7.974 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.404 10.201 9.979 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.867 11.992 10.100 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.093 12.795 10.934 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.487 12.777 9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.311 12.267 12.484 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.704 10.577 12.092 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.008 11.066 12.315 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.828 15.003 10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.375 14.315 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.975 14.334 11.366 1.00 0.00 H new ATOM 245 N ASP A 20 -6.624 9.453 9.646 1.00 0.00 N ATOM 246 CA ASP A 20 -7.617 8.414 9.891 1.00 0.00 C ATOM 247 C ASP A 20 -7.117 7.058 9.403 1.00 0.00 C ATOM 248 O ASP A 20 -7.120 6.078 10.149 1.00 0.00 O ATOM 249 CB ASP A 20 -8.935 8.765 9.197 1.00 0.00 C ATOM 250 CG ASP A 20 -10.132 8.126 9.872 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.577 8.650 10.914 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.626 7.101 9.357 1.00 0.00 O ATOM 0 H ASP A 20 -6.993 10.291 9.197 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.786 8.353 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.061 9.848 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.892 8.441 8.157 1.00 0.00 H new ATOM 257 N LEU A 21 -6.689 7.008 8.146 1.00 0.00 N ATOM 258 CA LEU A 21 -6.187 5.772 7.557 1.00 0.00 C ATOM 259 C LEU A 21 -5.121 5.139 8.446 1.00 0.00 C ATOM 260 O LEU A 21 -5.308 4.043 8.972 1.00 0.00 O ATOM 261 CB LEU A 21 -5.612 6.043 6.166 1.00 0.00 C ATOM 262 CG LEU A 21 -6.621 6.441 5.088 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.914 7.086 3.906 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.423 5.230 4.636 1.00 0.00 C ATOM 0 H LEU A 21 -6.680 7.810 7.515 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.021 5.076 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.869 6.836 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.087 5.148 5.831 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.310 7.170 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.648 7.362 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.385 7.978 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.201 6.380 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.136 5.532 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.748 4.478 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.961 4.812 5.487 1.00 0.00 H new ATOM 276 N ALA A 22 -4.004 5.840 8.611 1.00 0.00 N ATOM 277 CA ALA A 22 -2.910 5.349 9.440 1.00 0.00 C ATOM 278 C ALA A 22 -3.430 4.779 10.755 1.00 0.00 C ATOM 279 O ALA A 22 -2.991 3.719 11.200 1.00 0.00 O ATOM 280 CB ALA A 22 -1.908 6.463 9.705 1.00 0.00 C ATOM 0 H ALA A 22 -3.833 6.749 8.182 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.410 4.546 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.096 6.082 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.504 6.822 8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.405 7.284 10.222 1.00 0.00 H new ATOM 286 N SER A 23 -4.368 5.490 11.373 1.00 0.00 N ATOM 287 CA SER A 23 -4.945 5.056 12.640 1.00 0.00 C ATOM 288 C SER A 23 -5.643 3.709 12.486 1.00 0.00 C ATOM 289 O SER A 23 -5.470 2.809 13.308 1.00 0.00 O ATOM 290 CB SER A 23 -5.937 6.101 13.157 1.00 0.00 C ATOM 291 OG SER A 23 -6.186 5.926 14.541 1.00 0.00 O ATOM 0 H SER A 23 -4.744 6.369 11.017 1.00 0.00 H new ATOM 0 HA SER A 23 -4.135 4.945 13.361 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.542 7.101 12.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.873 6.024 12.603 1.00 0.00 H new ATOM 0 HG SER A 23 -6.821 6.606 14.848 1.00 0.00 H new ATOM 297 N LYS A 24 -6.433 3.576 11.426 1.00 0.00 N ATOM 298 CA LYS A 24 -7.158 2.339 11.161 1.00 0.00 C ATOM 299 C LYS A 24 -6.194 1.166 11.007 1.00 0.00 C ATOM 300 O LYS A 24 -6.419 0.090 11.559 1.00 0.00 O ATOM 301 CB LYS A 24 -8.009 2.483 9.898 1.00 0.00 C ATOM 302 CG LYS A 24 -9.219 1.565 9.872 1.00 0.00 C ATOM 303 CD LYS A 24 -10.097 1.835 8.661 1.00 0.00 C ATOM 304 CE LYS A 24 -11.242 0.838 8.570 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.413 1.402 7.842 1.00 0.00 N ATOM 0 H LYS A 24 -6.588 4.311 10.736 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.811 2.141 12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.345 3.516 9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.388 2.277 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.889 0.526 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.801 1.703 10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.498 2.847 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.494 1.783 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.899 -0.064 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.547 0.542 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.172 0.692 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.757 2.248 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.129 1.661 6.875 1.00 0.00 H new ATOM 319 N ALA A 25 -5.121 1.384 10.255 1.00 0.00 N ATOM 320 CA ALA A 25 -4.121 0.346 10.032 1.00 0.00 C ATOM 321 C ALA A 25 -3.756 -0.353 11.337 1.00 0.00 C ATOM 322 O ALA A 25 -3.552 -1.567 11.365 1.00 0.00 O ATOM 323 CB ALA A 25 -2.880 0.940 9.383 1.00 0.00 C ATOM 0 H ALA A 25 -4.921 2.269 9.790 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.548 -0.398 9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.142 0.154 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.149 1.387 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.459 1.705 10.035 1.00 0.00 H new ATOM 329 N ALA A 26 -3.673 0.420 12.414 1.00 0.00 N ATOM 330 CA ALA A 26 -3.333 -0.126 13.722 1.00 0.00 C ATOM 331 C ALA A 26 -4.486 -0.945 14.292 1.00 0.00 C ATOM 332 O ALA A 26 -4.276 -2.014 14.864 1.00 0.00 O ATOM 333 CB ALA A 26 -2.954 0.994 14.680 1.00 0.00 C ATOM 0 H ALA A 26 -3.837 1.427 12.407 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.477 -0.789 13.599 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.703 0.571 15.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.093 1.534 14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.794 1.680 14.789 1.00 0.00 H new ATOM 339 N GLN A 27 -5.703 -0.435 14.132 1.00 0.00 N ATOM 340 CA GLN A 27 -6.889 -1.119 14.633 1.00 0.00 C ATOM 341 C GLN A 27 -6.996 -2.523 14.046 1.00 0.00 C ATOM 342 O GLN A 27 -7.220 -3.493 14.770 1.00 0.00 O ATOM 343 CB GLN A 27 -8.147 -0.316 14.297 1.00 0.00 C ATOM 344 CG GLN A 27 -8.264 0.984 15.076 1.00 0.00 C ATOM 345 CD GLN A 27 -9.005 0.815 16.387 1.00 0.00 C ATOM 346 OE1 GLN A 27 -8.767 -0.139 17.129 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.909 1.741 16.681 1.00 0.00 N ATOM 0 H GLN A 27 -5.893 0.449 13.660 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.799 -1.203 15.716 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.151 -0.092 13.230 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.025 -0.930 14.497 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.266 1.375 15.275 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.780 1.724 14.464 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.074 2.515 16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.438 1.679 17.551 1.00 0.00 H new ATOM 356 N GLU A 28 -6.835 -2.623 12.730 1.00 0.00 N ATOM 357 CA GLU A 28 -6.915 -3.909 12.047 1.00 0.00 C ATOM 358 C GLU A 28 -5.828 -4.857 12.544 1.00 0.00 C ATOM 359 O GLU A 28 -6.103 -6.005 12.894 1.00 0.00 O ATOM 360 CB GLU A 28 -6.787 -3.716 10.534 1.00 0.00 C ATOM 361 CG GLU A 28 -7.723 -2.659 9.974 1.00 0.00 C ATOM 362 CD GLU A 28 -9.113 -3.199 9.695 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.218 -4.261 9.046 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.095 -2.559 10.126 1.00 0.00 O ATOM 0 H GLU A 28 -6.649 -1.830 12.116 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.887 -4.350 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.759 -3.441 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.986 -4.665 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.794 -1.831 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.302 -2.257 9.052 1.00 0.00 H new ATOM 371 N ASP A 29 -4.592 -4.370 12.570 1.00 0.00 N ATOM 372 CA ASP A 29 -3.463 -5.173 13.024 1.00 0.00 C ATOM 373 C ASP A 29 -3.742 -5.776 14.398 1.00 0.00 C ATOM 374 O ASP A 29 -3.497 -6.960 14.629 1.00 0.00 O ATOM 375 CB ASP A 29 -2.193 -4.322 13.076 1.00 0.00 C ATOM 376 CG ASP A 29 -0.933 -5.164 13.102 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.847 -6.077 13.950 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.032 -4.910 12.275 1.00 0.00 O ATOM 0 H ASP A 29 -4.347 -3.423 12.282 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.318 -5.986 12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.167 -3.660 12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.221 -3.687 13.962 1.00 0.00 H new ATOM 383 N LYS A 30 -4.255 -4.953 15.306 1.00 0.00 N ATOM 384 CA LYS A 30 -4.568 -5.404 16.657 1.00 0.00 C ATOM 385 C LYS A 30 -5.675 -6.453 16.638 1.00 0.00 C ATOM 386 O LYS A 30 -5.608 -7.452 17.353 1.00 0.00 O ATOM 387 CB LYS A 30 -4.990 -4.218 17.528 1.00 0.00 C ATOM 388 CG LYS A 30 -4.852 -4.478 19.018 1.00 0.00 C ATOM 389 CD LYS A 30 -4.677 -3.184 19.795 1.00 0.00 C ATOM 390 CE LYS A 30 -5.945 -2.345 19.776 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.978 -2.880 20.707 1.00 0.00 N ATOM 0 H LYS A 30 -4.463 -3.970 15.131 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.670 -5.856 17.079 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.387 -3.350 17.262 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.027 -3.966 17.306 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.735 -5.004 19.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.997 -5.130 19.197 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.406 -3.412 20.826 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.854 -2.611 19.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.705 -1.318 20.051 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.348 -2.318 18.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.821 -2.271 20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.238 -3.845 20.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.597 -2.898 21.675 1.00 0.00 H new ATOM 405 N ALA A 31 -6.691 -6.220 15.814 1.00 0.00 N ATOM 406 CA ALA A 31 -7.810 -7.147 15.699 1.00 0.00 C ATOM 407 C ALA A 31 -7.359 -8.482 15.116 1.00 0.00 C ATOM 408 O ALA A 31 -7.856 -9.538 15.503 1.00 0.00 O ATOM 409 CB ALA A 31 -8.912 -6.540 14.843 1.00 0.00 C ATOM 0 H ALA A 31 -6.762 -5.397 15.216 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.202 -7.331 16.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.741 -7.243 14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.262 -5.615 15.302 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.523 -6.326 13.847 1.00 0.00 H new ATOM 415 N GLY A 32 -6.414 -8.426 14.183 1.00 0.00 N ATOM 416 CA GLY A 32 -5.913 -9.638 13.561 1.00 0.00 C ATOM 417 C GLY A 32 -5.910 -9.554 12.048 1.00 0.00 C ATOM 418 O GLY A 32 -5.656 -10.546 11.365 1.00 0.00 O ATOM 0 H GLY A 32 -5.986 -7.563 13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.900 -9.831 13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.526 -10.483 13.874 1.00 0.00 H new ATOM 422 N ASN A 33 -6.193 -8.367 11.521 1.00 0.00 N ATOM 423 CA ASN A 33 -6.224 -8.159 10.078 1.00 0.00 C ATOM 424 C ASN A 33 -4.912 -7.552 9.588 1.00 0.00 C ATOM 425 O ASN A 33 -4.650 -6.367 9.792 1.00 0.00 O ATOM 426 CB ASN A 33 -7.393 -7.248 9.698 1.00 0.00 C ATOM 427 CG ASN A 33 -8.675 -8.022 9.459 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.659 -9.108 8.879 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.794 -7.466 9.907 1.00 0.00 N ATOM 0 H ASN A 33 -6.404 -7.535 12.072 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.357 -9.129 9.599 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.555 -6.519 10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.137 -6.688 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.687 -7.941 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.761 -6.564 10.382 1.00 0.00 H new ATOM 436 N TYR A 34 -4.093 -8.373 8.941 1.00 0.00 N ATOM 437 CA TYR A 34 -2.808 -7.919 8.424 1.00 0.00 C ATOM 438 C TYR A 34 -2.944 -7.419 6.989 1.00 0.00 C ATOM 439 O TYR A 34 -2.287 -6.458 6.590 1.00 0.00 O ATOM 440 CB TYR A 34 -1.780 -9.051 8.485 1.00 0.00 C ATOM 441 CG TYR A 34 -1.240 -9.303 9.875 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.935 -8.876 11.000 1.00 0.00 C ATOM 443 CD2 TYR A 34 -0.034 -9.967 10.063 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.444 -9.103 12.271 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.463 -10.200 11.330 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.245 -9.766 12.431 1.00 0.00 C ATOM 447 OH TYR A 34 0.247 -9.994 13.696 1.00 0.00 O ATOM 0 H TYR A 34 -4.296 -9.356 8.762 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.467 -7.093 9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.237 -9.967 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.950 -8.814 7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.875 -8.358 10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.524 -10.307 9.203 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.996 -8.763 13.135 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.401 -10.719 11.458 1.00 0.00 H new ATOM 0 HH TYR A 34 1.100 -10.473 13.634 1.00 0.00 H new ATOM 457 N GLU A 35 -3.804 -8.079 6.218 1.00 0.00 N ATOM 458 CA GLU A 35 -4.027 -7.702 4.828 1.00 0.00 C ATOM 459 C GLU A 35 -4.639 -6.307 4.734 1.00 0.00 C ATOM 460 O GLU A 35 -4.251 -5.504 3.886 1.00 0.00 O ATOM 461 CB GLU A 35 -4.940 -8.719 4.141 1.00 0.00 C ATOM 462 CG GLU A 35 -4.969 -8.586 2.627 1.00 0.00 C ATOM 463 CD GLU A 35 -6.146 -9.308 2.001 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.528 -10.380 2.515 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.686 -8.800 0.995 1.00 0.00 O ATOM 0 H GLU A 35 -4.357 -8.876 6.533 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.062 -7.691 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.611 -9.725 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.953 -8.604 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.011 -7.530 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.042 -8.983 2.213 1.00 0.00 H new ATOM 472 N GLU A 36 -5.599 -6.028 5.611 1.00 0.00 N ATOM 473 CA GLU A 36 -6.266 -4.731 5.626 1.00 0.00 C ATOM 474 C GLU A 36 -5.371 -3.667 6.253 1.00 0.00 C ATOM 475 O GLU A 36 -5.381 -2.509 5.837 1.00 0.00 O ATOM 476 CB GLU A 36 -7.586 -4.821 6.393 1.00 0.00 C ATOM 477 CG GLU A 36 -8.626 -3.811 5.936 1.00 0.00 C ATOM 478 CD GLU A 36 -9.498 -4.339 4.814 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.671 -5.572 4.726 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.007 -3.517 4.023 1.00 0.00 O ATOM 0 H GLU A 36 -5.932 -6.682 6.319 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.473 -4.445 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.994 -5.826 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.390 -4.673 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.256 -3.536 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.123 -2.903 5.604 1.00 0.00 H new ATOM 487 N ALA A 37 -4.599 -4.068 7.258 1.00 0.00 N ATOM 488 CA ALA A 37 -3.697 -3.150 7.942 1.00 0.00 C ATOM 489 C ALA A 37 -2.579 -2.686 7.016 1.00 0.00 C ATOM 490 O ALA A 37 -2.071 -1.571 7.148 1.00 0.00 O ATOM 491 CB ALA A 37 -3.117 -3.809 9.185 1.00 0.00 C ATOM 0 H ALA A 37 -4.580 -5.023 7.616 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.270 -2.273 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.445 -3.112 9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.926 -4.084 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.564 -4.704 8.898 1.00 0.00 H new ATOM 497 N LEU A 38 -2.197 -3.547 6.079 1.00 0.00 N ATOM 498 CA LEU A 38 -1.137 -3.226 5.130 1.00 0.00 C ATOM 499 C LEU A 38 -1.561 -2.090 4.204 1.00 0.00 C ATOM 500 O LEU A 38 -1.024 -0.985 4.275 1.00 0.00 O ATOM 501 CB LEU A 38 -0.771 -4.461 4.306 1.00 0.00 C ATOM 502 CG LEU A 38 0.058 -4.207 3.047 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.516 -3.970 3.407 1.00 0.00 C ATOM 504 CD2 LEU A 38 -0.071 -5.374 2.078 1.00 0.00 C ATOM 0 H LEU A 38 -2.606 -4.473 5.956 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.263 -2.903 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.220 -5.150 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.693 -4.965 4.014 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.325 -3.311 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.091 -3.791 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.593 -3.102 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.911 -4.847 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.526 -5.175 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.285 -6.286 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.116 -5.497 1.794 1.00 0.00 H new ATOM 516 N GLN A 39 -2.530 -2.370 3.337 1.00 0.00 N ATOM 517 CA GLN A 39 -3.027 -1.372 2.398 1.00 0.00 C ATOM 518 C GLN A 39 -3.258 -0.036 3.097 1.00 0.00 C ATOM 519 O GLN A 39 -2.963 1.025 2.544 1.00 0.00 O ATOM 520 CB GLN A 39 -4.325 -1.853 1.749 1.00 0.00 C ATOM 521 CG GLN A 39 -5.559 -1.606 2.602 1.00 0.00 C ATOM 522 CD GLN A 39 -6.850 -1.828 1.838 1.00 0.00 C ATOM 523 OE1 GLN A 39 -6.851 -2.414 0.755 1.00 0.00 O ATOM 524 NE2 GLN A 39 -7.958 -1.359 2.399 1.00 0.00 N ATOM 0 H GLN A 39 -2.986 -3.280 3.266 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.273 -1.231 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.450 -1.351 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.244 -2.920 1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.536 -2.267 3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.536 -0.584 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.911 -0.879 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.856 -1.478 1.931 1.00 0.00 H new ATOM 533 N LEU A 40 -3.788 -0.094 4.313 1.00 0.00 N ATOM 534 CA LEU A 40 -4.059 1.112 5.088 1.00 0.00 C ATOM 535 C LEU A 40 -2.761 1.802 5.495 1.00 0.00 C ATOM 536 O LEU A 40 -2.691 3.029 5.555 1.00 0.00 O ATOM 537 CB LEU A 40 -4.879 0.768 6.333 1.00 0.00 C ATOM 538 CG LEU A 40 -6.321 0.323 6.085 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.970 -0.132 7.383 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.125 1.449 5.450 1.00 0.00 C ATOM 0 H LEU A 40 -4.039 -0.963 4.784 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.631 1.796 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.364 -0.024 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.896 1.641 6.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.307 -0.521 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.996 -0.445 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.408 -0.969 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.972 0.692 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.149 1.115 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.131 2.312 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.672 1.728 4.498 1.00 0.00 H new ATOM 552 N TYR A 41 -1.735 1.004 5.772 1.00 0.00 N ATOM 553 CA TYR A 41 -0.439 1.538 6.173 1.00 0.00 C ATOM 554 C TYR A 41 0.240 2.252 5.009 1.00 0.00 C ATOM 555 O TYR A 41 0.908 3.269 5.196 1.00 0.00 O ATOM 556 CB TYR A 41 0.460 0.414 6.691 1.00 0.00 C ATOM 557 CG TYR A 41 0.309 0.152 8.172 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.427 1.183 9.096 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.050 -1.127 8.649 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.291 0.949 10.450 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.089 -1.371 10.001 1.00 0.00 C ATOM 562 CZ TYR A 41 0.032 -0.330 10.898 1.00 0.00 C ATOM 563 OH TYR A 41 -0.104 -0.569 12.246 1.00 0.00 O ATOM 0 H TYR A 41 -1.776 -0.014 5.726 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.603 2.261 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.235 -0.501 6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.499 0.665 6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.629 2.186 8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.044 -1.945 7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.387 1.762 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.291 -2.371 10.354 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.285 -1.521 12.393 1.00 0.00 H new ATOM 573 N GLN A 42 0.063 1.712 3.807 1.00 0.00 N ATOM 574 CA GLN A 42 0.659 2.297 2.612 1.00 0.00 C ATOM 575 C GLN A 42 -0.073 3.573 2.208 1.00 0.00 C ATOM 576 O GLN A 42 0.551 4.602 1.946 1.00 0.00 O ATOM 577 CB GLN A 42 0.632 1.293 1.459 1.00 0.00 C ATOM 578 CG GLN A 42 1.346 -0.012 1.771 1.00 0.00 C ATOM 579 CD GLN A 42 1.812 -0.736 0.523 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.871 -0.431 -0.026 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.021 -1.700 0.068 1.00 0.00 N ATOM 0 H GLN A 42 -0.488 0.871 3.635 1.00 0.00 H new ATOM 0 HA GLN A 42 1.695 2.550 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.405 1.077 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.091 1.748 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.205 0.192 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.677 -0.662 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.152 -1.919 0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.282 -2.222 -0.769 1.00 0.00 H new ATOM 590 N HIS A 43 -1.399 3.499 2.159 1.00 0.00 N ATOM 591 CA HIS A 43 -2.216 4.649 1.787 1.00 0.00 C ATOM 592 C HIS A 43 -1.906 5.847 2.679 1.00 0.00 C ATOM 593 O HIS A 43 -1.508 6.906 2.196 1.00 0.00 O ATOM 594 CB HIS A 43 -3.701 4.298 1.883 1.00 0.00 C ATOM 595 CG HIS A 43 -4.265 3.731 0.616 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.330 4.443 -0.563 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.791 2.513 0.349 1.00 0.00 C ATOM 598 CE1 HIS A 43 -4.873 3.687 -1.501 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.161 2.511 -0.974 1.00 0.00 N ATOM 0 H HIS A 43 -1.931 2.655 2.372 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.979 4.914 0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.845 3.578 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.261 5.194 2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.900 1.695 1.046 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.051 3.981 -2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.589 1.728 -1.469 1.00 0.00 H new ATOM 608 N ALA A 44 -2.091 5.671 3.984 1.00 0.00 N ATOM 609 CA ALA A 44 -1.830 6.737 4.943 1.00 0.00 C ATOM 610 C ALA A 44 -0.618 7.565 4.527 1.00 0.00 C ATOM 611 O ALA A 44 -0.662 8.795 4.535 1.00 0.00 O ATOM 612 CB ALA A 44 -1.623 6.157 6.334 1.00 0.00 C ATOM 0 H ALA A 44 -2.421 4.800 4.401 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.698 7.396 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.429 6.965 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.518 5.615 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.773 5.475 6.321 1.00 0.00 H new ATOM 618 N VAL A 45 0.463 6.882 4.165 1.00 0.00 N ATOM 619 CA VAL A 45 1.687 7.554 3.746 1.00 0.00 C ATOM 620 C VAL A 45 1.479 8.311 2.439 1.00 0.00 C ATOM 621 O VAL A 45 1.822 9.488 2.331 1.00 0.00 O ATOM 622 CB VAL A 45 2.844 6.553 3.568 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.082 7.257 3.032 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.148 5.851 4.882 1.00 0.00 C ATOM 0 H VAL A 45 0.516 5.863 4.153 1.00 0.00 H new ATOM 0 HA VAL A 45 1.946 8.261 4.534 1.00 0.00 H new ATOM 0 HB VAL A 45 2.540 5.799 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.889 6.534 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.854 7.709 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.391 8.033 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.968 5.148 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.431 6.589 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.263 5.312 5.220 1.00 0.00 H new ATOM 634 N GLN A 46 0.914 7.627 1.449 1.00 0.00 N ATOM 635 CA GLN A 46 0.659 8.236 0.149 1.00 0.00 C ATOM 636 C GLN A 46 0.016 9.609 0.307 1.00 0.00 C ATOM 637 O GLN A 46 0.424 10.575 -0.338 1.00 0.00 O ATOM 638 CB GLN A 46 -0.242 7.331 -0.694 1.00 0.00 C ATOM 639 CG GLN A 46 0.377 5.979 -1.008 1.00 0.00 C ATOM 640 CD GLN A 46 -0.558 5.076 -1.788 1.00 0.00 C ATOM 641 OE1 GLN A 46 -0.916 3.990 -1.331 1.00 0.00 O ATOM 642 NE2 GLN A 46 -0.961 5.522 -2.972 1.00 0.00 N ATOM 0 H GLN A 46 0.624 6.652 1.522 1.00 0.00 H new ATOM 0 HA GLN A 46 1.615 8.360 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.183 7.177 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.480 7.838 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.293 6.127 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.658 5.487 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.639 6.428 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.592 4.958 -3.541 1.00 0.00 H new ATOM 651 N TYR A 47 -0.992 9.689 1.169 1.00 0.00 N ATOM 652 CA TYR A 47 -1.694 10.944 1.410 1.00 0.00 C ATOM 653 C TYR A 47 -0.798 11.937 2.144 1.00 0.00 C ATOM 654 O TYR A 47 -0.695 13.102 1.757 1.00 0.00 O ATOM 655 CB TYR A 47 -2.967 10.693 2.219 1.00 0.00 C ATOM 656 CG TYR A 47 -4.103 10.122 1.400 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.937 10.952 0.661 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.342 8.754 1.367 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.976 10.435 -0.088 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.378 8.228 0.620 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.193 9.073 -0.106 1.00 0.00 C ATOM 662 OH TYR A 47 -7.227 8.553 -0.851 1.00 0.00 O ATOM 0 H TYR A 47 -1.341 8.899 1.712 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.964 11.371 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.739 10.008 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.291 11.631 2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.770 12.019 0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.707 8.090 1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.615 11.094 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.549 7.162 0.604 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.241 7.578 -0.755 1.00 0.00 H new ATOM 672 N PHE A 48 -0.151 11.468 3.205 1.00 0.00 N ATOM 673 CA PHE A 48 0.736 12.313 3.996 1.00 0.00 C ATOM 674 C PHE A 48 1.726 13.050 3.099 1.00 0.00 C ATOM 675 O PHE A 48 1.888 14.267 3.202 1.00 0.00 O ATOM 676 CB PHE A 48 1.492 11.472 5.026 1.00 0.00 C ATOM 677 CG PHE A 48 0.732 11.264 6.305 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.195 12.342 6.990 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.555 9.991 6.822 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.505 12.155 8.166 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.145 9.797 7.998 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.675 10.880 8.671 1.00 0.00 C ATOM 0 H PHE A 48 -0.224 10.506 3.537 1.00 0.00 H new ATOM 0 HA PHE A 48 0.126 13.050 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.725 10.501 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.442 11.956 5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.325 13.341 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.969 9.141 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.919 13.004 8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.277 8.799 8.390 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.221 10.731 9.591 1.00 0.00 H new ATOM 692 N LEU A 49 2.387 12.305 2.219 1.00 0.00 N ATOM 693 CA LEU A 49 3.362 12.886 1.303 1.00 0.00 C ATOM 694 C LEU A 49 2.724 13.977 0.449 1.00 0.00 C ATOM 695 O LEU A 49 3.115 15.143 0.518 1.00 0.00 O ATOM 696 CB LEU A 49 3.957 11.801 0.405 1.00 0.00 C ATOM 697 CG LEU A 49 4.917 10.822 1.081 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.205 9.640 0.168 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.210 11.525 1.470 1.00 0.00 C ATOM 0 H LEU A 49 2.265 11.297 2.121 1.00 0.00 H new ATOM 0 HA LEU A 49 4.159 13.335 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.138 11.231 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.484 12.286 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 49 4.443 10.447 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.890 8.954 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.274 9.121 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.658 9.997 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.881 10.813 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.687 11.929 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.988 12.338 2.162 1.00 0.00 H new ATOM 711 N HIS A 50 1.739 13.591 -0.356 1.00 0.00 N ATOM 712 CA HIS A 50 1.044 14.536 -1.222 1.00 0.00 C ATOM 713 C HIS A 50 0.861 15.880 -0.523 1.00 0.00 C ATOM 714 O HIS A 50 1.016 16.936 -1.136 1.00 0.00 O ATOM 715 CB HIS A 50 -0.316 13.975 -1.638 1.00 0.00 C ATOM 716 CG HIS A 50 -0.800 14.495 -2.957 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.200 14.180 -4.157 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.836 15.313 -3.259 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.844 14.782 -5.141 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.842 15.475 -4.623 1.00 0.00 N ATOM 0 H HIS A 50 1.404 12.630 -0.426 1.00 0.00 H new ATOM 0 HA HIS A 50 1.653 14.689 -2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.252 12.888 -1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.050 14.217 -0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.528 15.755 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.597 14.718 -6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.509 16.039 -5.150 1.00 0.00 H new ATOM 729 N VAL A 51 0.528 15.832 0.763 1.00 0.00 N ATOM 730 CA VAL A 51 0.324 17.045 1.546 1.00 0.00 C ATOM 731 C VAL A 51 1.615 17.848 1.663 1.00 0.00 C ATOM 732 O VAL A 51 1.684 18.999 1.233 1.00 0.00 O ATOM 733 CB VAL A 51 -0.196 16.721 2.959 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.232 17.976 3.816 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.573 16.077 2.884 1.00 0.00 C ATOM 0 H VAL A 51 0.394 14.966 1.285 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.423 17.639 1.020 1.00 0.00 H new ATOM 0 HB VAL A 51 0.488 16.012 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.602 17.727 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.773 18.391 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.893 18.711 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.926 15.854 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.269 16.761 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.512 15.153 2.309 1.00 0.00 H new ATOM 745 N VAL A 52 2.637 17.231 2.248 1.00 0.00 N ATOM 746 CA VAL A 52 3.928 17.887 2.421 1.00 0.00 C ATOM 747 C VAL A 52 4.465 18.403 1.090 1.00 0.00 C ATOM 748 O VAL A 52 5.279 19.325 1.052 1.00 0.00 O ATOM 749 CB VAL A 52 4.963 16.932 3.044 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.351 17.555 3.011 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.565 16.571 4.467 1.00 0.00 C ATOM 0 H VAL A 52 2.596 16.278 2.610 1.00 0.00 H new ATOM 0 HA VAL A 52 3.768 18.728 3.096 1.00 0.00 H new ATOM 0 HB VAL A 52 4.988 16.015 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.070 16.866 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.634 17.758 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.345 18.487 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.307 15.896 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.511 17.477 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.591 16.081 4.459 1.00 0.00 H new ATOM 761 N LYS A 53 4.003 17.801 -0.001 1.00 0.00 N ATOM 762 CA LYS A 53 4.434 18.200 -1.335 1.00 0.00 C ATOM 763 C LYS A 53 3.725 19.475 -1.778 1.00 0.00 C ATOM 764 O LYS A 53 4.368 20.477 -2.094 1.00 0.00 O ATOM 765 CB LYS A 53 4.161 17.077 -2.339 1.00 0.00 C ATOM 766 CG LYS A 53 4.965 17.199 -3.622 1.00 0.00 C ATOM 767 CD LYS A 53 4.775 15.985 -4.516 1.00 0.00 C ATOM 768 CE LYS A 53 5.884 15.876 -5.551 1.00 0.00 C ATOM 769 NZ LYS A 53 6.010 14.492 -6.086 1.00 0.00 N ATOM 0 H LYS A 53 3.330 17.035 0.013 1.00 0.00 H new ATOM 0 HA LYS A 53 5.506 18.395 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.385 16.119 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.099 17.071 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.662 18.098 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.022 17.313 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.755 15.082 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.811 16.050 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.684 16.565 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.830 16.180 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.776 14.460 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.226 13.837 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.116 14.211 -6.537 1.00 0.00 H new ATOM 783 N TYR A 54 2.398 19.432 -1.798 1.00 0.00 N ATOM 784 CA TYR A 54 1.601 20.585 -2.202 1.00 0.00 C ATOM 785 C TYR A 54 1.068 21.333 -0.985 1.00 0.00 C ATOM 786 O TYR A 54 1.349 22.516 -0.798 1.00 0.00 O ATOM 787 CB TYR A 54 0.439 20.141 -3.092 1.00 0.00 C ATOM 788 CG TYR A 54 0.878 19.435 -4.355 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.125 20.147 -5.522 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.047 18.056 -4.381 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.526 19.506 -6.678 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.449 17.407 -5.532 1.00 0.00 C ATOM 793 CZ TYR A 54 1.686 18.136 -6.678 1.00 0.00 C ATOM 794 OH TYR A 54 2.087 17.494 -7.828 1.00 0.00 O ATOM 0 H TYR A 54 1.851 18.611 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 54 2.245 21.260 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.211 19.477 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.155 21.014 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.001 21.220 -5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.861 17.482 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.713 20.074 -7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.577 16.335 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 54 2.153 16.531 -7.659 1.00 0.00 H new ATOM 804 N GLU A 55 0.296 20.633 -0.159 1.00 0.00 N ATOM 805 CA GLU A 55 -0.278 21.231 1.041 1.00 0.00 C ATOM 806 C GLU A 55 0.734 21.235 2.183 1.00 0.00 C ATOM 807 O GLU A 55 0.385 20.979 3.335 1.00 0.00 O ATOM 808 CB GLU A 55 -1.538 20.472 1.463 1.00 0.00 C ATOM 809 CG GLU A 55 -2.714 20.675 0.523 1.00 0.00 C ATOM 810 CD GLU A 55 -3.523 21.913 0.860 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.921 22.914 1.300 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.759 21.879 0.683 1.00 0.00 O ATOM 0 H GLU A 55 0.054 19.652 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.545 22.263 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.309 19.408 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.825 20.791 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.347 20.753 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.362 19.800 0.564 1.00 0.00 H new ATOM 819 N ALA A 56 1.988 21.526 1.854 1.00 0.00 N ATOM 820 CA ALA A 56 3.050 21.565 2.852 1.00 0.00 C ATOM 821 C ALA A 56 2.763 22.617 3.919 1.00 0.00 C ATOM 822 O ALA A 56 1.878 23.456 3.753 1.00 0.00 O ATOM 823 CB ALA A 56 4.390 21.839 2.186 1.00 0.00 C ATOM 0 H ALA A 56 2.294 21.738 0.904 1.00 0.00 H new ATOM 0 HA ALA A 56 3.091 20.591 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.174 21.865 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.607 21.049 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.351 22.799 1.671 1.00 0.00 H new ATOM 829 N GLN A 57 3.516 22.564 5.013 1.00 0.00 N ATOM 830 CA GLN A 57 3.340 23.512 6.107 1.00 0.00 C ATOM 831 C GLN A 57 4.653 24.214 6.435 1.00 0.00 C ATOM 832 O GLN A 57 4.795 25.417 6.223 1.00 0.00 O ATOM 833 CB GLN A 57 2.807 22.796 7.349 1.00 0.00 C ATOM 834 CG GLN A 57 1.427 22.188 7.155 1.00 0.00 C ATOM 835 CD GLN A 57 1.481 20.795 6.560 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.705 20.628 5.360 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.276 19.784 7.397 1.00 0.00 N ATOM 0 H GLN A 57 4.253 21.875 5.165 1.00 0.00 H new ATOM 0 HA GLN A 57 2.616 24.263 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.505 22.008 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.770 23.503 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.913 22.149 8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.838 22.834 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.094 19.968 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.301 18.824 7.053 1.00 0.00 H new ATOM 846 N GLY A 58 5.613 23.453 6.953 1.00 0.00 N ATOM 847 CA GLY A 58 6.902 24.020 7.303 1.00 0.00 C ATOM 848 C GLY A 58 7.944 22.957 7.591 1.00 0.00 C ATOM 849 O GLY A 58 7.606 21.825 7.939 1.00 0.00 O ATOM 0 H GLY A 58 5.521 22.454 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.250 24.654 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.789 24.660 8.178 1.00 0.00 H new ATOM 853 N ASP A 59 9.213 23.320 7.445 1.00 0.00 N ATOM 854 CA ASP A 59 10.308 22.389 7.692 1.00 0.00 C ATOM 855 C ASP A 59 9.976 21.455 8.851 1.00 0.00 C ATOM 856 O ASP A 59 10.057 20.233 8.720 1.00 0.00 O ATOM 857 CB ASP A 59 11.598 23.154 7.991 1.00 0.00 C ATOM 858 CG ASP A 59 12.703 22.249 8.501 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.755 22.009 9.726 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.514 21.780 7.676 1.00 0.00 O ATOM 0 H ASP A 59 9.509 24.252 7.157 1.00 0.00 H new ATOM 0 HA ASP A 59 10.451 21.788 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.935 23.660 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.395 23.927 8.732 1.00 0.00 H new ATOM 865 N LYS A 60 9.603 22.037 9.985 1.00 0.00 N ATOM 866 CA LYS A 60 9.258 21.257 11.168 1.00 0.00 C ATOM 867 C LYS A 60 8.111 20.296 10.872 1.00 0.00 C ATOM 868 O LYS A 60 8.306 19.083 10.811 1.00 0.00 O ATOM 869 CB LYS A 60 8.873 22.186 12.322 1.00 0.00 C ATOM 870 CG LYS A 60 10.067 22.758 13.067 1.00 0.00 C ATOM 871 CD LYS A 60 10.874 23.699 12.189 1.00 0.00 C ATOM 872 CE LYS A 60 12.143 24.163 12.887 1.00 0.00 C ATOM 873 NZ LYS A 60 13.147 23.068 12.998 1.00 0.00 N ATOM 0 H LYS A 60 9.532 23.047 10.110 1.00 0.00 H new ATOM 0 HA LYS A 60 10.133 20.673 11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.272 23.007 11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.246 21.638 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.723 23.291 13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.705 21.945 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.133 23.196 11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.265 24.564 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.576 24.998 12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.896 24.532 13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.054 23.460 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.813 22.358 13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.276 22.620 12.068 1.00 0.00 H new ATOM 887 N ALA A 61 6.916 20.848 10.686 1.00 0.00 N ATOM 888 CA ALA A 61 5.739 20.040 10.392 1.00 0.00 C ATOM 889 C ALA A 61 6.090 18.873 9.475 1.00 0.00 C ATOM 890 O ALA A 61 5.771 17.720 9.769 1.00 0.00 O ATOM 891 CB ALA A 61 4.652 20.899 9.764 1.00 0.00 C ATOM 0 H ALA A 61 6.738 21.851 10.734 1.00 0.00 H new ATOM 0 HA ALA A 61 5.366 19.631 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.779 20.282 9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.373 21.695 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.024 21.336 8.837 1.00 0.00 H new ATOM 897 N LYS A 62 6.748 19.178 8.361 1.00 0.00 N ATOM 898 CA LYS A 62 7.143 18.155 7.400 1.00 0.00 C ATOM 899 C LYS A 62 7.906 17.028 8.088 1.00 0.00 C ATOM 900 O LYS A 62 7.462 15.881 8.097 1.00 0.00 O ATOM 901 CB LYS A 62 8.005 18.770 6.296 1.00 0.00 C ATOM 902 CG LYS A 62 7.287 19.836 5.486 1.00 0.00 C ATOM 903 CD LYS A 62 8.268 20.794 4.832 1.00 0.00 C ATOM 904 CE LYS A 62 7.552 21.967 4.181 1.00 0.00 C ATOM 905 NZ LYS A 62 8.338 22.542 3.054 1.00 0.00 N ATOM 0 H LYS A 62 7.019 20.127 8.102 1.00 0.00 H new ATOM 0 HA LYS A 62 6.238 17.739 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.898 19.206 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.339 17.979 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.675 19.361 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.610 20.393 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.970 21.164 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.853 20.262 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.579 21.640 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.369 22.740 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.816 23.339 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.257 22.877 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.491 21.812 2.329 1.00 0.00 H new ATOM 919 N GLN A 63 9.056 17.364 8.665 1.00 0.00 N ATOM 920 CA GLN A 63 9.879 16.380 9.356 1.00 0.00 C ATOM 921 C GLN A 63 9.016 15.425 10.174 1.00 0.00 C ATOM 922 O GLN A 63 9.265 14.220 10.207 1.00 0.00 O ATOM 923 CB GLN A 63 10.891 17.078 10.266 1.00 0.00 C ATOM 924 CG GLN A 63 12.020 17.760 9.510 1.00 0.00 C ATOM 925 CD GLN A 63 13.052 16.778 8.991 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.604 15.981 9.750 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.317 16.829 7.691 1.00 0.00 N ATOM 0 H GLN A 63 9.438 18.310 8.667 1.00 0.00 H new ATOM 0 HA GLN A 63 10.416 15.802 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.371 17.820 10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.315 16.346 10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.605 18.321 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.508 18.481 10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.836 17.506 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.002 16.191 7.285 1.00 0.00 H new ATOM 936 N SER A 64 8.001 15.973 10.835 1.00 0.00 N ATOM 937 CA SER A 64 7.102 15.170 11.657 1.00 0.00 C ATOM 938 C SER A 64 6.396 14.112 10.816 1.00 0.00 C ATOM 939 O SER A 64 6.541 12.913 11.058 1.00 0.00 O ATOM 940 CB SER A 64 6.069 16.066 12.344 1.00 0.00 C ATOM 941 OG SER A 64 5.509 15.422 13.475 1.00 0.00 O ATOM 0 H SER A 64 7.781 16.969 10.818 1.00 0.00 H new ATOM 0 HA SER A 64 7.698 14.665 12.417 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.539 17.001 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.278 16.322 11.639 1.00 0.00 H new ATOM 0 HG SER A 64 4.853 16.015 13.898 1.00 0.00 H new ATOM 947 N ILE A 65 5.631 14.564 9.828 1.00 0.00 N ATOM 948 CA ILE A 65 4.903 13.656 8.950 1.00 0.00 C ATOM 949 C ILE A 65 5.838 12.625 8.327 1.00 0.00 C ATOM 950 O ILE A 65 5.524 11.436 8.279 1.00 0.00 O ATOM 951 CB ILE A 65 4.178 14.421 7.826 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.190 15.427 8.420 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.462 13.449 6.901 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.810 16.537 7.464 1.00 0.00 C ATOM 0 H ILE A 65 5.499 15.553 9.616 1.00 0.00 H new ATOM 0 HA ILE A 65 4.164 13.146 9.567 1.00 0.00 H new ATOM 0 HB ILE A 65 4.918 14.969 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.288 14.899 8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.626 15.865 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.955 14.004 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.188 12.768 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.730 12.877 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.107 17.213 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.704 17.090 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.345 16.109 6.576 1.00 0.00 H new ATOM 966 N ARG A 66 6.989 13.090 7.852 1.00 0.00 N ATOM 967 CA ARG A 66 7.971 12.208 7.232 1.00 0.00 C ATOM 968 C ARG A 66 8.345 11.065 8.171 1.00 0.00 C ATOM 969 O ARG A 66 8.320 9.897 7.785 1.00 0.00 O ATOM 970 CB ARG A 66 9.224 12.996 6.846 1.00 0.00 C ATOM 971 CG ARG A 66 9.109 13.707 5.508 1.00 0.00 C ATOM 972 CD ARG A 66 10.214 14.735 5.326 1.00 0.00 C ATOM 973 NE ARG A 66 11.542 14.130 5.398 1.00 0.00 N ATOM 974 CZ ARG A 66 12.670 14.831 5.388 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.632 16.154 5.310 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.840 14.209 5.456 1.00 0.00 N ATOM 0 H ARG A 66 7.264 14.072 7.885 1.00 0.00 H new ATOM 0 HA ARG A 66 7.525 11.785 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.433 13.732 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.075 12.316 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.155 12.976 4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.139 14.198 5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.093 15.230 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.124 15.504 6.093 1.00 0.00 H new ATOM 0 HE ARG A 66 11.606 13.114 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.735 16.636 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.500 16.690 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.874 13.191 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.706 14.749 5.448 1.00 0.00 H new ATOM 990 N ALA A 67 8.692 11.411 9.407 1.00 0.00 N ATOM 991 CA ALA A 67 9.069 10.414 10.401 1.00 0.00 C ATOM 992 C ALA A 67 8.058 9.274 10.447 1.00 0.00 C ATOM 993 O ALA A 67 8.430 8.103 10.533 1.00 0.00 O ATOM 994 CB ALA A 67 9.200 11.061 11.773 1.00 0.00 C ATOM 0 H ALA A 67 8.720 12.374 9.743 1.00 0.00 H new ATOM 0 HA ALA A 67 10.034 9.997 10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.482 10.305 12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.965 11.836 11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.246 11.505 12.058 1.00 0.00 H new ATOM 1000 N LYS A 68 6.777 9.622 10.389 1.00 0.00 N ATOM 1001 CA LYS A 68 5.711 8.627 10.422 1.00 0.00 C ATOM 1002 C LYS A 68 5.723 7.774 9.159 1.00 0.00 C ATOM 1003 O LYS A 68 5.575 6.553 9.222 1.00 0.00 O ATOM 1004 CB LYS A 68 4.351 9.313 10.575 1.00 0.00 C ATOM 1005 CG LYS A 68 3.926 9.506 12.020 1.00 0.00 C ATOM 1006 CD LYS A 68 4.846 10.473 12.747 1.00 0.00 C ATOM 1007 CE LYS A 68 6.011 9.748 13.403 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.729 10.618 14.375 1.00 0.00 N ATOM 0 H LYS A 68 6.451 10.586 10.319 1.00 0.00 H new ATOM 0 HA LYS A 68 5.882 7.976 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.386 10.285 10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.595 8.721 10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.903 9.881 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.929 8.544 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.227 11.213 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.280 11.015 13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.643 8.858 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.707 9.410 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.536 10.099 14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.072 11.471 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.080 10.893 15.140 1.00 0.00 H new ATOM 1022 N CYS A 69 5.903 8.423 8.013 1.00 0.00 N ATOM 1023 CA CYS A 69 5.935 7.722 6.735 1.00 0.00 C ATOM 1024 C CYS A 69 6.917 6.556 6.778 1.00 0.00 C ATOM 1025 O CYS A 69 6.607 5.451 6.330 1.00 0.00 O ATOM 1026 CB CYS A 69 6.319 8.686 5.611 1.00 0.00 C ATOM 1027 SG CYS A 69 4.976 9.774 5.080 1.00 0.00 S ATOM 0 H CYS A 69 6.029 9.433 7.944 1.00 0.00 H new ATOM 0 HA CYS A 69 4.938 7.326 6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.158 9.298 5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.665 8.108 4.754 1.00 0.00 H new ATOM 0 HG CYS A 69 3.834 9.188 5.289 1.00 0.00 H new ATOM 1033 N THR A 70 8.104 6.808 7.320 1.00 0.00 N ATOM 1034 CA THR A 70 9.133 5.781 7.420 1.00 0.00 C ATOM 1035 C THR A 70 8.718 4.680 8.389 1.00 0.00 C ATOM 1036 O THR A 70 8.937 3.497 8.129 1.00 0.00 O ATOM 1037 CB THR A 70 10.477 6.375 7.880 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.964 7.301 6.903 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.507 5.276 8.101 1.00 0.00 C ATOM 0 H THR A 70 8.377 7.716 7.697 1.00 0.00 H new ATOM 0 HA THR A 70 9.254 5.357 6.423 1.00 0.00 H new ATOM 0 HB THR A 70 10.315 6.895 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.818 7.675 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.448 5.719 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.147 4.588 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.664 4.732 7.170 1.00 0.00 H new ATOM 1047 N GLU A 71 8.118 5.077 9.507 1.00 0.00 N ATOM 1048 CA GLU A 71 7.673 4.122 10.515 1.00 0.00 C ATOM 1049 C GLU A 71 6.622 3.176 9.942 1.00 0.00 C ATOM 1050 O GLU A 71 6.808 1.958 9.931 1.00 0.00 O ATOM 1051 CB GLU A 71 7.104 4.858 11.730 1.00 0.00 C ATOM 1052 CG GLU A 71 6.555 3.930 12.801 1.00 0.00 C ATOM 1053 CD GLU A 71 7.556 2.872 13.226 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.729 3.228 13.465 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.166 1.690 13.318 1.00 0.00 O ATOM 0 H GLU A 71 7.929 6.053 9.737 1.00 0.00 H new ATOM 0 HA GLU A 71 8.536 3.533 10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.885 5.480 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.310 5.528 11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.262 4.518 13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.654 3.443 12.428 1.00 0.00 H new ATOM 1062 N TYR A 72 5.520 3.743 9.467 1.00 0.00 N ATOM 1063 CA TYR A 72 4.437 2.951 8.895 1.00 0.00 C ATOM 1064 C TYR A 72 4.936 2.117 7.719 1.00 0.00 C ATOM 1065 O TYR A 72 4.548 0.959 7.555 1.00 0.00 O ATOM 1066 CB TYR A 72 3.296 3.862 8.440 1.00 0.00 C ATOM 1067 CG TYR A 72 2.726 4.718 9.549 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.441 4.175 10.796 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.473 6.069 9.349 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.920 4.953 11.811 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.953 6.855 10.360 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.678 6.293 11.589 1.00 0.00 C ATOM 1073 OH TYR A 72 1.159 7.072 12.597 1.00 0.00 O ATOM 0 H TYR A 72 5.352 4.749 9.466 1.00 0.00 H new ATOM 0 HA TYR A 72 4.068 2.275 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.656 4.510 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.499 3.249 8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.630 3.127 10.974 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.686 6.513 8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.703 4.515 12.774 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.763 7.904 10.188 1.00 0.00 H new ATOM 0 HH TYR A 72 1.050 7.992 12.277 1.00 0.00 H new ATOM 1083 N LEU A 73 5.799 2.712 6.903 1.00 0.00 N ATOM 1084 CA LEU A 73 6.353 2.025 5.742 1.00 0.00 C ATOM 1085 C LEU A 73 7.055 0.736 6.156 1.00 0.00 C ATOM 1086 O LEU A 73 6.845 -0.318 5.554 1.00 0.00 O ATOM 1087 CB LEU A 73 7.333 2.939 5.004 1.00 0.00 C ATOM 1088 CG LEU A 73 6.712 3.959 4.050 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.713 5.053 3.711 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.219 3.273 2.783 1.00 0.00 C ATOM 0 H LEU A 73 6.130 3.669 7.024 1.00 0.00 H new ATOM 0 HA LEU A 73 5.530 1.770 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.924 3.477 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.024 2.315 4.437 1.00 0.00 H new ATOM 0 HG LEU A 73 5.858 4.419 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.252 5.770 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.017 5.564 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.588 4.611 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.780 4.014 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.056 2.786 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.467 2.527 3.042 1.00 0.00 H new ATOM 1102 N ASP A 74 7.888 0.826 7.187 1.00 0.00 N ATOM 1103 CA ASP A 74 8.618 -0.334 7.684 1.00 0.00 C ATOM 1104 C ASP A 74 7.658 -1.405 8.191 1.00 0.00 C ATOM 1105 O ASP A 74 7.843 -2.593 7.930 1.00 0.00 O ATOM 1106 CB ASP A 74 9.577 0.081 8.802 1.00 0.00 C ATOM 1107 CG ASP A 74 10.659 -0.952 9.049 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.407 -1.267 8.099 1.00 0.00 O ATOM 1109 OD2 ASP A 74 10.759 -1.444 10.192 1.00 0.00 O ATOM 0 H ASP A 74 8.074 1.691 7.695 1.00 0.00 H new ATOM 0 HA ASP A 74 9.194 -0.751 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.040 1.034 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.013 0.239 9.721 1.00 0.00 H new ATOM 1114 N ARG A 75 6.631 -0.975 8.918 1.00 0.00 N ATOM 1115 CA ARG A 75 5.643 -1.897 9.465 1.00 0.00 C ATOM 1116 C ARG A 75 4.982 -2.707 8.353 1.00 0.00 C ATOM 1117 O ARG A 75 4.950 -3.936 8.402 1.00 0.00 O ATOM 1118 CB ARG A 75 4.579 -1.130 10.253 1.00 0.00 C ATOM 1119 CG ARG A 75 3.402 -1.990 10.682 1.00 0.00 C ATOM 1120 CD ARG A 75 3.809 -3.004 11.740 1.00 0.00 C ATOM 1121 NE ARG A 75 2.700 -3.343 12.628 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.857 -3.939 13.804 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.071 -4.261 14.232 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.799 -4.216 14.556 1.00 0.00 N ATOM 0 H ARG A 75 6.462 0.006 9.141 1.00 0.00 H new ATOM 0 HA ARG A 75 6.157 -2.585 10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.040 -0.692 11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.212 -0.304 9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.608 -1.353 11.073 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.995 -2.511 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.174 -3.909 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.635 -2.603 12.328 1.00 0.00 H new ATOM 0 HE ARG A 75 1.753 -3.109 12.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.887 -4.051 13.657 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.188 -4.719 15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.864 -3.971 14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.921 -4.674 15.459 1.00 0.00 H new ATOM 1138 N ALA A 76 4.456 -2.009 7.352 1.00 0.00 N ATOM 1139 CA ALA A 76 3.797 -2.662 6.228 1.00 0.00 C ATOM 1140 C ALA A 76 4.725 -3.671 5.559 1.00 0.00 C ATOM 1141 O ALA A 76 4.343 -4.816 5.321 1.00 0.00 O ATOM 1142 CB ALA A 76 3.324 -1.627 5.219 1.00 0.00 C ATOM 0 H ALA A 76 4.474 -0.991 7.297 1.00 0.00 H new ATOM 0 HA ALA A 76 2.931 -3.202 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.834 -2.129 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.619 -0.947 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.179 -1.061 4.850 1.00 0.00 H new ATOM 1148 N GLU A 77 5.945 -3.236 5.257 1.00 0.00 N ATOM 1149 CA GLU A 77 6.926 -4.102 4.614 1.00 0.00 C ATOM 1150 C GLU A 77 6.800 -5.536 5.118 1.00 0.00 C ATOM 1151 O GLU A 77 6.703 -6.478 4.331 1.00 0.00 O ATOM 1152 CB GLU A 77 8.343 -3.582 4.869 1.00 0.00 C ATOM 1153 CG GLU A 77 8.761 -2.467 3.925 1.00 0.00 C ATOM 1154 CD GLU A 77 10.257 -2.444 3.678 1.00 0.00 C ATOM 1155 OE1 GLU A 77 11.006 -2.072 4.606 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.679 -2.796 2.556 1.00 0.00 O ATOM 0 H GLU A 77 6.277 -2.290 5.447 1.00 0.00 H new ATOM 0 HA GLU A 77 6.731 -4.095 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.409 -3.222 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.047 -4.409 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.241 -2.586 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.450 -1.508 4.340 1.00 0.00 H new ATOM 1163 N LYS A 78 6.803 -5.696 6.437 1.00 0.00 N ATOM 1164 CA LYS A 78 6.689 -7.014 7.050 1.00 0.00 C ATOM 1165 C LYS A 78 5.384 -7.692 6.642 1.00 0.00 C ATOM 1166 O LYS A 78 5.393 -8.768 6.043 1.00 0.00 O ATOM 1167 CB LYS A 78 6.761 -6.899 8.574 1.00 0.00 C ATOM 1168 CG LYS A 78 8.178 -6.782 9.108 1.00 0.00 C ATOM 1169 CD LYS A 78 8.847 -8.142 9.218 1.00 0.00 C ATOM 1170 CE LYS A 78 10.148 -8.063 10.002 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.311 -7.770 9.119 1.00 0.00 N ATOM 0 H LYS A 78 6.883 -4.928 7.103 1.00 0.00 H new ATOM 0 HA LYS A 78 7.521 -7.624 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.189 -6.027 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.285 -7.773 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.764 -6.140 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.160 -6.304 10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.170 -8.843 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.046 -8.532 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.066 -7.288 10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.316 -9.006 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.178 -7.724 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.405 -8.523 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.163 -6.858 8.641 1.00 0.00 H new ATOM 1185 N LEU A 79 4.265 -7.055 6.969 1.00 0.00 N ATOM 1186 CA LEU A 79 2.952 -7.596 6.635 1.00 0.00 C ATOM 1187 C LEU A 79 2.981 -8.301 5.283 1.00 0.00 C ATOM 1188 O LEU A 79 2.240 -9.257 5.053 1.00 0.00 O ATOM 1189 CB LEU A 79 1.908 -6.478 6.617 1.00 0.00 C ATOM 1190 CG LEU A 79 1.567 -5.857 7.972 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.484 -4.800 7.818 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.129 -6.931 8.957 1.00 0.00 C ATOM 0 H LEU A 79 4.240 -6.164 7.465 1.00 0.00 H new ATOM 0 HA LEU A 79 2.682 -8.325 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.263 -5.687 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.991 -6.872 6.179 1.00 0.00 H new ATOM 0 HG LEU A 79 2.463 -5.376 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.255 -4.369 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.834 -4.015 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.414 -5.257 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.890 -6.470 9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.247 -7.441 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.935 -7.652 9.092 1.00 0.00 H new ATOM 1204 N LYS A 80 3.844 -7.825 4.391 1.00 0.00 N ATOM 1205 CA LYS A 80 3.974 -8.411 3.063 1.00 0.00 C ATOM 1206 C LYS A 80 4.706 -9.747 3.127 1.00 0.00 C ATOM 1207 O LYS A 80 4.217 -10.758 2.623 1.00 0.00 O ATOM 1208 CB LYS A 80 4.719 -7.453 2.131 1.00 0.00 C ATOM 1209 CG LYS A 80 4.046 -6.099 1.985 1.00 0.00 C ATOM 1210 CD LYS A 80 4.870 -5.157 1.124 1.00 0.00 C ATOM 1211 CE LYS A 80 4.352 -3.729 1.208 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.915 -3.002 2.379 1.00 0.00 N ATOM 0 H LYS A 80 4.464 -7.034 4.565 1.00 0.00 H new ATOM 0 HA LYS A 80 2.972 -8.584 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.731 -7.307 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.808 -7.913 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.059 -6.228 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.898 -5.657 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.912 -5.187 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.845 -5.494 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.608 -3.196 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.264 -3.741 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.415 -2.098 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.798 -3.580 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.926 -2.819 2.221 1.00 0.00 H new ATOM 1226 N GLU A 81 5.880 -9.745 3.750 1.00 0.00 N ATOM 1227 CA GLU A 81 6.679 -10.958 3.880 1.00 0.00 C ATOM 1228 C GLU A 81 5.941 -12.009 4.703 1.00 0.00 C ATOM 1229 O GLU A 81 6.281 -13.192 4.669 1.00 0.00 O ATOM 1230 CB GLU A 81 8.027 -10.640 4.529 1.00 0.00 C ATOM 1231 CG GLU A 81 7.987 -10.638 6.048 1.00 0.00 C ATOM 1232 CD GLU A 81 9.318 -10.257 6.666 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.019 -9.403 6.084 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.658 -10.812 7.731 1.00 0.00 O ATOM 0 H GLU A 81 6.299 -8.917 4.173 1.00 0.00 H new ATOM 0 HA GLU A 81 6.851 -11.359 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.763 -11.371 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.366 -9.664 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.221 -9.941 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.696 -11.627 6.401 1.00 0.00 H new ATOM 1241 N TYR A 82 4.929 -11.570 5.443 1.00 0.00 N ATOM 1242 CA TYR A 82 4.144 -12.471 6.278 1.00 0.00 C ATOM 1243 C TYR A 82 2.887 -12.934 5.548 1.00 0.00 C ATOM 1244 O TYR A 82 2.418 -14.056 5.745 1.00 0.00 O ATOM 1245 CB TYR A 82 3.761 -11.782 7.589 1.00 0.00 C ATOM 1246 CG TYR A 82 2.486 -12.314 8.203 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.248 -12.015 7.648 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.519 -13.116 9.337 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.080 -12.498 8.205 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.356 -13.605 9.900 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.139 -13.292 9.331 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.022 -13.776 9.889 1.00 0.00 O ATOM 0 H TYR A 82 4.633 -10.595 5.482 1.00 0.00 H new ATOM 0 HA TYR A 82 4.756 -13.345 6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.576 -11.901 8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.649 -10.713 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.198 -11.394 6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.470 -13.361 9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.874 -12.255 7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.399 -14.229 10.781 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.805 -14.319 10.676 1.00 0.00 H new ATOM 1262 N LEU A 83 2.346 -12.062 4.704 1.00 0.00 N ATOM 1263 CA LEU A 83 1.144 -12.380 3.942 1.00 0.00 C ATOM 1264 C LEU A 83 1.466 -13.310 2.777 1.00 0.00 C ATOM 1265 O LEU A 83 0.623 -14.095 2.343 1.00 0.00 O ATOM 1266 CB LEU A 83 0.493 -11.098 3.420 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.269 -10.264 4.451 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.423 -8.830 3.969 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.630 -10.882 4.736 1.00 0.00 C ATOM 0 H LEU A 83 2.721 -11.129 4.530 1.00 0.00 H new ATOM 0 HA LEU A 83 0.447 -12.890 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.270 -10.473 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.195 -11.364 2.618 1.00 0.00 H new ATOM 0 HG LEU A 83 0.305 -10.254 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.968 -8.252 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.562 -8.390 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.974 -8.819 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.158 -10.275 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.211 -10.923 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.497 -11.891 5.126 1.00 0.00 H new ATOM 1281 N LYS A 84 2.694 -13.219 2.277 1.00 0.00 N ATOM 1282 CA LYS A 84 3.131 -14.054 1.164 1.00 0.00 C ATOM 1283 C LYS A 84 3.544 -15.439 1.653 1.00 0.00 C ATOM 1284 O LYS A 84 3.250 -16.447 1.012 1.00 0.00 O ATOM 1285 CB LYS A 84 4.299 -13.392 0.431 1.00 0.00 C ATOM 1286 CG LYS A 84 5.560 -13.280 1.270 1.00 0.00 C ATOM 1287 CD LYS A 84 6.748 -12.831 0.436 1.00 0.00 C ATOM 1288 CE LYS A 84 6.584 -11.396 -0.041 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.532 -11.065 -1.141 1.00 0.00 N ATOM 0 H LYS A 84 3.404 -12.575 2.625 1.00 0.00 H new ATOM 0 HA LYS A 84 2.294 -14.165 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.522 -13.963 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.997 -12.395 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.396 -12.571 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.780 -14.244 1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.661 -12.918 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.860 -13.491 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.561 -11.242 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.745 -10.715 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.388 -10.079 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.509 -11.187 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.361 -11.698 -1.948 1.00 0.00 H new ATOM 1303 N ASN A 85 4.225 -15.480 2.793 1.00 0.00 N ATOM 1304 CA ASN A 85 4.677 -16.742 3.369 1.00 0.00 C ATOM 1305 C ASN A 85 3.490 -17.613 3.770 1.00 0.00 C ATOM 1306 O ASN A 85 3.534 -18.837 3.647 1.00 0.00 O ATOM 1307 CB ASN A 85 5.567 -16.482 4.585 1.00 0.00 C ATOM 1308 CG ASN A 85 6.226 -17.747 5.100 1.00 0.00 C ATOM 1309 OD1 ASN A 85 5.701 -18.847 4.929 1.00 0.00 O ATOM 1310 ND2 ASN A 85 7.382 -17.595 5.736 1.00 0.00 N ATOM 0 H ASN A 85 4.476 -14.654 3.337 1.00 0.00 H new ATOM 0 HA ASN A 85 5.254 -17.272 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.336 -15.757 4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.970 -16.037 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.872 -18.410 6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.780 -16.663 5.855 1.00 0.00 H new ATOM 1317 N LYS A 86 2.429 -16.973 4.250 1.00 0.00 N ATOM 1318 CA LYS A 86 1.228 -17.687 4.668 1.00 0.00 C ATOM 1319 C LYS A 86 0.659 -18.513 3.519 1.00 0.00 C ATOM 1320 O LYS A 86 0.520 -19.730 3.628 1.00 0.00 O ATOM 1321 CB LYS A 86 0.173 -16.700 5.173 1.00 0.00 C ATOM 1322 CG LYS A 86 -0.961 -17.361 5.937 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.913 -16.332 6.522 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.488 -15.912 7.921 1.00 0.00 C ATOM 1325 NZ LYS A 86 -2.639 -15.413 8.724 1.00 0.00 N ATOM 0 H LYS A 86 2.376 -15.960 4.359 1.00 0.00 H new ATOM 0 HA LYS A 86 1.501 -18.363 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.654 -15.965 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.241 -16.157 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.509 -18.028 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.551 -17.976 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.948 -15.457 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.921 -16.745 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.030 -16.759 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.729 -15.133 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.304 -14.703 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.342 -14.980 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.075 -16.206 9.235 1.00 0.00 H new ATOM 1339 N GLU A 87 0.333 -17.841 2.418 1.00 0.00 N ATOM 1340 CA GLU A 87 -0.221 -18.515 1.250 1.00 0.00 C ATOM 1341 C GLU A 87 0.447 -19.870 1.036 1.00 0.00 C ATOM 1342 O GLU A 87 1.671 -19.965 0.945 1.00 0.00 O ATOM 1343 CB GLU A 87 -0.047 -17.646 0.002 1.00 0.00 C ATOM 1344 CG GLU A 87 -0.549 -18.303 -1.272 1.00 0.00 C ATOM 1345 CD GLU A 87 -0.010 -17.637 -2.523 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -0.058 -16.392 -2.600 1.00 0.00 O ATOM 1347 OE2 GLU A 87 0.460 -18.361 -3.426 1.00 0.00 O ATOM 0 H GLU A 87 0.443 -16.833 2.311 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.284 -18.677 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.577 -16.705 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.009 -17.403 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.261 -19.354 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.638 -18.271 -1.288 1.00 0.00 H new ATOM 1354 N LYS A 88 -0.367 -20.918 0.956 1.00 0.00 N ATOM 1355 CA LYS A 88 0.143 -22.269 0.752 1.00 0.00 C ATOM 1356 C LYS A 88 0.968 -22.352 -0.529 1.00 0.00 C ATOM 1357 O LYS A 88 0.869 -21.488 -1.400 1.00 0.00 O ATOM 1358 CB LYS A 88 -1.015 -23.269 0.691 1.00 0.00 C ATOM 1359 CG LYS A 88 -0.633 -24.669 1.139 1.00 0.00 C ATOM 1360 CD LYS A 88 -1.761 -25.658 0.898 1.00 0.00 C ATOM 1361 CE LYS A 88 -2.906 -25.446 1.877 1.00 0.00 C ATOM 1362 NZ LYS A 88 -2.562 -25.924 3.245 1.00 0.00 N ATOM 0 H LYS A 88 -1.383 -20.857 1.029 1.00 0.00 H new ATOM 0 HA LYS A 88 0.787 -22.519 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.831 -22.906 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.392 -23.314 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.258 -24.994 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.379 -24.656 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.129 -25.551 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.382 -26.675 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.159 -24.387 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.791 -25.973 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.279 -26.605 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.630 -26.385 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.536 -25.116 3.899 1.00 0.00 H new ATOM 1376 N LYS A 89 1.780 -23.397 -0.637 1.00 0.00 N ATOM 1377 CA LYS A 89 2.621 -23.596 -1.812 1.00 0.00 C ATOM 1378 C LYS A 89 1.919 -23.102 -3.072 1.00 0.00 C ATOM 1379 O LYS A 89 0.834 -23.571 -3.414 1.00 0.00 O ATOM 1380 CB LYS A 89 2.982 -25.075 -1.962 1.00 0.00 C ATOM 1381 CG LYS A 89 3.961 -25.572 -0.914 1.00 0.00 C ATOM 1382 CD LYS A 89 4.227 -27.061 -1.060 1.00 0.00 C ATOM 1383 CE LYS A 89 5.413 -27.501 -0.215 1.00 0.00 C ATOM 1384 NZ LYS A 89 5.410 -28.972 0.021 1.00 0.00 N ATOM 0 H LYS A 89 1.874 -24.121 0.076 1.00 0.00 H new ATOM 0 HA LYS A 89 3.535 -23.018 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.070 -25.670 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.409 -25.237 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.899 -25.024 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.565 -25.368 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.340 -27.621 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.418 -27.297 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.340 -27.215 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.391 -26.979 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.233 -29.232 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.537 -29.242 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.457 -29.470 -0.891 1.00 0.00 H new ATOM 1398 N ALA A 90 2.546 -22.153 -3.760 1.00 0.00 N ATOM 1399 CA ALA A 90 1.982 -21.599 -4.985 1.00 0.00 C ATOM 1400 C ALA A 90 2.077 -22.597 -6.134 1.00 0.00 C ATOM 1401 O ALA A 90 2.830 -23.568 -6.063 1.00 0.00 O ATOM 1402 CB ALA A 90 2.688 -20.301 -5.351 1.00 0.00 C ATOM 0 H ALA A 90 3.444 -21.752 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 90 0.927 -21.389 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.257 -19.898 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.564 -19.579 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.750 -20.495 -5.504 1.00 0.00 H new ATOM 1408 N GLN A 91 1.309 -22.351 -7.191 1.00 0.00 N ATOM 1409 CA GLN A 91 1.307 -23.230 -8.354 1.00 0.00 C ATOM 1410 C GLN A 91 2.712 -23.746 -8.649 1.00 0.00 C ATOM 1411 O GLN A 91 3.703 -23.062 -8.391 1.00 0.00 O ATOM 1412 CB GLN A 91 0.754 -22.493 -9.575 1.00 0.00 C ATOM 1413 CG GLN A 91 1.591 -21.295 -9.993 1.00 0.00 C ATOM 1414 CD GLN A 91 0.794 -20.273 -10.780 1.00 0.00 C ATOM 1415 OE1 GLN A 91 0.673 -20.370 -12.001 1.00 0.00 O ATOM 1416 NE2 GLN A 91 0.246 -19.285 -10.082 1.00 0.00 N ATOM 0 H GLN A 91 0.681 -21.551 -7.266 1.00 0.00 H new ATOM 0 HA GLN A 91 0.666 -24.083 -8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.689 -23.190 -10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.261 -22.159 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.008 -20.820 -9.105 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.432 -21.637 -10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.372 -19.244 -9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.301 -18.567 -10.557 1.00 0.00 H new ATOM 1425 N LYS A 92 2.790 -24.956 -9.191 1.00 0.00 N ATOM 1426 CA LYS A 92 4.073 -25.565 -9.523 1.00 0.00 C ATOM 1427 C LYS A 92 5.042 -24.525 -10.075 1.00 0.00 C ATOM 1428 O LYS A 92 4.656 -23.602 -10.793 1.00 0.00 O ATOM 1429 CB LYS A 92 3.878 -26.689 -10.543 1.00 0.00 C ATOM 1430 CG LYS A 92 2.928 -27.777 -10.076 1.00 0.00 C ATOM 1431 CD LYS A 92 3.126 -29.065 -10.858 1.00 0.00 C ATOM 1432 CE LYS A 92 2.138 -30.138 -10.426 1.00 0.00 C ATOM 1433 NZ LYS A 92 2.480 -30.702 -9.091 1.00 0.00 N ATOM 0 H LYS A 92 1.979 -25.535 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 92 4.497 -25.981 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.500 -26.263 -11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.846 -27.136 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.085 -27.967 -9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.899 -27.436 -10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.007 -28.867 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.144 -29.427 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.134 -29.716 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.125 -30.938 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.783 -31.430 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.428 -31.128 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.468 -29.943 -8.380 1.00 0.00 H new ATOM 1447 N PRO A 93 6.331 -24.676 -9.736 1.00 0.00 N ATOM 1448 CA PRO A 93 7.381 -23.760 -10.189 1.00 0.00 C ATOM 1449 C PRO A 93 7.658 -23.889 -11.683 1.00 0.00 C ATOM 1450 O PRO A 93 7.282 -24.879 -12.311 1.00 0.00 O ATOM 1451 CB PRO A 93 8.605 -24.195 -9.379 1.00 0.00 C ATOM 1452 CG PRO A 93 8.350 -25.625 -9.047 1.00 0.00 C ATOM 1453 CD PRO A 93 6.861 -25.754 -8.884 1.00 0.00 C ATOM 0 HA PRO A 93 7.103 -22.716 -10.041 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.523 -24.080 -9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.718 -23.593 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.714 -26.280 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.869 -25.912 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.505 -26.733 -9.206 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.558 -25.630 -7.844 1.00 0.00 H new ATOM 1461 N VAL A 94 8.318 -22.883 -12.247 1.00 0.00 N ATOM 1462 CA VAL A 94 8.647 -22.885 -13.668 1.00 0.00 C ATOM 1463 C VAL A 94 10.135 -23.133 -13.887 1.00 0.00 C ATOM 1464 O VAL A 94 10.933 -22.196 -13.931 1.00 0.00 O ATOM 1465 CB VAL A 94 8.256 -21.553 -14.336 1.00 0.00 C ATOM 1466 CG1 VAL A 94 8.734 -21.519 -15.779 1.00 0.00 C ATOM 1467 CG2 VAL A 94 6.752 -21.340 -14.259 1.00 0.00 C ATOM 0 H VAL A 94 8.636 -22.056 -11.742 1.00 0.00 H new ATOM 0 HA VAL A 94 8.076 -23.694 -14.124 1.00 0.00 H new ATOM 0 HB VAL A 94 8.743 -20.740 -13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.449 -20.571 -16.235 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.819 -21.623 -15.805 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.278 -22.339 -16.333 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.494 -20.394 -14.736 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.242 -22.156 -14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.441 -21.317 -13.215 1.00 0.00 H new ATOM 1477 N LYS A 95 10.503 -24.402 -14.024 1.00 0.00 N ATOM 1478 CA LYS A 95 11.896 -24.777 -14.241 1.00 0.00 C ATOM 1479 C LYS A 95 11.999 -25.948 -15.213 1.00 0.00 C ATOM 1480 O LYS A 95 11.357 -26.980 -15.025 1.00 0.00 O ATOM 1481 CB LYS A 95 12.560 -25.143 -12.912 1.00 0.00 C ATOM 1482 CG LYS A 95 12.883 -23.941 -12.042 1.00 0.00 C ATOM 1483 CD LYS A 95 14.096 -23.187 -12.561 1.00 0.00 C ATOM 1484 CE LYS A 95 14.696 -22.290 -11.489 1.00 0.00 C ATOM 1485 NZ LYS A 95 15.678 -21.326 -12.058 1.00 0.00 N ATOM 0 H LYS A 95 9.856 -25.189 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 95 12.413 -23.921 -14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.902 -25.814 -12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.480 -25.692 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.023 -23.272 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.068 -24.270 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.848 -23.898 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.810 -22.584 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.899 -21.742 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.186 -22.905 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.064 -20.733 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.452 -21.848 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.205 -20.722 -12.760 1.00 0.00 H new ATOM 1499 N GLU A 96 12.813 -25.779 -16.251 1.00 0.00 N ATOM 1500 CA GLU A 96 13.000 -26.824 -17.251 1.00 0.00 C ATOM 1501 C GLU A 96 11.661 -27.264 -17.835 1.00 0.00 C ATOM 1502 O GLU A 96 11.367 -28.456 -17.911 1.00 0.00 O ATOM 1503 CB GLU A 96 13.721 -28.025 -16.638 1.00 0.00 C ATOM 1504 CG GLU A 96 15.235 -27.890 -16.635 1.00 0.00 C ATOM 1505 CD GLU A 96 15.713 -26.692 -15.838 1.00 0.00 C ATOM 1506 OE1 GLU A 96 15.442 -26.646 -14.619 1.00 0.00 O ATOM 1507 OE2 GLU A 96 16.356 -25.802 -16.431 1.00 0.00 O ATOM 0 H GLU A 96 13.352 -24.930 -16.421 1.00 0.00 H new ATOM 0 HA GLU A 96 13.611 -26.415 -18.056 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.375 -28.162 -15.613 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.446 -28.924 -17.190 1.00 0.00 H new ATOM 0 HG2 GLU A 96 15.676 -28.797 -16.220 1.00 0.00 H new ATOM 0 HG3 GLU A 96 15.590 -27.804 -17.662 1.00 0.00 H new ATOM 1514 N GLY A 97 10.851 -26.292 -18.245 1.00 0.00 N ATOM 1515 CA GLY A 97 9.553 -26.599 -18.816 1.00 0.00 C ATOM 1516 C GLY A 97 9.096 -25.553 -19.813 1.00 0.00 C ATOM 1517 O GLY A 97 8.838 -25.866 -20.975 1.00 0.00 O ATOM 0 H GLY A 97 11.071 -25.297 -18.192 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.597 -27.571 -19.308 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.817 -26.680 -18.016 1.00 0.00 H new ATOM 1521 N GLN A 98 8.995 -24.308 -19.359 1.00 0.00 N ATOM 1522 CA GLN A 98 8.564 -23.214 -20.220 1.00 0.00 C ATOM 1523 C GLN A 98 9.445 -21.985 -20.022 1.00 0.00 C ATOM 1524 O GLN A 98 9.869 -21.668 -18.910 1.00 0.00 O ATOM 1525 CB GLN A 98 7.103 -22.859 -19.938 1.00 0.00 C ATOM 1526 CG GLN A 98 6.621 -21.626 -20.684 1.00 0.00 C ATOM 1527 CD GLN A 98 5.409 -20.987 -20.034 1.00 0.00 C ATOM 1528 OE1 GLN A 98 4.649 -21.648 -19.325 1.00 0.00 O ATOM 1529 NE2 GLN A 98 5.222 -19.694 -20.272 1.00 0.00 N ATOM 0 H GLN A 98 9.206 -24.032 -18.400 1.00 0.00 H new ATOM 0 HA GLN A 98 8.657 -23.543 -21.255 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.473 -23.706 -20.209 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.977 -22.698 -18.867 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.429 -20.896 -20.733 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.376 -21.900 -21.710 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.877 -19.185 -20.866 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.424 -19.210 -19.861 1.00 0.00 H new ATOM 1538 N PRO A 99 9.729 -21.275 -21.124 1.00 0.00 N ATOM 1539 CA PRO A 99 10.562 -20.070 -21.097 1.00 0.00 C ATOM 1540 C PRO A 99 9.869 -18.901 -20.404 1.00 0.00 C ATOM 1541 O PRO A 99 9.119 -18.153 -21.030 1.00 0.00 O ATOM 1542 CB PRO A 99 10.783 -19.757 -22.579 1.00 0.00 C ATOM 1543 CG PRO A 99 9.614 -20.366 -23.273 1.00 0.00 C ATOM 1544 CD PRO A 99 9.257 -21.595 -22.482 1.00 0.00 C ATOM 0 HA PRO A 99 11.485 -20.226 -20.538 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.831 -18.682 -22.754 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.721 -20.181 -22.938 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.776 -19.669 -23.311 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.862 -20.623 -24.303 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.184 -21.787 -22.500 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.747 -22.484 -22.879 1.00 0.00 H new ATOM 1552 N SER A 100 10.125 -18.751 -19.108 1.00 0.00 N ATOM 1553 CA SER A 100 9.523 -17.675 -18.330 1.00 0.00 C ATOM 1554 C SER A 100 10.195 -17.549 -16.966 1.00 0.00 C ATOM 1555 O SER A 100 10.691 -18.522 -16.398 1.00 0.00 O ATOM 1556 CB SER A 100 8.024 -17.924 -18.151 1.00 0.00 C ATOM 1557 OG SER A 100 7.294 -17.472 -19.278 1.00 0.00 O ATOM 0 H SER A 100 10.745 -19.361 -18.575 1.00 0.00 H new ATOM 0 HA SER A 100 9.667 -16.742 -18.874 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.844 -18.989 -18.001 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.671 -17.412 -17.256 1.00 0.00 H new ATOM 0 HG SER A 100 7.892 -17.409 -20.052 1.00 0.00 H new ATOM 1563 N PRO A 101 10.214 -16.320 -16.428 1.00 0.00 N ATOM 1564 CA PRO A 101 10.822 -16.036 -15.125 1.00 0.00 C ATOM 1565 C PRO A 101 10.026 -16.637 -13.970 1.00 0.00 C ATOM 1566 O PRO A 101 8.805 -16.764 -14.046 1.00 0.00 O ATOM 1567 CB PRO A 101 10.801 -14.508 -15.049 1.00 0.00 C ATOM 1568 CG PRO A 101 9.680 -14.099 -15.941 1.00 0.00 C ATOM 1569 CD PRO A 101 9.641 -15.114 -17.050 1.00 0.00 C ATOM 0 HA PRO A 101 11.819 -16.467 -15.038 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.639 -14.165 -14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.747 -14.082 -15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.736 -14.079 -15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.842 -13.096 -16.336 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.624 -15.287 -17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.224 -14.790 -17.912 1.00 0.00 H new ATOM 1577 N ALA A 102 10.727 -17.004 -12.903 1.00 0.00 N ATOM 1578 CA ALA A 102 10.086 -17.589 -11.732 1.00 0.00 C ATOM 1579 C ALA A 102 10.850 -17.245 -10.458 1.00 0.00 C ATOM 1580 O ALA A 102 12.074 -17.112 -10.474 1.00 0.00 O ATOM 1581 CB ALA A 102 9.972 -19.098 -11.891 1.00 0.00 C ATOM 0 H ALA A 102 11.739 -16.907 -12.825 1.00 0.00 H new ATOM 0 HA ALA A 102 9.084 -17.167 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.491 -19.522 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.376 -19.327 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.967 -19.528 -12.004 1.00 0.00 H new ATOM 1587 N ASP A 103 10.121 -17.103 -9.357 1.00 0.00 N ATOM 1588 CA ASP A 103 10.731 -16.775 -8.073 1.00 0.00 C ATOM 1589 C ASP A 103 9.951 -17.405 -6.924 1.00 0.00 C ATOM 1590 O ASP A 103 8.727 -17.521 -6.982 1.00 0.00 O ATOM 1591 CB ASP A 103 10.798 -15.258 -7.889 1.00 0.00 C ATOM 1592 CG ASP A 103 12.028 -14.650 -8.534 1.00 0.00 C ATOM 1593 OD1 ASP A 103 13.109 -15.267 -8.447 1.00 0.00 O ATOM 1594 OD2 ASP A 103 11.908 -13.557 -9.127 1.00 0.00 O ATOM 0 H ASP A 103 9.107 -17.210 -9.327 1.00 0.00 H new ATOM 0 HA ASP A 103 11.743 -17.179 -8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.905 -14.803 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.796 -15.024 -6.824 1.00 0.00 H new ATOM 1599 N GLU A 104 10.668 -17.812 -5.881 1.00 0.00 N ATOM 1600 CA GLU A 104 10.042 -18.432 -4.720 1.00 0.00 C ATOM 1601 C GLU A 104 10.883 -18.211 -3.465 1.00 0.00 C ATOM 1602 O GLU A 104 12.065 -18.555 -3.427 1.00 0.00 O ATOM 1603 CB GLU A 104 9.847 -19.931 -4.958 1.00 0.00 C ATOM 1604 CG GLU A 104 11.135 -20.670 -5.279 1.00 0.00 C ATOM 1605 CD GLU A 104 10.937 -22.169 -5.387 1.00 0.00 C ATOM 1606 OE1 GLU A 104 9.875 -22.593 -5.888 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.845 -22.918 -4.970 1.00 0.00 O ATOM 0 H GLU A 104 11.682 -17.723 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 104 9.069 -17.965 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.395 -20.375 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.144 -20.071 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.542 -20.293 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.873 -20.460 -4.505 1.00 0.00 H new ATOM 1614 N LYS A 105 10.265 -17.633 -2.441 1.00 0.00 N ATOM 1615 CA LYS A 105 10.954 -17.365 -1.184 1.00 0.00 C ATOM 1616 C LYS A 105 10.435 -18.275 -0.074 1.00 0.00 C ATOM 1617 O LYS A 105 9.286 -18.712 -0.104 1.00 0.00 O ATOM 1618 CB LYS A 105 10.774 -15.900 -0.782 1.00 0.00 C ATOM 1619 CG LYS A 105 11.708 -15.455 0.330 1.00 0.00 C ATOM 1620 CD LYS A 105 13.143 -15.342 -0.158 1.00 0.00 C ATOM 1621 CE LYS A 105 14.081 -14.920 0.962 1.00 0.00 C ATOM 1622 NZ LYS A 105 13.908 -13.485 1.321 1.00 0.00 N ATOM 0 H LYS A 105 9.288 -17.341 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 105 12.015 -17.568 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.937 -15.270 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.743 -15.743 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 105 11.378 -14.492 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.658 -16.166 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 105 13.467 -16.300 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 105 13.196 -14.618 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 105 13.898 -15.539 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 105 15.113 -15.096 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 14.577 -13.233 2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.090 -12.894 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.935 -13.325 1.653 1.00 0.00 H new ATOM 1636 N GLY A 106 11.291 -18.554 0.905 1.00 0.00 N ATOM 1637 CA GLY A 106 10.899 -19.409 2.010 1.00 0.00 C ATOM 1638 C GLY A 106 11.768 -20.646 2.123 1.00 0.00 C ATOM 1639 O GLY A 106 11.313 -21.758 1.857 1.00 0.00 O ATOM 0 H GLY A 106 12.248 -18.203 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.955 -18.844 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.859 -19.710 1.881 1.00 0.00 H new ATOM 1643 N ASN A 107 13.022 -20.452 2.517 1.00 0.00 N ATOM 1644 CA ASN A 107 13.958 -21.561 2.662 1.00 0.00 C ATOM 1645 C ASN A 107 13.469 -22.551 3.715 1.00 0.00 C ATOM 1646 O ASN A 107 13.294 -23.737 3.433 1.00 0.00 O ATOM 1647 CB ASN A 107 15.345 -21.040 3.041 1.00 0.00 C ATOM 1648 CG ASN A 107 16.434 -22.067 2.802 1.00 0.00 C ATOM 1649 OD1 ASN A 107 16.947 -22.198 1.691 1.00 0.00 O ATOM 1650 ND2 ASN A 107 16.793 -22.803 3.848 1.00 0.00 N ATOM 0 H ASN A 107 13.414 -19.537 2.742 1.00 0.00 H new ATOM 0 HA ASN A 107 14.021 -22.078 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.563 -20.142 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.347 -20.751 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.521 -23.511 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.341 -22.661 4.751 1.00 0.00 H new ATOM 1657 N ASP A 108 13.250 -22.056 4.928 1.00 0.00 N ATOM 1658 CA ASP A 108 12.780 -22.896 6.023 1.00 0.00 C ATOM 1659 C ASP A 108 11.289 -22.686 6.267 1.00 0.00 C ATOM 1660 O ASP A 108 10.884 -21.707 6.896 1.00 0.00 O ATOM 1661 CB ASP A 108 13.566 -22.593 7.300 1.00 0.00 C ATOM 1662 CG ASP A 108 13.233 -23.552 8.426 1.00 0.00 C ATOM 1663 OD1 ASP A 108 13.671 -24.720 8.360 1.00 0.00 O ATOM 1664 OD2 ASP A 108 12.535 -23.135 9.373 1.00 0.00 O ATOM 0 H ASP A 108 13.390 -21.077 5.178 1.00 0.00 H new ATOM 0 HA ASP A 108 12.941 -23.937 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 108 14.634 -22.644 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 108 13.354 -21.573 7.621 1.00 0.00 H new ATOM 1669 N SER A 109 10.476 -23.610 5.766 1.00 0.00 N ATOM 1670 CA SER A 109 9.029 -23.524 5.925 1.00 0.00 C ATOM 1671 C SER A 109 8.556 -24.409 7.074 1.00 0.00 C ATOM 1672 O SER A 109 9.102 -25.487 7.307 1.00 0.00 O ATOM 1673 CB SER A 109 8.327 -23.932 4.628 1.00 0.00 C ATOM 1674 OG SER A 109 8.589 -25.288 4.312 1.00 0.00 O ATOM 0 H SER A 109 10.795 -24.428 5.246 1.00 0.00 H new ATOM 0 HA SER A 109 8.774 -22.490 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.252 -23.780 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.664 -23.293 3.812 1.00 0.00 H new ATOM 0 HG SER A 109 8.128 -25.525 3.480 1.00 0.00 H new ATOM 1680 N ASP A 110 7.536 -23.945 7.787 1.00 0.00 N ATOM 1681 CA ASP A 110 6.986 -24.694 8.912 1.00 0.00 C ATOM 1682 C ASP A 110 5.780 -25.520 8.477 1.00 0.00 C ATOM 1683 O ASP A 110 5.727 -26.728 8.704 1.00 0.00 O ATOM 1684 CB ASP A 110 6.587 -23.742 10.040 1.00 0.00 C ATOM 1685 CG ASP A 110 5.928 -24.462 11.200 1.00 0.00 C ATOM 1686 OD1 ASP A 110 6.477 -25.490 11.650 1.00 0.00 O ATOM 1687 OD2 ASP A 110 4.863 -23.998 11.657 1.00 0.00 O ATOM 0 H ASP A 110 7.073 -23.054 7.607 1.00 0.00 H new ATOM 0 HA ASP A 110 7.757 -25.373 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 110 7.472 -23.217 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 110 5.904 -22.987 9.650 1.00 0.00 H new ATOM 1692 N GLY A 111 4.811 -24.859 7.850 1.00 0.00 N ATOM 1693 CA GLY A 111 3.617 -25.548 7.395 1.00 0.00 C ATOM 1694 C GLY A 111 2.344 -24.844 7.819 1.00 0.00 C ATOM 1695 O GLY A 111 1.615 -25.333 8.683 1.00 0.00 O ATOM 0 H GLY A 111 4.832 -23.859 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.639 -25.628 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.615 -26.564 7.789 1.00 0.00 H new ATOM 1699 N SER A 112 2.076 -23.692 7.213 1.00 0.00 N ATOM 1700 CA SER A 112 0.884 -22.917 7.537 1.00 0.00 C ATOM 1701 C SER A 112 -0.382 -23.704 7.209 1.00 0.00 C ATOM 1702 O SER A 112 -0.322 -24.774 6.607 1.00 0.00 O ATOM 1703 CB SER A 112 0.887 -21.593 6.772 1.00 0.00 C ATOM 1704 OG SER A 112 1.998 -20.793 7.140 1.00 0.00 O ATOM 0 H SER A 112 2.668 -23.275 6.495 1.00 0.00 H new ATOM 0 HA SER A 112 0.895 -22.710 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.915 -21.789 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.037 -21.051 6.973 1.00 0.00 H new ATOM 0 HG SER A 112 1.763 -19.846 7.049 1.00 0.00 H new ATOM 1710 N GLY A 113 -1.528 -23.163 7.612 1.00 0.00 N ATOM 1711 CA GLY A 113 -2.792 -23.826 7.353 1.00 0.00 C ATOM 1712 C GLY A 113 -3.449 -23.344 6.075 1.00 0.00 C ATOM 1713 O GLY A 113 -3.159 -22.257 5.575 1.00 0.00 O ATOM 0 H GLY A 113 -1.603 -22.278 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.628 -24.902 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.467 -23.655 8.192 1.00 0.00 H new ATOM 1717 N PRO A 114 -4.358 -24.164 5.526 1.00 0.00 N ATOM 1718 CA PRO A 114 -5.076 -23.836 4.291 1.00 0.00 C ATOM 1719 C PRO A 114 -6.075 -22.700 4.485 1.00 0.00 C ATOM 1720 O PRO A 114 -6.213 -22.164 5.584 1.00 0.00 O ATOM 1721 CB PRO A 114 -5.805 -25.137 3.948 1.00 0.00 C ATOM 1722 CG PRO A 114 -5.965 -25.837 5.254 1.00 0.00 C ATOM 1723 CD PRO A 114 -4.754 -25.474 6.069 1.00 0.00 C ATOM 0 HA PRO A 114 -4.402 -23.490 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.771 -24.939 3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -5.231 -25.739 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.881 -25.524 5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -6.032 -26.916 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.988 -25.414 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.959 -26.212 5.958 1.00 0.00 H new ATOM 1731 N SER A 115 -6.769 -22.338 3.411 1.00 0.00 N ATOM 1732 CA SER A 115 -7.753 -21.264 3.463 1.00 0.00 C ATOM 1733 C SER A 115 -8.543 -21.187 2.160 1.00 0.00 C ATOM 1734 O SER A 115 -7.973 -21.257 1.070 1.00 0.00 O ATOM 1735 CB SER A 115 -7.064 -19.925 3.734 1.00 0.00 C ATOM 1736 OG SER A 115 -8.013 -18.907 3.998 1.00 0.00 O ATOM 0 H SER A 115 -6.668 -22.773 2.494 1.00 0.00 H new ATOM 0 HA SER A 115 -8.446 -21.479 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 115 -6.388 -20.026 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 115 -6.456 -19.645 2.874 1.00 0.00 H new ATOM 0 HG SER A 115 -7.547 -18.062 4.170 1.00 0.00 H new ATOM 1742 N SER A 116 -9.859 -21.043 2.280 1.00 0.00 N ATOM 1743 CA SER A 116 -10.729 -20.961 1.113 1.00 0.00 C ATOM 1744 C SER A 116 -10.655 -22.242 0.289 1.00 0.00 C ATOM 1745 O SER A 116 -10.607 -22.202 -0.940 1.00 0.00 O ATOM 1746 CB SER A 116 -10.342 -19.761 0.246 1.00 0.00 C ATOM 1747 OG SER A 116 -11.280 -19.563 -0.798 1.00 0.00 O ATOM 0 H SER A 116 -10.346 -20.981 3.174 1.00 0.00 H new ATOM 0 HA SER A 116 -11.753 -20.833 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.286 -18.865 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.350 -19.919 -0.177 1.00 0.00 H new ATOM 0 HG SER A 116 -11.329 -20.370 -1.351 1.00 0.00 H new ATOM 1753 N GLY A 117 -10.646 -23.381 0.976 1.00 0.00 N ATOM 1754 CA GLY A 117 -10.578 -24.659 0.292 1.00 0.00 C ATOM 1755 C GLY A 117 -9.206 -25.297 0.391 1.00 0.00 C ATOM 1756 O GLY A 117 -9.071 -26.515 0.279 1.00 0.00 O ATOM 0 H GLY A 117 -10.685 -23.441 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.321 -25.335 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.836 -24.520 -0.758 1.00 0.00 H new TER 1760 GLY A 117