USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 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 67 ASN : amide:sc= -0.269 K(o=-2.7,f=-2.1) USER MOD Set 1.2: A 69 ASN : amide:sc= -2.47 K(o=-2.7,f=-2.1!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -170:sc=-0.00624 (180deg=-0.0554) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.0719 USER MOD Set 2.3: A 70 SER OG : rot -132:sc= -0.729 USER MOD Single : A 1 VAL N :NH3+ -120:sc= -1.72! (180deg=-2.39) USER MOD Single : A 2 SER OG : rot -150:sc= -0.318 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.55 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -145:sc= -1.87 (180deg=-3.17!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -36:sc= 0.317 USER MOD Single : A 22 ASN : amide:sc= -0.0283 K(o=-0.028,f=-0.78) USER MOD Single : A 25 HIS : no HD1:sc= -4.61 K(o=-4.6,f=-3.4!) USER MOD Single : A 28 MET CE :methyl -145:sc= -4.87 (180deg=-5.34!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 54 SER OG : rot -97:sc= -2.17! USER MOD Single : A 56 SER OG : rot -105:sc= 0.613 USER MOD Single : A 59 THR OG1 : rot -96:sc= 1.76 USER MOD Single : A 78 SER OG : rot 180:sc=2.42e-05 USER MOD Single : A 84 ASN : amide:sc= -5.74 K(o=-5.7,f=-19!) USER MOD Single : A 86 ASN : amide:sc= -4.06 K(o=-4.1,f=-8.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 83:sc= -0.642 USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.345) USER MOD Single : A 96 SER OG : rot 12:sc= 0.0684 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 117 ASN : amide:sc= -0.92 K(o=-0.92,f=-2.3!) USER MOD Single : A 120 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.189 -2.615 14.021 1.00 0.00 N ATOM 2 CA VAL A 1 90.823 -3.472 12.851 1.00 0.00 C ATOM 3 C VAL A 1 92.068 -4.134 12.250 1.00 0.00 C ATOM 4 O VAL A 1 93.187 -3.826 12.620 1.00 0.00 O ATOM 5 CB VAL A 1 90.159 -2.533 11.840 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.882 -1.951 12.449 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.119 -1.398 11.485 1.00 0.00 C ATOM 0 H1 VAL A 1 90.700 -2.961 14.871 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.217 -2.655 14.173 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.905 -1.632 13.834 1.00 0.00 H new ATOM 0 HA VAL A 1 90.154 -4.282 13.141 1.00 0.00 H new ATOM 0 HB VAL A 1 89.911 -3.090 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.408 -1.282 11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.196 -2.761 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.131 -1.395 13.353 1.00 0.00 H new ATOM 0 HG21 VAL A 1 90.644 -0.731 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.371 -0.839 12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.028 -1.813 11.050 1.00 0.00 H new ATOM 17 N SER A 2 91.873 -5.058 11.342 1.00 0.00 N ATOM 18 CA SER A 2 93.029 -5.769 10.719 1.00 0.00 C ATOM 19 C SER A 2 93.161 -5.409 9.237 1.00 0.00 C ATOM 20 O SER A 2 92.183 -5.183 8.552 1.00 0.00 O ATOM 21 CB SER A 2 92.695 -7.249 10.872 1.00 0.00 C ATOM 22 OG SER A 2 91.689 -7.606 9.933 1.00 0.00 O ATOM 0 H SER A 2 90.956 -5.351 11.004 1.00 0.00 H new ATOM 0 HA SER A 2 93.975 -5.499 11.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.588 -7.853 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.350 -7.452 11.886 1.00 0.00 H new ATOM 0 HG SER A 2 91.146 -8.336 10.297 1.00 0.00 H new ATOM 28 N ILE A 3 94.370 -5.372 8.744 1.00 0.00 N ATOM 29 CA ILE A 3 94.597 -5.046 7.307 1.00 0.00 C ATOM 30 C ILE A 3 95.164 -6.262 6.574 1.00 0.00 C ATOM 31 O ILE A 3 95.894 -7.050 7.139 1.00 0.00 O ATOM 32 CB ILE A 3 95.618 -3.903 7.304 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.913 -4.335 8.006 1.00 0.00 C ATOM 34 CG2 ILE A 3 95.031 -2.694 8.030 1.00 0.00 C ATOM 35 CD1 ILE A 3 98.042 -3.383 7.608 1.00 0.00 C ATOM 0 H ILE A 3 95.218 -5.556 9.281 1.00 0.00 H new ATOM 0 HA ILE A 3 93.672 -4.766 6.803 1.00 0.00 H new ATOM 0 HB ILE A 3 95.847 -3.642 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.776 -4.324 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.168 -5.357 7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.757 -1.881 8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.122 -2.371 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.794 -2.967 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.964 -3.685 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.183 -3.417 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.784 -2.367 7.908 1.00 0.00 H new ATOM 47 N SER A 4 94.838 -6.406 5.320 1.00 0.00 N ATOM 48 CA SER A 4 95.351 -7.550 4.518 1.00 0.00 C ATOM 49 C SER A 4 95.563 -7.074 3.082 1.00 0.00 C ATOM 50 O SER A 4 95.445 -5.896 2.798 1.00 0.00 O ATOM 51 CB SER A 4 94.260 -8.619 4.579 1.00 0.00 C ATOM 52 OG SER A 4 94.616 -9.599 5.544 1.00 0.00 O ATOM 0 H SER A 4 94.228 -5.768 4.809 1.00 0.00 H new ATOM 0 HA SER A 4 96.298 -7.942 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.304 -8.165 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.135 -9.084 3.601 1.00 0.00 H new ATOM 0 HG SER A 4 93.917 -10.285 5.587 1.00 0.00 H new ATOM 58 N TYR A 5 95.866 -7.965 2.179 1.00 0.00 N ATOM 59 CA TYR A 5 96.071 -7.541 0.761 1.00 0.00 C ATOM 60 C TYR A 5 95.505 -8.590 -0.200 1.00 0.00 C ATOM 61 O TYR A 5 95.494 -9.770 0.097 1.00 0.00 O ATOM 62 CB TYR A 5 97.590 -7.413 0.590 1.00 0.00 C ATOM 63 CG TYR A 5 98.270 -8.718 0.943 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.481 -9.686 -0.044 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.689 -8.958 2.259 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.110 -10.894 0.282 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.318 -10.163 2.584 1.00 0.00 C ATOM 68 CZ TYR A 5 99.529 -11.132 1.597 1.00 0.00 C ATOM 69 OH TYR A 5 100.150 -12.321 1.919 1.00 0.00 O ATOM 0 H TYR A 5 95.980 -8.963 2.357 1.00 0.00 H new ATOM 0 HA TYR A 5 95.560 -6.604 0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.825 -7.139 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.969 -6.614 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.159 -9.502 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.526 -8.211 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.272 -11.642 -0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.641 -10.346 3.598 1.00 0.00 H new ATOM 0 HH TYR A 5 100.377 -12.324 2.872 1.00 0.00 H new ATOM 79 N ASP A 6 95.040 -8.171 -1.355 1.00 0.00 N ATOM 80 CA ASP A 6 94.483 -9.148 -2.339 1.00 0.00 C ATOM 81 C ASP A 6 94.935 -8.779 -3.764 1.00 0.00 C ATOM 82 O ASP A 6 95.193 -7.625 -4.041 1.00 0.00 O ATOM 83 CB ASP A 6 92.957 -9.028 -2.211 1.00 0.00 C ATOM 84 CG ASP A 6 92.366 -10.374 -1.783 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.834 -10.916 -0.795 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.460 -10.841 -2.453 1.00 0.00 O ATOM 0 H ASP A 6 95.023 -7.196 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 6 94.825 -10.165 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.703 -8.260 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.526 -8.717 -3.163 1.00 0.00 H new ATOM 91 N PRO A 7 95.013 -9.768 -4.631 1.00 0.00 N ATOM 92 CA PRO A 7 95.432 -9.506 -6.027 1.00 0.00 C ATOM 93 C PRO A 7 94.247 -9.035 -6.890 1.00 0.00 C ATOM 94 O PRO A 7 94.391 -8.813 -8.077 1.00 0.00 O ATOM 95 CB PRO A 7 95.938 -10.862 -6.504 1.00 0.00 C ATOM 96 CG PRO A 7 95.235 -11.882 -5.657 1.00 0.00 C ATOM 97 CD PRO A 7 94.734 -11.194 -4.407 1.00 0.00 C ATOM 0 HA PRO A 7 96.180 -8.716 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 7 95.717 -11.012 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.019 -10.938 -6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.404 -12.325 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 7 95.914 -12.694 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.669 -11.371 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.246 -11.563 -3.519 1.00 0.00 H new ATOM 105 N ILE A 8 93.081 -8.882 -6.307 1.00 0.00 N ATOM 106 CA ILE A 8 91.890 -8.427 -7.093 1.00 0.00 C ATOM 107 C ILE A 8 91.954 -6.921 -7.373 1.00 0.00 C ATOM 108 O ILE A 8 91.094 -6.398 -8.047 1.00 0.00 O ATOM 109 CB ILE A 8 90.678 -8.789 -6.222 1.00 0.00 C ATOM 110 CG1 ILE A 8 90.520 -10.310 -6.186 1.00 0.00 C ATOM 111 CG2 ILE A 8 89.390 -8.154 -6.765 1.00 0.00 C ATOM 112 CD1 ILE A 8 90.287 -10.867 -7.599 1.00 0.00 C ATOM 0 H ILE A 8 92.903 -9.053 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 8 91.839 -8.904 -8.072 1.00 0.00 H new ATOM 0 HB ILE A 8 90.849 -8.403 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.412 -10.763 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.683 -10.578 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 8 88.551 -8.430 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 8 89.496 -7.069 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 8 89.207 -8.512 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 8 90.177 -11.950 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.381 -10.429 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 8 91.137 -10.617 -8.233 1.00 0.00 H new ATOM 124 N TYR A 9 92.944 -6.223 -6.881 1.00 0.00 N ATOM 125 CA TYR A 9 93.025 -4.761 -7.162 1.00 0.00 C ATOM 126 C TYR A 9 94.397 -4.393 -7.729 1.00 0.00 C ATOM 127 O TYR A 9 95.145 -3.621 -7.168 1.00 0.00 O ATOM 128 CB TYR A 9 92.732 -4.041 -5.848 1.00 0.00 C ATOM 129 CG TYR A 9 91.354 -4.421 -5.354 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.242 -4.310 -6.203 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.189 -4.891 -4.047 1.00 0.00 C ATOM 132 CE1 TYR A 9 88.969 -4.669 -5.742 1.00 0.00 C ATOM 133 CE2 TYR A 9 89.917 -5.251 -3.587 1.00 0.00 C ATOM 134 CZ TYR A 9 88.809 -5.141 -4.432 1.00 0.00 C ATOM 135 OH TYR A 9 87.562 -5.503 -3.970 1.00 0.00 O ATOM 0 H TYR A 9 93.694 -6.599 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 9 92.299 -4.462 -7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.482 -4.306 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 9 92.792 -2.962 -5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.368 -3.948 -7.213 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.044 -4.976 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.113 -4.582 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.791 -5.614 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 9 87.633 -5.808 -3.041 1.00 0.00 H new ATOM 145 N ALA A 10 94.677 -4.913 -8.894 1.00 0.00 N ATOM 146 CA ALA A 10 95.940 -4.596 -9.617 1.00 0.00 C ATOM 147 C ALA A 10 95.615 -3.568 -10.700 1.00 0.00 C ATOM 148 O ALA A 10 94.478 -3.169 -10.869 1.00 0.00 O ATOM 149 CB ALA A 10 96.446 -5.911 -10.211 1.00 0.00 C ATOM 0 H ALA A 10 94.064 -5.563 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 10 96.710 -4.174 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.374 -5.732 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.627 -6.627 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.698 -6.313 -10.894 1.00 0.00 H new ATOM 155 N ALA A 11 96.623 -3.072 -11.366 1.00 0.00 N ATOM 156 CA ALA A 11 96.407 -1.985 -12.368 1.00 0.00 C ATOM 157 C ALA A 11 95.468 -2.381 -13.510 1.00 0.00 C ATOM 158 O ALA A 11 94.790 -1.521 -14.046 1.00 0.00 O ATOM 159 CB ALA A 11 97.799 -1.634 -12.907 1.00 0.00 C ATOM 0 H ALA A 11 97.592 -3.374 -11.260 1.00 0.00 H new ATOM 0 HA ALA A 11 95.916 -1.137 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.712 -0.840 -13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.432 -1.296 -12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.243 -2.516 -13.369 1.00 0.00 H new ATOM 165 N ASP A 12 95.425 -3.625 -13.937 1.00 0.00 N ATOM 166 CA ASP A 12 94.526 -3.942 -15.092 1.00 0.00 C ATOM 167 C ASP A 12 93.113 -4.323 -14.635 1.00 0.00 C ATOM 168 O ASP A 12 92.319 -4.811 -15.417 1.00 0.00 O ATOM 169 CB ASP A 12 95.196 -5.092 -15.841 1.00 0.00 C ATOM 170 CG ASP A 12 96.468 -4.596 -16.541 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.578 -3.401 -16.769 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.310 -5.424 -16.846 1.00 0.00 O ATOM 0 H ASP A 12 95.954 -4.407 -13.551 1.00 0.00 H new ATOM 0 HA ASP A 12 94.396 -3.069 -15.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.444 -5.894 -15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.506 -5.509 -16.575 1.00 0.00 H new ATOM 177 N LEU A 13 92.787 -4.096 -13.387 1.00 0.00 N ATOM 178 CA LEU A 13 91.419 -4.437 -12.895 1.00 0.00 C ATOM 179 C LEU A 13 90.408 -3.485 -13.519 1.00 0.00 C ATOM 180 O LEU A 13 90.432 -2.293 -13.272 1.00 0.00 O ATOM 181 CB LEU A 13 91.464 -4.232 -11.372 1.00 0.00 C ATOM 182 CG LEU A 13 90.612 -5.296 -10.652 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.196 -5.355 -11.243 1.00 0.00 C ATOM 184 CD2 LEU A 13 91.285 -6.664 -10.790 1.00 0.00 C ATOM 0 H LEU A 13 93.409 -3.689 -12.689 1.00 0.00 H new ATOM 0 HA LEU A 13 91.129 -5.455 -13.154 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.495 -4.288 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.097 -3.236 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 13 90.534 -5.026 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.614 -6.113 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 13 88.714 -4.384 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.254 -5.610 -12.301 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.684 -7.418 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.373 -6.921 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 13 92.278 -6.628 -10.341 1.00 0.00 H new ATOM 196 N SER A 14 89.531 -4.000 -14.336 1.00 0.00 N ATOM 197 CA SER A 14 88.525 -3.122 -14.993 1.00 0.00 C ATOM 198 C SER A 14 87.617 -2.470 -13.951 1.00 0.00 C ATOM 199 O SER A 14 87.209 -3.083 -12.983 1.00 0.00 O ATOM 200 CB SER A 14 87.728 -4.030 -15.927 1.00 0.00 C ATOM 201 OG SER A 14 88.539 -4.387 -17.038 1.00 0.00 O ATOM 0 H SER A 14 89.468 -4.989 -14.576 1.00 0.00 H new ATOM 0 HA SER A 14 88.998 -2.308 -15.543 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.405 -4.925 -15.395 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.827 -3.520 -16.268 1.00 0.00 H new ATOM 0 HG SER A 14 88.031 -4.971 -17.639 1.00 0.00 H new ATOM 207 N MET A 15 87.313 -1.220 -14.155 1.00 0.00 N ATOM 208 CA MET A 15 86.442 -0.476 -13.194 1.00 0.00 C ATOM 209 C MET A 15 85.044 -1.101 -13.123 1.00 0.00 C ATOM 210 O MET A 15 84.356 -0.971 -12.128 1.00 0.00 O ATOM 211 CB MET A 15 86.362 0.951 -13.744 1.00 0.00 C ATOM 212 CG MET A 15 87.752 1.594 -13.722 1.00 0.00 C ATOM 213 SD MET A 15 88.309 1.791 -12.009 1.00 0.00 S ATOM 214 CE MET A 15 87.082 3.025 -11.516 1.00 0.00 C ATOM 0 H MET A 15 87.633 -0.673 -14.954 1.00 0.00 H new ATOM 0 HA MET A 15 86.846 -0.504 -12.182 1.00 0.00 H new ATOM 0 HB2 MET A 15 85.974 0.937 -14.762 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.668 1.542 -13.147 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.458 0.975 -14.275 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.722 2.564 -14.218 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.532 3.725 -10.812 1.00 0.00 H new ATOM 0 HE2 MET A 15 86.737 3.567 -12.396 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.236 2.528 -11.042 1.00 0.00 H new ATOM 224 N GLY A 16 84.607 -1.758 -14.166 1.00 0.00 N ATOM 225 CA GLY A 16 83.245 -2.371 -14.158 1.00 0.00 C ATOM 226 C GLY A 16 83.193 -3.572 -13.213 1.00 0.00 C ATOM 227 O GLY A 16 82.124 -3.991 -12.806 1.00 0.00 O ATOM 0 H GLY A 16 85.137 -1.897 -15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.509 -1.628 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.977 -2.685 -15.167 1.00 0.00 H new ATOM 231 N SER A 17 84.321 -4.140 -12.867 1.00 0.00 N ATOM 232 CA SER A 17 84.312 -5.324 -11.959 1.00 0.00 C ATOM 233 C SER A 17 84.310 -4.898 -10.484 1.00 0.00 C ATOM 234 O SER A 17 83.986 -5.684 -9.612 1.00 0.00 O ATOM 235 CB SER A 17 85.586 -6.093 -12.296 1.00 0.00 C ATOM 236 OG SER A 17 85.495 -6.590 -13.624 1.00 0.00 O ATOM 0 H SER A 17 85.245 -3.835 -13.174 1.00 0.00 H new ATOM 0 HA SER A 17 83.416 -5.929 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.455 -5.442 -12.197 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.724 -6.917 -11.595 1.00 0.00 H new ATOM 0 HG SER A 17 86.312 -7.083 -13.845 1.00 0.00 H new ATOM 242 N VAL A 18 84.669 -3.670 -10.196 1.00 0.00 N ATOM 243 CA VAL A 18 84.685 -3.213 -8.774 1.00 0.00 C ATOM 244 C VAL A 18 83.317 -2.625 -8.405 1.00 0.00 C ATOM 245 O VAL A 18 82.535 -2.268 -9.263 1.00 0.00 O ATOM 246 CB VAL A 18 85.803 -2.159 -8.689 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.532 -1.023 -9.676 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.866 -1.574 -7.282 1.00 0.00 C ATOM 0 H VAL A 18 84.950 -2.969 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 18 84.873 -4.027 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 18 86.749 -2.643 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.329 -0.283 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.494 -1.423 -10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.579 -0.552 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.660 -0.829 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.913 -1.104 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.070 -2.370 -6.566 1.00 0.00 H new ATOM 258 N ALA A 19 83.020 -2.549 -7.132 1.00 0.00 N ATOM 259 CA ALA A 19 81.689 -2.013 -6.685 1.00 0.00 C ATOM 260 C ALA A 19 81.412 -0.633 -7.300 1.00 0.00 C ATOM 261 O ALA A 19 80.314 -0.354 -7.735 1.00 0.00 O ATOM 262 CB ALA A 19 81.790 -1.912 -5.156 1.00 0.00 C ATOM 0 H ALA A 19 83.642 -2.836 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 19 80.870 -2.659 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.853 -1.527 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.985 -2.900 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.604 -1.238 -4.889 1.00 0.00 H new ATOM 268 N CYS A 20 82.398 0.222 -7.348 1.00 0.00 N ATOM 269 CA CYS A 20 82.191 1.578 -7.950 1.00 0.00 C ATOM 270 C CYS A 20 82.228 1.452 -9.481 1.00 0.00 C ATOM 271 O CYS A 20 83.257 1.647 -10.099 1.00 0.00 O ATOM 272 CB CYS A 20 83.375 2.419 -7.438 1.00 0.00 C ATOM 273 SG CYS A 20 82.768 3.936 -6.652 1.00 0.00 S ATOM 0 H CYS A 20 83.339 0.043 -6.997 1.00 0.00 H new ATOM 0 HA CYS A 20 81.236 2.030 -7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.961 1.840 -6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.038 2.669 -8.266 1.00 0.00 H new ATOM 278 N SER A 21 81.122 1.080 -10.094 1.00 0.00 N ATOM 279 CA SER A 21 81.118 0.891 -11.581 1.00 0.00 C ATOM 280 C SER A 21 80.721 2.164 -12.348 1.00 0.00 C ATOM 281 O SER A 21 81.578 2.845 -12.882 1.00 0.00 O ATOM 282 CB SER A 21 80.131 -0.253 -11.842 1.00 0.00 C ATOM 283 OG SER A 21 80.293 -1.251 -10.843 1.00 0.00 O ATOM 0 H SER A 21 80.231 0.901 -9.631 1.00 0.00 H new ATOM 0 HA SER A 21 82.120 0.660 -11.941 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.108 0.124 -11.833 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.304 -0.680 -12.830 1.00 0.00 H new ATOM 0 HG SER A 21 81.241 -1.327 -10.607 1.00 0.00 H new ATOM 289 N ASN A 22 79.446 2.488 -12.442 1.00 0.00 N ATOM 290 CA ASN A 22 79.055 3.708 -13.217 1.00 0.00 C ATOM 291 C ASN A 22 77.867 4.441 -12.593 1.00 0.00 C ATOM 292 O ASN A 22 77.260 5.287 -13.227 1.00 0.00 O ATOM 293 CB ASN A 22 78.669 3.181 -14.594 1.00 0.00 C ATOM 294 CG ASN A 22 78.827 4.297 -15.629 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.915 4.795 -15.841 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.779 4.717 -16.282 1.00 0.00 N ATOM 0 H ASN A 22 78.675 1.968 -12.022 1.00 0.00 H new ATOM 0 HA ASN A 22 79.871 4.431 -13.241 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.298 2.332 -14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.639 2.823 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 22 77.873 5.464 -16.971 1.00 0.00 H new ATOM 0 HD22 ASN A 22 76.866 4.299 -16.104 1.00 0.00 H new ATOM 303 N GLY A 23 77.529 4.140 -11.371 1.00 0.00 N ATOM 304 CA GLY A 23 76.378 4.834 -10.722 1.00 0.00 C ATOM 305 C GLY A 23 76.775 6.280 -10.441 1.00 0.00 C ATOM 306 O GLY A 23 77.556 6.871 -11.163 1.00 0.00 O ATOM 0 H GLY A 23 77.999 3.444 -10.792 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.503 4.802 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.107 4.330 -9.795 1.00 0.00 H new ATOM 310 N ASP A 24 76.267 6.841 -9.379 1.00 0.00 N ATOM 311 CA ASP A 24 76.637 8.242 -9.016 1.00 0.00 C ATOM 312 C ASP A 24 78.093 8.265 -8.560 1.00 0.00 C ATOM 313 O ASP A 24 78.841 9.168 -8.884 1.00 0.00 O ATOM 314 CB ASP A 24 75.704 8.622 -7.863 1.00 0.00 C ATOM 315 CG ASP A 24 74.270 8.775 -8.382 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.107 9.064 -9.558 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.355 8.600 -7.593 1.00 0.00 O1- ATOM 0 H ASP A 24 75.609 6.390 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 24 76.537 8.937 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.740 7.857 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.036 9.554 -7.407 1.00 0.00 H new ATOM 322 N HIS A 25 78.499 7.271 -7.817 1.00 0.00 N ATOM 323 CA HIS A 25 79.915 7.218 -7.336 1.00 0.00 C ATOM 324 C HIS A 25 80.792 6.469 -8.350 1.00 0.00 C ATOM 325 O HIS A 25 81.980 6.314 -8.145 1.00 0.00 O ATOM 326 CB HIS A 25 79.891 6.436 -6.014 1.00 0.00 C ATOM 327 CG HIS A 25 78.797 6.939 -5.112 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.768 8.233 -4.618 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.679 6.322 -4.621 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.659 8.353 -3.865 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.957 7.215 -3.833 1.00 0.00 N ATOM 0 H HIS A 25 77.912 6.491 -7.521 1.00 0.00 H new ATOM 0 HA HIS A 25 80.323 8.221 -7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.742 5.376 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.854 6.532 -5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.399 5.297 -4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.371 9.257 -3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.082 7.039 -3.339 1.00 0.00 H new ATOM 339 N GLY A 26 80.223 5.999 -9.445 1.00 0.00 N ATOM 340 CA GLY A 26 81.035 5.259 -10.456 1.00 0.00 C ATOM 341 C GLY A 26 82.197 6.127 -10.931 1.00 0.00 C ATOM 342 O GLY A 26 82.037 7.285 -11.262 1.00 0.00 O ATOM 0 H GLY A 26 79.234 6.100 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.415 4.334 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.409 4.980 -11.303 1.00 0.00 H new ATOM 346 N LEU A 27 83.359 5.553 -10.969 1.00 0.00 N ATOM 347 CA LEU A 27 84.569 6.294 -11.427 1.00 0.00 C ATOM 348 C LEU A 27 84.950 5.871 -12.856 1.00 0.00 C ATOM 349 O LEU A 27 85.912 6.358 -13.418 1.00 0.00 O ATOM 350 CB LEU A 27 85.652 5.893 -10.426 1.00 0.00 C ATOM 351 CG LEU A 27 85.249 6.373 -9.027 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.137 5.707 -7.972 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.406 7.894 -8.944 1.00 0.00 C ATOM 0 H LEU A 27 83.530 4.585 -10.698 1.00 0.00 H new ATOM 0 HA LEU A 27 84.418 7.373 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.783 4.811 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.608 6.331 -10.712 1.00 0.00 H new ATOM 0 HG LEU A 27 84.209 6.103 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.845 6.053 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.020 4.625 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.179 5.969 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.119 8.236 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.445 8.164 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.766 8.367 -9.688 1.00 0.00 H new ATOM 365 N MET A 28 84.201 4.964 -13.446 1.00 0.00 N ATOM 366 CA MET A 28 84.509 4.499 -14.832 1.00 0.00 C ATOM 367 C MET A 28 84.367 5.643 -15.841 1.00 0.00 C ATOM 368 O MET A 28 85.083 5.702 -16.823 1.00 0.00 O ATOM 369 CB MET A 28 83.476 3.405 -15.125 1.00 0.00 C ATOM 370 CG MET A 28 83.762 2.782 -16.493 1.00 0.00 C ATOM 371 SD MET A 28 82.540 1.490 -16.835 1.00 0.00 S ATOM 372 CE MET A 28 83.119 0.294 -15.608 1.00 0.00 C ATOM 0 H MET A 28 83.385 4.526 -13.020 1.00 0.00 H new ATOM 0 HA MET A 28 85.534 4.136 -14.914 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.513 2.639 -14.350 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.471 3.826 -15.109 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.724 3.547 -17.268 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.767 2.361 -16.510 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.990 -0.716 -15.996 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.174 0.470 -15.398 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.542 0.407 -14.690 1.00 0.00 H new ATOM 382 N ALA A 29 83.420 6.525 -15.632 1.00 0.00 N ATOM 383 CA ALA A 29 83.199 7.636 -16.612 1.00 0.00 C ATOM 384 C ALA A 29 84.476 8.456 -16.845 1.00 0.00 C ATOM 385 O ALA A 29 85.024 8.451 -17.932 1.00 0.00 O ATOM 386 CB ALA A 29 82.109 8.509 -15.987 1.00 0.00 C ATOM 0 H ALA A 29 82.792 6.525 -14.828 1.00 0.00 H new ATOM 0 HA ALA A 29 82.913 7.247 -17.589 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.891 9.348 -16.648 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.206 7.916 -15.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.453 8.886 -15.024 1.00 0.00 H new ATOM 392 N GLN A 30 84.955 9.161 -15.847 1.00 0.00 N ATOM 393 CA GLN A 30 86.199 9.977 -16.035 1.00 0.00 C ATOM 394 C GLN A 30 87.438 9.071 -16.118 1.00 0.00 C ATOM 395 O GLN A 30 88.332 9.301 -16.910 1.00 0.00 O ATOM 396 CB GLN A 30 86.271 10.926 -14.826 1.00 0.00 C ATOM 397 CG GLN A 30 86.321 10.139 -13.512 1.00 0.00 C ATOM 398 CD GLN A 30 86.475 11.116 -12.344 1.00 0.00 C ATOM 399 OE1 GLN A 30 87.319 11.990 -12.375 1.00 0.00 O ATOM 400 NE2 GLN A 30 85.687 11.007 -11.309 1.00 0.00 N ATOM 0 H GLN A 30 84.542 9.207 -14.916 1.00 0.00 H new ATOM 0 HA GLN A 30 86.174 10.540 -16.968 1.00 0.00 H new ATOM 0 HB2 GLN A 30 87.154 11.559 -14.908 1.00 0.00 H new ATOM 0 HB3 GLN A 30 85.404 11.587 -14.826 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.411 9.551 -13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 30 87.155 9.437 -13.526 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.978 10.274 -11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 30 85.780 11.655 -10.527 1.00 0.00 H new ATOM 409 N TYR A 31 87.495 8.050 -15.303 1.00 0.00 N ATOM 410 CA TYR A 31 88.669 7.122 -15.316 1.00 0.00 C ATOM 411 C TYR A 31 88.175 5.674 -15.479 1.00 0.00 C ATOM 412 O TYR A 31 87.876 5.015 -14.504 1.00 0.00 O ATOM 413 CB TYR A 31 89.350 7.330 -13.963 1.00 0.00 C ATOM 414 CG TYR A 31 90.044 8.675 -13.963 1.00 0.00 C ATOM 415 CD1 TYR A 31 91.128 8.903 -14.820 1.00 0.00 C ATOM 416 CD2 TYR A 31 89.603 9.696 -13.112 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.767 10.149 -14.826 1.00 0.00 C ATOM 418 CE2 TYR A 31 90.241 10.940 -13.118 1.00 0.00 C ATOM 419 CZ TYR A 31 91.323 11.167 -13.975 1.00 0.00 C ATOM 420 OH TYR A 31 91.952 12.396 -13.981 1.00 0.00 O ATOM 0 H TYR A 31 86.772 7.816 -14.622 1.00 0.00 H new ATOM 0 HA TYR A 31 89.358 7.315 -16.138 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.614 7.286 -13.160 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.071 6.534 -13.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.471 8.117 -15.477 1.00 0.00 H new ATOM 0 HD2 TYR A 31 88.768 9.522 -12.449 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.603 10.324 -15.487 1.00 0.00 H new ATOM 0 HE2 TYR A 31 89.898 11.726 -12.461 1.00 0.00 H new ATOM 0 HH TYR A 31 91.518 12.989 -13.332 1.00 0.00 H new ATOM 430 N PRO A 32 88.081 5.228 -16.718 1.00 0.00 N ATOM 431 CA PRO A 32 87.590 3.851 -16.994 1.00 0.00 C ATOM 432 C PRO A 32 88.582 2.780 -16.520 1.00 0.00 C ATOM 433 O PRO A 32 88.261 1.606 -16.508 1.00 0.00 O ATOM 434 CB PRO A 32 87.443 3.820 -18.514 1.00 0.00 C ATOM 435 CG PRO A 32 88.383 4.868 -19.012 1.00 0.00 C ATOM 436 CD PRO A 32 88.422 5.942 -17.962 1.00 0.00 C ATOM 0 HA PRO A 32 86.662 3.632 -16.466 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.696 2.839 -18.916 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.418 4.033 -18.816 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.376 4.451 -19.177 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.044 5.271 -19.966 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.406 6.406 -17.900 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.708 6.737 -18.176 1.00 0.00 H new ATOM 444 N THR A 33 89.778 3.160 -16.134 1.00 0.00 N ATOM 445 CA THR A 33 90.769 2.141 -15.673 1.00 0.00 C ATOM 446 C THR A 33 91.359 2.539 -14.316 1.00 0.00 C ATOM 447 O THR A 33 91.571 3.702 -14.032 1.00 0.00 O ATOM 448 CB THR A 33 91.854 2.123 -16.746 1.00 0.00 C ATOM 449 OG1 THR A 33 91.248 2.012 -18.027 1.00 0.00 O ATOM 450 CG2 THR A 33 92.779 0.926 -16.517 1.00 0.00 C ATOM 0 H THR A 33 90.107 4.125 -16.119 1.00 0.00 H new ATOM 0 HA THR A 33 90.312 1.160 -15.540 1.00 0.00 H new ATOM 0 HB THR A 33 92.433 3.045 -16.693 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.943 2.002 -18.718 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.554 0.913 -17.283 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.242 1.007 -15.534 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.201 0.004 -16.570 1.00 0.00 H new ATOM 458 N LEU A 34 91.615 1.566 -13.480 1.00 0.00 N ATOM 459 CA LEU A 34 92.188 1.851 -12.127 1.00 0.00 C ATOM 460 C LEU A 34 93.636 2.328 -12.247 1.00 0.00 C ATOM 461 O LEU A 34 94.484 1.612 -12.750 1.00 0.00 O ATOM 462 CB LEU A 34 92.153 0.500 -11.405 1.00 0.00 C ATOM 463 CG LEU A 34 92.626 0.675 -9.960 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.520 1.340 -9.129 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.968 -0.698 -9.370 1.00 0.00 C ATOM 0 H LEU A 34 91.451 0.579 -13.677 1.00 0.00 H new ATOM 0 HA LEU A 34 91.634 2.630 -11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.141 0.095 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.791 -0.216 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 34 93.513 1.309 -9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.861 1.463 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.284 2.317 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.628 0.714 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.305 -0.578 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.083 -1.333 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.760 -1.160 -9.960 1.00 0.00 H new ATOM 477 N GLY A 35 93.935 3.514 -11.787 1.00 0.00 N ATOM 478 CA GLY A 35 95.342 4.016 -11.875 1.00 0.00 C ATOM 479 C GLY A 35 95.367 5.539 -12.069 1.00 0.00 C ATOM 480 O GLY A 35 96.274 6.069 -12.680 1.00 0.00 O ATOM 0 H GLY A 35 93.270 4.156 -11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.885 3.752 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.855 3.531 -12.706 1.00 0.00 H new ATOM 484 N GLU A 36 94.390 6.245 -11.554 1.00 0.00 N ATOM 485 CA GLU A 36 94.371 7.726 -11.707 1.00 0.00 C ATOM 486 C GLU A 36 93.583 8.367 -10.564 1.00 0.00 C ATOM 487 O GLU A 36 94.060 9.275 -9.909 1.00 0.00 O ATOM 488 CB GLU A 36 93.669 7.969 -13.044 1.00 0.00 C ATOM 489 CG GLU A 36 94.694 8.384 -14.103 1.00 0.00 C ATOM 490 CD GLU A 36 94.196 7.978 -15.494 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.461 7.007 -15.585 1.00 0.00 O ATOM 492 OE2 GLU A 36 94.558 8.648 -16.448 1.00 0.00 O1- ATOM 0 H GLU A 36 93.604 5.855 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 36 95.371 8.159 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.150 7.065 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.914 8.747 -12.932 1.00 0.00 H new ATOM 0 HG2 GLU A 36 94.855 9.461 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.654 7.911 -13.898 1.00 0.00 H new ATOM 499 N VAL A 37 92.386 7.899 -10.315 1.00 0.00 N ATOM 500 CA VAL A 37 91.572 8.482 -9.202 1.00 0.00 C ATOM 501 C VAL A 37 92.321 8.263 -7.862 1.00 0.00 C ATOM 502 O VAL A 37 92.675 9.221 -7.203 1.00 0.00 O ATOM 503 CB VAL A 37 90.215 7.745 -9.287 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.511 7.716 -7.930 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.320 8.467 -10.297 1.00 0.00 C ATOM 0 H VAL A 37 91.938 7.142 -10.831 1.00 0.00 H new ATOM 0 HA VAL A 37 91.412 9.558 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 37 90.401 6.717 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.560 7.191 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.140 7.200 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.330 8.736 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.360 7.955 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.161 9.495 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.801 8.466 -11.275 1.00 0.00 H new ATOM 515 N PRO A 38 92.578 7.017 -7.521 1.00 0.00 N ATOM 516 CA PRO A 38 93.334 6.715 -6.275 1.00 0.00 C ATOM 517 C PRO A 38 94.808 7.051 -6.487 1.00 0.00 C ATOM 518 O PRO A 38 95.524 7.419 -5.576 1.00 0.00 O ATOM 519 CB PRO A 38 93.180 5.205 -6.120 1.00 0.00 C ATOM 520 CG PRO A 38 92.924 4.693 -7.496 1.00 0.00 C ATOM 521 CD PRO A 38 92.207 5.784 -8.241 1.00 0.00 C ATOM 0 HA PRO A 38 92.981 7.276 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.080 4.759 -5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.356 4.960 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.860 4.436 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.321 3.786 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.517 5.824 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.128 5.628 -8.235 1.00 0.00 H new ATOM 529 N GLY A 39 95.256 6.885 -7.699 1.00 0.00 N ATOM 530 CA GLY A 39 96.677 7.137 -8.044 1.00 0.00 C ATOM 531 C GLY A 39 97.161 5.920 -8.827 1.00 0.00 C ATOM 532 O GLY A 39 97.437 6.001 -10.006 1.00 0.00 O ATOM 0 H GLY A 39 94.680 6.577 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.775 8.045 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.274 7.280 -7.144 1.00 0.00 H new ATOM 536 N PHE A 40 97.197 4.782 -8.159 1.00 0.00 N ATOM 537 CA PHE A 40 97.594 3.459 -8.781 1.00 0.00 C ATOM 538 C PHE A 40 97.925 2.413 -7.670 1.00 0.00 C ATOM 539 O PHE A 40 97.178 1.469 -7.503 1.00 0.00 O ATOM 540 CB PHE A 40 98.785 3.720 -9.750 1.00 0.00 C ATOM 541 CG PHE A 40 99.543 2.442 -10.088 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.852 1.229 -10.257 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.933 2.480 -10.251 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.554 0.063 -10.582 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.633 1.312 -10.579 1.00 0.00 C ATOM 546 CZ PHE A 40 100.943 0.104 -10.744 1.00 0.00 C ATOM 0 H PHE A 40 96.959 4.711 -7.170 1.00 0.00 H new ATOM 0 HA PHE A 40 96.772 3.032 -9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.411 4.172 -10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.469 4.437 -9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.779 1.197 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.466 3.411 -10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.023 -0.869 -10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.705 1.343 -10.705 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.484 -0.796 -10.996 1.00 0.00 H new ATOM 556 N PRO A 41 99.027 2.588 -6.946 1.00 0.00 N ATOM 557 CA PRO A 41 99.394 1.607 -5.876 1.00 0.00 C ATOM 558 C PRO A 41 98.619 1.838 -4.567 1.00 0.00 C ATOM 559 O PRO A 41 98.827 1.130 -3.599 1.00 0.00 O ATOM 560 CB PRO A 41 100.867 1.899 -5.619 1.00 0.00 C ATOM 561 CG PRO A 41 101.051 3.334 -5.994 1.00 0.00 C ATOM 562 CD PRO A 41 100.027 3.663 -7.048 1.00 0.00 C ATOM 0 HA PRO A 41 99.171 0.587 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.126 1.728 -4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.508 1.250 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 41 100.924 3.977 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.059 3.505 -6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.577 4.640 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.476 3.693 -8.041 1.00 0.00 H new ATOM 570 N ASN A 42 97.757 2.822 -4.507 1.00 0.00 N ATOM 571 CA ASN A 42 97.012 3.089 -3.241 1.00 0.00 C ATOM 572 C ASN A 42 95.534 2.756 -3.413 1.00 0.00 C ATOM 573 O ASN A 42 94.668 3.571 -3.150 1.00 0.00 O ATOM 574 CB ASN A 42 97.199 4.584 -2.984 1.00 0.00 C ATOM 575 CG ASN A 42 98.530 4.822 -2.265 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.082 3.921 -1.663 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.071 6.009 -2.296 1.00 0.00 N ATOM 0 H ASN A 42 97.538 3.451 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 42 97.376 2.482 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.182 5.130 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.375 4.965 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 42 99.955 6.179 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.610 6.766 -2.800 1.00 0.00 H new ATOM 584 N VAL A 43 95.244 1.564 -3.849 1.00 0.00 N ATOM 585 CA VAL A 43 93.826 1.164 -4.042 1.00 0.00 C ATOM 586 C VAL A 43 93.578 -0.210 -3.414 1.00 0.00 C ATOM 587 O VAL A 43 94.407 -1.104 -3.472 1.00 0.00 O ATOM 588 CB VAL A 43 93.610 1.151 -5.560 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.479 0.072 -6.214 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.133 0.881 -5.860 1.00 0.00 C ATOM 0 H VAL A 43 95.932 0.847 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 43 93.127 1.847 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 43 93.895 2.121 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.314 0.076 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.530 0.276 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.212 -0.904 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.977 0.871 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.848 -0.085 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.522 1.664 -5.412 1.00 0.00 H new ATOM 600 N GLY A 44 92.436 -0.364 -2.805 1.00 0.00 N ATOM 601 CA GLY A 44 92.091 -1.660 -2.152 1.00 0.00 C ATOM 602 C GLY A 44 90.612 -1.672 -1.764 1.00 0.00 C ATOM 603 O GLY A 44 89.916 -0.686 -1.897 1.00 0.00 O ATOM 0 H GLY A 44 91.720 0.358 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.304 -2.486 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.709 -1.806 -1.266 1.00 0.00 H new ATOM 607 N GLY A 45 90.142 -2.786 -1.263 1.00 0.00 N ATOM 608 CA GLY A 45 88.716 -2.882 -0.838 1.00 0.00 C ATOM 609 C GLY A 45 88.608 -2.411 0.610 1.00 0.00 C ATOM 610 O GLY A 45 89.577 -2.451 1.344 1.00 0.00 O ATOM 0 H GLY A 45 90.689 -3.637 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.087 -2.269 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.362 -3.909 -0.929 1.00 0.00 H new ATOM 614 N ILE A 46 87.443 -1.994 1.035 1.00 0.00 N ATOM 615 CA ILE A 46 87.273 -1.539 2.450 1.00 0.00 C ATOM 616 C ILE A 46 85.790 -1.678 2.870 1.00 0.00 C ATOM 617 O ILE A 46 84.928 -1.811 2.028 1.00 0.00 O ATOM 618 CB ILE A 46 87.791 -0.081 2.522 1.00 0.00 C ATOM 619 CG1 ILE A 46 87.378 0.730 1.268 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.318 -0.105 2.648 1.00 0.00 C ATOM 621 CD1 ILE A 46 88.059 2.105 1.261 1.00 0.00 C ATOM 0 H ILE A 46 86.600 -1.948 0.463 1.00 0.00 H new ATOM 0 HA ILE A 46 87.842 -2.150 3.151 1.00 0.00 H new ATOM 0 HB ILE A 46 87.347 0.406 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.650 0.180 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.295 0.855 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.695 0.916 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.600 -0.642 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.747 -0.607 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 46 87.755 2.657 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 46 87.766 2.661 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 46 89.141 1.975 1.255 1.00 0.00 H new ATOM 633 N PRO A 47 85.545 -1.711 4.164 1.00 0.00 N ATOM 634 CA PRO A 47 84.158 -1.926 4.698 1.00 0.00 C ATOM 635 C PRO A 47 83.159 -0.783 4.418 1.00 0.00 C ATOM 636 O PRO A 47 81.964 -1.014 4.447 1.00 0.00 O ATOM 637 CB PRO A 47 84.381 -2.046 6.206 1.00 0.00 C ATOM 638 CG PRO A 47 85.652 -1.318 6.463 1.00 0.00 C ATOM 639 CD PRO A 47 86.518 -1.547 5.258 1.00 0.00 C ATOM 0 HA PRO A 47 83.704 -2.791 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.554 -1.607 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.454 -3.089 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.468 -0.254 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.137 -1.688 7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.187 -0.705 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.144 -2.432 5.375 1.00 0.00 H new ATOM 647 N ASP A 48 83.595 0.435 4.188 1.00 0.00 N ATOM 648 CA ASP A 48 82.603 1.546 3.962 1.00 0.00 C ATOM 649 C ASP A 48 81.993 1.511 2.555 1.00 0.00 C ATOM 650 O ASP A 48 81.091 2.274 2.265 1.00 0.00 O ATOM 651 CB ASP A 48 83.365 2.847 4.185 1.00 0.00 C ATOM 652 CG ASP A 48 82.408 3.923 4.703 1.00 0.00 C ATOM 653 OD1 ASP A 48 81.253 3.904 4.307 1.00 0.00 O ATOM 654 OD2 ASP A 48 82.845 4.749 5.489 1.00 0.00 O1- ATOM 0 H ASP A 48 84.577 0.708 4.147 1.00 0.00 H new ATOM 0 HA ASP A 48 81.762 1.443 4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.172 2.689 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 48 83.825 3.174 3.253 1.00 0.00 H new ATOM 659 N ILE A 49 82.438 0.636 1.692 1.00 0.00 N ATOM 660 CA ILE A 49 81.827 0.572 0.327 1.00 0.00 C ATOM 661 C ILE A 49 80.652 -0.412 0.367 1.00 0.00 C ATOM 662 O ILE A 49 80.817 -1.567 0.712 1.00 0.00 O ATOM 663 CB ILE A 49 82.936 0.071 -0.603 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.188 0.954 -0.456 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.449 0.104 -2.054 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.873 2.408 -0.817 1.00 0.00 C ATOM 0 H ILE A 49 83.189 -0.031 1.868 1.00 0.00 H new ATOM 0 HA ILE A 49 81.447 1.534 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 49 83.190 -0.953 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.558 0.901 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.982 0.578 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.241 -0.253 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.574 -0.537 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.185 1.126 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.772 3.014 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.526 2.460 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 49 83.096 2.787 -0.154 1.00 0.00 H new ATOM 678 N ALA A 50 79.463 0.037 0.037 1.00 0.00 N ATOM 679 CA ALA A 50 78.273 -0.873 0.078 1.00 0.00 C ATOM 680 C ALA A 50 78.262 -1.833 -1.105 1.00 0.00 C ATOM 681 O ALA A 50 77.983 -3.008 -0.942 1.00 0.00 O ATOM 682 CB ALA A 50 77.056 0.054 0.027 1.00 0.00 C ATOM 0 H ALA A 50 79.266 0.993 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 50 78.282 -1.496 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.144 -0.542 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.075 0.727 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.082 0.638 -0.893 1.00 0.00 H new ATOM 688 N GLY A 51 78.551 -1.359 -2.289 1.00 0.00 N ATOM 689 CA GLY A 51 78.537 -2.279 -3.457 1.00 0.00 C ATOM 690 C GLY A 51 78.580 -1.492 -4.768 1.00 0.00 C ATOM 691 O GLY A 51 79.393 -0.611 -4.961 1.00 0.00 O ATOM 0 H GLY A 51 78.792 -0.389 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.391 -2.954 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.640 -2.897 -3.428 1.00 0.00 H new ATOM 695 N TRP A 52 77.707 -1.835 -5.675 1.00 0.00 N ATOM 696 CA TRP A 52 77.656 -1.167 -7.014 1.00 0.00 C ATOM 697 C TRP A 52 77.669 0.366 -6.914 1.00 0.00 C ATOM 698 O TRP A 52 78.088 1.037 -7.843 1.00 0.00 O ATOM 699 CB TRP A 52 76.329 -1.623 -7.629 1.00 0.00 C ATOM 700 CG TRP A 52 76.268 -1.153 -9.047 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.925 -1.726 -10.080 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.538 -0.021 -9.603 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.647 -1.018 -11.235 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.795 0.041 -10.993 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.685 0.947 -9.042 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.229 1.031 -11.797 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.111 1.943 -9.849 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.384 1.984 -11.225 1.00 0.00 C ATOM 0 H TRP A 52 77.009 -2.567 -5.544 1.00 0.00 H new ATOM 0 HA TRP A 52 78.530 -1.437 -7.606 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.247 -2.709 -7.588 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.491 -1.219 -7.061 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.563 -2.595 -10.014 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.025 -1.250 -12.153 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.470 0.924 -7.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.443 1.060 -12.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.457 2.681 -9.409 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.941 2.752 -11.841 1.00 0.00 H new ATOM 719 N ASP A 53 77.212 0.929 -5.822 1.00 0.00 N ATOM 720 CA ASP A 53 77.193 2.417 -5.705 1.00 0.00 C ATOM 721 C ASP A 53 77.434 2.850 -4.254 1.00 0.00 C ATOM 722 O ASP A 53 76.568 3.413 -3.610 1.00 0.00 O ATOM 723 CB ASP A 53 75.788 2.815 -6.162 1.00 0.00 C ATOM 724 CG ASP A 53 75.704 4.334 -6.315 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.583 4.896 -6.948 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.762 4.912 -5.796 1.00 0.00 O1- ATOM 0 H ASP A 53 76.853 0.424 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 53 77.974 2.891 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.553 2.331 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.049 2.472 -5.438 1.00 0.00 H new ATOM 731 N SER A 54 78.600 2.571 -3.737 1.00 0.00 N ATOM 732 CA SER A 54 78.909 2.941 -2.319 1.00 0.00 C ATOM 733 C SER A 54 78.884 4.467 -2.130 1.00 0.00 C ATOM 734 O SER A 54 79.463 5.186 -2.917 1.00 0.00 O ATOM 735 CB SER A 54 80.320 2.417 -2.072 1.00 0.00 C ATOM 736 OG SER A 54 81.145 2.758 -3.179 1.00 0.00 O ATOM 0 H SER A 54 79.356 2.101 -4.235 1.00 0.00 H new ATOM 0 HA SER A 54 78.177 2.522 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.725 2.846 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.301 1.336 -1.937 1.00 0.00 H new ATOM 0 HG SER A 54 81.202 1.995 -3.792 1.00 0.00 H new ATOM 742 N PRO A 55 78.228 4.925 -1.079 1.00 0.00 N ATOM 743 CA PRO A 55 78.165 6.385 -0.814 1.00 0.00 C ATOM 744 C PRO A 55 79.523 6.914 -0.340 1.00 0.00 C ATOM 745 O PRO A 55 79.788 8.100 -0.398 1.00 0.00 O ATOM 746 CB PRO A 55 77.123 6.509 0.296 1.00 0.00 C ATOM 747 CG PRO A 55 77.135 5.184 0.983 1.00 0.00 C ATOM 748 CD PRO A 55 77.498 4.156 -0.054 1.00 0.00 C ATOM 0 HA PRO A 55 77.910 6.962 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.375 7.314 0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.137 6.734 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.856 5.179 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.160 4.966 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.118 3.365 0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.611 3.678 -0.470 1.00 0.00 H new ATOM 756 N SER A 56 80.383 6.044 0.136 1.00 0.00 N ATOM 757 CA SER A 56 81.718 6.491 0.624 1.00 0.00 C ATOM 758 C SER A 56 82.796 6.263 -0.439 1.00 0.00 C ATOM 759 O SER A 56 83.969 6.376 -0.160 1.00 0.00 O ATOM 760 CB SER A 56 81.997 5.620 1.845 1.00 0.00 C ATOM 761 OG SER A 56 82.329 4.304 1.418 1.00 0.00 O ATOM 0 H SER A 56 80.213 5.041 0.206 1.00 0.00 H new ATOM 0 HA SER A 56 81.727 7.556 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.815 6.043 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 56 81.122 5.594 2.495 1.00 0.00 H new ATOM 0 HG SER A 56 81.573 3.704 1.588 1.00 0.00 H new ATOM 767 N CYS A 57 82.416 5.939 -1.650 1.00 0.00 N ATOM 768 CA CYS A 57 83.442 5.704 -2.710 1.00 0.00 C ATOM 769 C CYS A 57 84.198 7.005 -3.008 1.00 0.00 C ATOM 770 O CYS A 57 83.625 8.079 -3.016 1.00 0.00 O ATOM 771 CB CYS A 57 82.654 5.240 -3.937 1.00 0.00 C ATOM 772 SG CYS A 57 83.526 3.893 -4.777 1.00 0.00 S ATOM 0 H CYS A 57 81.447 5.828 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 57 84.186 4.967 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.662 4.906 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.514 6.075 -4.624 1.00 0.00 H new ATOM 777 N GLY A 58 85.478 6.912 -3.271 1.00 0.00 N ATOM 778 CA GLY A 58 86.280 8.132 -3.590 1.00 0.00 C ATOM 779 C GLY A 58 86.709 8.844 -2.304 1.00 0.00 C ATOM 780 O GLY A 58 86.945 10.038 -2.302 1.00 0.00 O ATOM 0 H GLY A 58 86.004 6.038 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.160 7.854 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.692 8.810 -4.209 1.00 0.00 H new ATOM 784 N THR A 59 86.818 8.125 -1.217 1.00 0.00 N ATOM 785 CA THR A 59 87.243 8.764 0.065 1.00 0.00 C ATOM 786 C THR A 59 88.725 8.506 0.329 1.00 0.00 C ATOM 787 O THR A 59 89.222 7.407 0.183 1.00 0.00 O ATOM 788 CB THR A 59 86.397 8.109 1.156 1.00 0.00 C ATOM 789 OG1 THR A 59 86.410 6.696 0.972 1.00 0.00 O ATOM 790 CG2 THR A 59 84.964 8.648 1.088 1.00 0.00 C ATOM 0 H THR A 59 86.631 7.124 -1.161 1.00 0.00 H new ATOM 0 HA THR A 59 87.104 9.845 0.035 1.00 0.00 H new ATOM 0 HB THR A 59 86.809 8.343 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.611 6.424 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.362 8.180 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 59 84.974 9.728 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.536 8.420 0.112 1.00 0.00 H new ATOM 798 N CYS A 60 89.418 9.537 0.723 1.00 0.00 N ATOM 799 CA CYS A 60 90.875 9.418 1.018 1.00 0.00 C ATOM 800 C CYS A 60 91.074 8.854 2.425 1.00 0.00 C ATOM 801 O CYS A 60 90.472 9.324 3.374 1.00 0.00 O ATOM 802 CB CYS A 60 91.407 10.850 0.938 1.00 0.00 C ATOM 803 SG CYS A 60 93.202 10.850 1.169 1.00 0.00 S ATOM 0 H CYS A 60 89.032 10.472 0.855 1.00 0.00 H new ATOM 0 HA CYS A 60 91.390 8.751 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.155 11.288 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.933 11.467 1.701 1.00 0.00 H new ATOM 808 N TRP A 61 91.907 7.856 2.573 1.00 0.00 N ATOM 809 CA TRP A 61 92.136 7.269 3.926 1.00 0.00 C ATOM 810 C TRP A 61 93.628 7.077 4.198 1.00 0.00 C ATOM 811 O TRP A 61 94.386 6.724 3.316 1.00 0.00 O ATOM 812 CB TRP A 61 91.427 5.918 3.896 1.00 0.00 C ATOM 813 CG TRP A 61 89.953 6.132 3.959 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.083 5.896 2.951 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.164 6.623 5.076 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.807 6.210 3.382 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.805 6.662 4.686 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.492 7.030 6.381 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.806 7.093 5.558 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.490 7.461 7.262 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.148 7.493 6.852 1.00 0.00 C ATOM 0 H TRP A 61 92.437 7.423 1.817 1.00 0.00 H new ATOM 0 HA TRP A 61 91.759 7.920 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.689 5.377 2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.753 5.305 4.736 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.342 5.524 1.971 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.970 6.119 2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.522 7.011 6.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.776 7.117 5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.753 7.770 8.263 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.381 7.826 7.536 1.00 0.00 H new ATOM 832 N LYS A 62 94.047 7.287 5.419 1.00 0.00 N ATOM 833 CA LYS A 62 95.484 7.099 5.769 1.00 0.00 C ATOM 834 C LYS A 62 95.608 5.873 6.674 1.00 0.00 C ATOM 835 O LYS A 62 94.874 5.740 7.633 1.00 0.00 O ATOM 836 CB LYS A 62 95.883 8.371 6.520 1.00 0.00 C ATOM 837 CG LYS A 62 97.359 8.296 6.914 1.00 0.00 C ATOM 838 CD LYS A 62 97.751 9.571 7.665 1.00 0.00 C ATOM 839 CE LYS A 62 99.243 9.527 8.009 1.00 0.00 C ATOM 840 NZ LYS A 62 99.334 8.680 9.230 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.451 7.582 6.192 1.00 0.00 H new ATOM 0 HA LYS A 62 96.122 6.940 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.708 9.245 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.265 8.488 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.535 7.422 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.979 8.180 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.534 10.447 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.160 9.665 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.824 9.102 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.635 10.527 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.295 8.740 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.649 9.015 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.122 7.692 8.984 1.00 0.00 H new ATOM 854 N VAL A 63 96.513 4.976 6.372 1.00 0.00 N ATOM 855 CA VAL A 63 96.661 3.751 7.217 1.00 0.00 C ATOM 856 C VAL A 63 97.986 3.790 7.984 1.00 0.00 C ATOM 857 O VAL A 63 99.031 4.040 7.416 1.00 0.00 O ATOM 858 CB VAL A 63 96.629 2.575 6.233 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.774 1.254 6.997 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.296 2.572 5.476 1.00 0.00 C ATOM 0 H VAL A 63 97.153 5.038 5.580 1.00 0.00 H new ATOM 0 HA VAL A 63 95.872 3.669 7.964 1.00 0.00 H new ATOM 0 HB VAL A 63 97.453 2.681 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.751 0.422 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.722 1.247 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.953 1.152 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.276 1.735 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.475 2.472 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.188 3.507 4.926 1.00 0.00 H new ATOM 870 N THR A 64 97.936 3.567 9.275 1.00 0.00 N ATOM 871 CA THR A 64 99.170 3.608 10.119 1.00 0.00 C ATOM 872 C THR A 64 99.402 2.252 10.804 1.00 0.00 C ATOM 873 O THR A 64 98.479 1.648 11.322 1.00 0.00 O ATOM 874 CB THR A 64 98.867 4.676 11.171 1.00 0.00 C ATOM 875 OG1 THR A 64 98.544 5.898 10.521 1.00 0.00 O ATOM 876 CG2 THR A 64 100.095 4.883 12.060 1.00 0.00 C ATOM 0 H THR A 64 97.079 3.355 9.786 1.00 0.00 H new ATOM 0 HA THR A 64 100.065 3.825 9.535 1.00 0.00 H new ATOM 0 HB THR A 64 98.026 4.353 11.785 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.348 6.584 11.193 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.878 5.644 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.346 3.946 12.557 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.937 5.206 11.448 1.00 0.00 H new ATOM 884 N ILE A 65 100.623 1.766 10.801 1.00 0.00 N ATOM 885 CA ILE A 65 100.907 0.438 11.442 1.00 0.00 C ATOM 886 C ILE A 65 101.818 0.608 12.680 1.00 0.00 C ATOM 887 O ILE A 65 102.403 1.654 12.871 1.00 0.00 O ATOM 888 CB ILE A 65 101.593 -0.389 10.344 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.864 0.327 9.874 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.639 -0.549 9.159 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.861 -0.703 9.341 1.00 0.00 C ATOM 0 H ILE A 65 101.432 2.228 10.385 1.00 0.00 H new ATOM 0 HA ILE A 65 100.003 -0.049 11.806 1.00 0.00 H new ATOM 0 HB ILE A 65 101.855 -1.369 10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.620 1.050 9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.307 0.884 10.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.124 -1.136 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.734 -1.059 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.379 0.434 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.765 -0.195 9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 65 104.113 -1.409 10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.416 -1.241 8.504 1.00 0.00 H new ATOM 903 N PRO A 66 101.886 -0.430 13.504 1.00 0.00 N ATOM 904 CA PRO A 66 102.709 -0.377 14.753 1.00 0.00 C ATOM 905 C PRO A 66 104.206 -0.194 14.475 1.00 0.00 C ATOM 906 O PRO A 66 104.922 0.362 15.288 1.00 0.00 O ATOM 907 CB PRO A 66 102.449 -1.738 15.406 1.00 0.00 C ATOM 908 CG PRO A 66 102.031 -2.620 14.283 1.00 0.00 C ATOM 909 CD PRO A 66 101.227 -1.745 13.365 1.00 0.00 C ATOM 0 HA PRO A 66 102.437 0.475 15.377 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.344 -2.119 15.897 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.672 -1.670 16.167 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.897 -3.038 13.769 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.438 -3.460 14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.255 -2.105 12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.178 -1.705 13.660 1.00 0.00 H new ATOM 917 N ASN A 67 104.686 -0.644 13.343 1.00 0.00 N ATOM 918 CA ASN A 67 106.142 -0.478 13.031 1.00 0.00 C ATOM 919 C ASN A 67 106.476 1.010 12.904 1.00 0.00 C ATOM 920 O ASN A 67 107.503 1.475 13.360 1.00 0.00 O ATOM 921 CB ASN A 67 106.359 -1.192 11.698 1.00 0.00 C ATOM 922 CG ASN A 67 107.842 -1.135 11.325 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.220 -0.458 10.389 1.00 0.00 O ATOM 924 ND2 ASN A 67 108.704 -1.815 12.028 1.00 0.00 N ATOM 0 H ASN A 67 104.138 -1.117 12.624 1.00 0.00 H new ATOM 0 HA ASN A 67 106.781 -0.890 13.812 1.00 0.00 H new ATOM 0 HB2 ASN A 67 106.031 -2.229 11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.759 -0.722 10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 67 109.696 -1.779 11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 67 108.387 -2.383 12.813 1.00 0.00 H new ATOM 931 N GLY A 68 105.592 1.749 12.292 1.00 0.00 N ATOM 932 CA GLY A 68 105.817 3.214 12.130 1.00 0.00 C ATOM 933 C GLY A 68 105.890 3.575 10.646 1.00 0.00 C ATOM 934 O GLY A 68 106.876 4.110 10.178 1.00 0.00 O ATOM 0 H GLY A 68 104.720 1.400 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 68 105.009 3.769 12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.742 3.505 12.629 1.00 0.00 H new ATOM 938 N ASN A 69 104.841 3.310 9.915 1.00 0.00 N ATOM 939 CA ASN A 69 104.814 3.654 8.463 1.00 0.00 C ATOM 940 C ASN A 69 103.363 3.858 8.034 1.00 0.00 C ATOM 941 O ASN A 69 102.466 3.238 8.579 1.00 0.00 O ATOM 942 CB ASN A 69 105.423 2.450 7.741 1.00 0.00 C ATOM 943 CG ASN A 69 106.929 2.389 8.003 1.00 0.00 C ATOM 944 OD1 ASN A 69 107.614 3.390 7.924 1.00 0.00 O ATOM 945 ND2 ASN A 69 107.477 1.245 8.306 1.00 0.00 N ATOM 0 H ASN A 69 103.993 2.865 10.265 1.00 0.00 H new ATOM 0 HA ASN A 69 105.366 4.566 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 69 104.948 1.531 8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 69 105.235 2.524 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 69 108.481 1.190 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.902 0.405 8.372 1.00 0.00 H new ATOM 952 N SER A 70 103.113 4.719 7.077 1.00 0.00 N ATOM 953 CA SER A 70 101.703 4.944 6.648 1.00 0.00 C ATOM 954 C SER A 70 101.601 5.320 5.168 1.00 0.00 C ATOM 955 O SER A 70 102.521 5.844 4.572 1.00 0.00 O ATOM 956 CB SER A 70 101.194 6.081 7.528 1.00 0.00 C ATOM 957 OG SER A 70 101.316 5.710 8.894 1.00 0.00 O ATOM 0 H SER A 70 103.816 5.268 6.582 1.00 0.00 H new ATOM 0 HA SER A 70 101.113 4.034 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 70 101.764 6.989 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.153 6.301 7.291 1.00 0.00 H new ATOM 0 HG SER A 70 100.474 5.894 9.360 1.00 0.00 H new ATOM 963 N ILE A 71 100.461 5.056 4.589 1.00 0.00 N ATOM 964 CA ILE A 71 100.212 5.378 3.152 1.00 0.00 C ATOM 965 C ILE A 71 98.779 5.895 2.994 1.00 0.00 C ATOM 966 O ILE A 71 97.972 5.752 3.895 1.00 0.00 O ATOM 967 CB ILE A 71 100.382 4.054 2.396 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.411 3.003 2.945 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.816 3.552 2.551 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.415 1.780 2.028 1.00 0.00 C ATOM 0 H ILE A 71 99.671 4.619 5.064 1.00 0.00 H new ATOM 0 HA ILE A 71 100.891 6.143 2.774 1.00 0.00 H new ATOM 0 HB ILE A 71 100.166 4.222 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.703 2.715 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.406 3.419 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.932 2.611 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.506 4.291 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.034 3.395 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.725 1.031 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.103 2.075 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.420 1.360 1.986 1.00 0.00 H new ATOM 982 N PHE A 72 98.442 6.477 1.863 1.00 0.00 N ATOM 983 CA PHE A 72 97.041 6.970 1.687 1.00 0.00 C ATOM 984 C PHE A 72 96.323 6.103 0.647 1.00 0.00 C ATOM 985 O PHE A 72 96.803 5.939 -0.456 1.00 0.00 O ATOM 986 CB PHE A 72 97.171 8.411 1.186 1.00 0.00 C ATOM 987 CG PHE A 72 97.899 9.242 2.214 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.197 9.786 3.295 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.275 9.469 2.085 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.868 10.556 4.250 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.948 10.240 3.042 1.00 0.00 C ATOM 992 CZ PHE A 72 99.244 10.783 4.124 1.00 0.00 C ATOM 0 H PHE A 72 99.066 6.628 1.070 1.00 0.00 H new ATOM 0 HA PHE A 72 96.465 6.922 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.711 8.430 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.183 8.831 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.136 9.611 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.816 9.051 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.325 10.975 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.009 10.415 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.763 11.377 4.862 1.00 0.00 H new ATOM 1002 N ILE A 73 95.191 5.544 0.989 1.00 0.00 N ATOM 1003 CA ILE A 73 94.457 4.678 0.013 1.00 0.00 C ATOM 1004 C ILE A 73 93.028 5.190 -0.190 1.00 0.00 C ATOM 1005 O ILE A 73 92.364 5.587 0.750 1.00 0.00 O ATOM 1006 CB ILE A 73 94.482 3.274 0.628 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.935 2.802 0.711 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.682 2.301 -0.245 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.014 1.481 1.479 1.00 0.00 C ATOM 0 H ILE A 73 94.742 5.648 1.899 1.00 0.00 H new ATOM 0 HA ILE A 73 94.915 4.681 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 73 94.036 3.304 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.342 2.674 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.544 3.558 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.707 1.307 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.649 2.641 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 73 94.121 2.262 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.052 1.153 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.625 1.623 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.421 0.725 0.965 1.00 0.00 H new ATOM 1021 N ARG A 74 92.556 5.189 -1.411 1.00 0.00 N ATOM 1022 CA ARG A 74 91.177 5.677 -1.685 1.00 0.00 C ATOM 1023 C ARG A 74 90.231 4.487 -1.849 1.00 0.00 C ATOM 1024 O ARG A 74 90.614 3.439 -2.336 1.00 0.00 O ATOM 1025 CB ARG A 74 91.298 6.469 -2.986 1.00 0.00 C ATOM 1026 CG ARG A 74 89.934 7.034 -3.387 1.00 0.00 C ATOM 1027 CD ARG A 74 89.860 7.141 -4.912 1.00 0.00 C ATOM 1028 NE ARG A 74 88.949 6.035 -5.334 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.431 4.967 -5.918 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.189 4.140 -5.255 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.159 4.729 -7.172 1.00 0.00 N ATOM 0 H ARG A 74 93.071 4.869 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 74 90.774 6.289 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.014 7.281 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.681 5.826 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.137 6.389 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 74 89.786 8.015 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 74 89.472 8.112 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.846 7.034 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 74 87.946 6.112 -5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 74 90.409 4.323 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.562 3.309 -5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.571 5.375 -7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.535 3.897 -7.626 1.00 0.00 H new ATOM 1045 N GLY A 75 89.002 4.641 -1.435 1.00 0.00 N ATOM 1046 CA GLY A 75 88.022 3.523 -1.546 1.00 0.00 C ATOM 1047 C GLY A 75 87.690 3.238 -3.009 1.00 0.00 C ATOM 1048 O GLY A 75 87.729 4.109 -3.856 1.00 0.00 O ATOM 0 H GLY A 75 88.633 5.498 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.431 2.627 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.111 3.777 -1.004 1.00 0.00 H new ATOM 1052 N VAL A 76 87.350 2.012 -3.298 1.00 0.00 N ATOM 1053 CA VAL A 76 86.990 1.605 -4.686 1.00 0.00 C ATOM 1054 C VAL A 76 86.066 0.370 -4.638 1.00 0.00 C ATOM 1055 O VAL A 76 85.066 0.318 -5.324 1.00 0.00 O ATOM 1056 CB VAL A 76 88.329 1.299 -5.388 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.951 0.004 -4.854 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.085 1.153 -6.891 1.00 0.00 C ATOM 0 H VAL A 76 87.306 1.257 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 76 86.445 2.379 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 76 89.017 2.121 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.894 -0.186 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.134 0.103 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.268 -0.827 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.028 0.937 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.384 0.337 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.669 2.081 -7.284 1.00 0.00 H new ATOM 1068 N ASP A 77 86.376 -0.607 -3.817 1.00 0.00 N ATOM 1069 CA ASP A 77 85.512 -1.825 -3.708 1.00 0.00 C ATOM 1070 C ASP A 77 85.199 -2.102 -2.239 1.00 0.00 C ATOM 1071 O ASP A 77 85.766 -1.494 -1.352 1.00 0.00 O ATOM 1072 CB ASP A 77 86.334 -2.969 -4.300 1.00 0.00 C ATOM 1073 CG ASP A 77 85.389 -4.052 -4.837 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.490 -4.443 -4.109 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 85.575 -4.465 -5.970 1.00 0.00 O ATOM 0 H ASP A 77 87.198 -0.611 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 77 84.563 -1.703 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.971 -2.596 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.992 -3.390 -3.540 1.00 0.00 H new ATOM 1080 N SER A 78 84.290 -3.008 -1.977 1.00 0.00 N ATOM 1081 CA SER A 78 83.926 -3.318 -0.565 1.00 0.00 C ATOM 1082 C SER A 78 84.594 -4.609 -0.097 1.00 0.00 C ATOM 1083 O SER A 78 85.007 -5.434 -0.889 1.00 0.00 O ATOM 1084 CB SER A 78 82.407 -3.476 -0.572 1.00 0.00 C ATOM 1085 OG SER A 78 82.053 -4.580 -1.397 1.00 0.00 O ATOM 0 H SER A 78 83.785 -3.545 -2.682 1.00 0.00 H new ATOM 0 HA SER A 78 84.257 -2.535 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.042 -3.634 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.937 -2.565 -0.942 1.00 0.00 H new ATOM 0 HG SER A 78 81.079 -4.685 -1.402 1.00 0.00 H new ATOM 1091 N GLY A 79 84.691 -4.780 1.194 1.00 0.00 N ATOM 1092 CA GLY A 79 85.319 -6.006 1.751 1.00 0.00 C ATOM 1093 C GLY A 79 84.437 -6.548 2.873 1.00 0.00 C ATOM 1094 O GLY A 79 83.705 -5.811 3.507 1.00 0.00 O ATOM 0 H GLY A 79 84.358 -4.114 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.438 -6.757 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.315 -5.780 2.131 1.00 0.00 H new ATOM 1098 N ARG A 80 84.522 -7.824 3.144 1.00 0.00 N ATOM 1099 CA ARG A 80 83.711 -8.416 4.255 1.00 0.00 C ATOM 1100 C ARG A 80 84.078 -7.738 5.580 1.00 0.00 C ATOM 1101 O ARG A 80 83.258 -7.593 6.466 1.00 0.00 O ATOM 1102 CB ARG A 80 84.089 -9.896 4.290 1.00 0.00 C ATOM 1103 CG ARG A 80 83.527 -10.592 3.049 1.00 0.00 C ATOM 1104 CD ARG A 80 83.821 -12.091 3.124 1.00 0.00 C ATOM 1105 NE ARG A 80 82.950 -12.596 4.221 1.00 0.00 N ATOM 1106 CZ ARG A 80 81.715 -12.936 3.971 1.00 0.00 C ATOM 1107 NH1 ARG A 80 81.439 -14.153 3.589 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 80.756 -12.060 4.101 1.00 0.00 N ATOM 0 H ARG A 80 85.118 -8.484 2.645 1.00 0.00 H new ATOM 0 HA ARG A 80 82.640 -8.280 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.173 -10.005 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.694 -10.363 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.452 -10.425 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 80 83.973 -10.168 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 80 83.595 -12.586 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.874 -12.277 3.337 1.00 0.00 H new ATOM 0 HE ARG A 80 83.319 -12.676 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 80 82.188 -14.837 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 80 80.474 -14.420 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 80 80.971 -11.108 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 80 79.791 -12.327 3.905 1.00 0.00 H new ATOM 1122 N GLY A 81 85.311 -7.318 5.707 1.00 0.00 N ATOM 1123 CA GLY A 81 85.758 -6.639 6.958 1.00 0.00 C ATOM 1124 C GLY A 81 87.208 -6.188 6.794 1.00 0.00 C ATOM 1125 O GLY A 81 87.824 -6.420 5.770 1.00 0.00 O ATOM 0 H GLY A 81 86.031 -7.418 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.119 -5.781 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.669 -7.318 7.806 1.00 0.00 H new ATOM 1129 N GLY A 82 87.770 -5.572 7.805 1.00 0.00 N ATOM 1130 CA GLY A 82 89.196 -5.124 7.740 1.00 0.00 C ATOM 1131 C GLY A 82 89.483 -4.312 6.469 1.00 0.00 C ATOM 1132 O GLY A 82 88.620 -4.088 5.643 1.00 0.00 O ATOM 0 H GLY A 82 87.296 -5.358 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.427 -4.519 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.852 -5.994 7.771 1.00 0.00 H new ATOM 1136 N PHE A 83 90.709 -3.897 6.314 1.00 0.00 N ATOM 1137 CA PHE A 83 91.130 -3.123 5.110 1.00 0.00 C ATOM 1138 C PHE A 83 91.995 -4.014 4.224 1.00 0.00 C ATOM 1139 O PHE A 83 92.967 -4.578 4.683 1.00 0.00 O ATOM 1140 CB PHE A 83 91.997 -1.986 5.659 1.00 0.00 C ATOM 1141 CG PHE A 83 91.138 -0.865 6.189 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.708 -0.877 7.521 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.785 0.194 5.347 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.921 0.171 8.010 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.999 1.244 5.835 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.568 1.232 7.167 1.00 0.00 C ATOM 0 H PHE A 83 91.456 -4.066 6.988 1.00 0.00 H new ATOM 0 HA PHE A 83 90.282 -2.764 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.640 -2.364 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.651 -1.609 4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.984 -1.695 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.119 0.202 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.586 0.162 9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.725 2.062 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.962 2.042 7.545 1.00 0.00 H new ATOM 1156 N ASN A 84 91.668 -4.133 2.959 1.00 0.00 N ATOM 1157 CA ASN A 84 92.504 -4.983 2.060 1.00 0.00 C ATOM 1158 C ASN A 84 93.098 -4.097 0.962 1.00 0.00 C ATOM 1159 O ASN A 84 92.383 -3.353 0.315 1.00 0.00 O ATOM 1160 CB ASN A 84 91.541 -6.018 1.477 1.00 0.00 C ATOM 1161 CG ASN A 84 92.335 -7.096 0.736 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.332 -6.807 0.105 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.932 -8.337 0.793 1.00 0.00 N ATOM 0 H ASN A 84 90.867 -3.683 2.516 1.00 0.00 H new ATOM 0 HA ASN A 84 93.333 -5.470 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.950 -6.470 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.840 -5.535 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.455 -9.066 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.095 -8.577 1.323 1.00 0.00 H new ATOM 1170 N VAL A 85 94.392 -4.139 0.765 1.00 0.00 N ATOM 1171 CA VAL A 85 95.005 -3.255 -0.275 1.00 0.00 C ATOM 1172 C VAL A 85 95.935 -4.033 -1.199 1.00 0.00 C ATOM 1173 O VAL A 85 96.229 -5.192 -0.971 1.00 0.00 O ATOM 1174 CB VAL A 85 95.796 -2.200 0.512 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.840 -1.402 1.402 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.858 -2.882 1.390 1.00 0.00 C ATOM 0 H VAL A 85 95.044 -4.738 1.271 1.00 0.00 H new ATOM 0 HA VAL A 85 94.242 -2.813 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 85 96.290 -1.530 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.402 -0.653 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.093 -0.907 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.343 -2.077 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.413 -2.125 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.370 -3.559 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.545 -3.446 0.759 1.00 0.00 H new ATOM 1186 N ASN A 86 96.410 -3.398 -2.242 1.00 0.00 N ATOM 1187 CA ASN A 86 97.341 -4.096 -3.184 1.00 0.00 C ATOM 1188 C ASN A 86 98.545 -4.646 -2.403 1.00 0.00 C ATOM 1189 O ASN A 86 98.901 -4.105 -1.374 1.00 0.00 O ATOM 1190 CB ASN A 86 97.811 -3.018 -4.164 1.00 0.00 C ATOM 1191 CG ASN A 86 96.661 -2.599 -5.081 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.512 -2.899 -4.819 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.926 -1.906 -6.155 1.00 0.00 N ATOM 0 H ASN A 86 96.195 -2.430 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 86 96.860 -4.930 -3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.181 -2.153 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.642 -3.396 -4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.169 -1.616 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.890 -1.654 -6.375 1.00 0.00 H new ATOM 1200 N PRO A 87 99.141 -5.700 -2.907 1.00 0.00 N ATOM 1201 CA PRO A 87 100.312 -6.291 -2.220 1.00 0.00 C ATOM 1202 C PRO A 87 101.479 -5.309 -2.230 1.00 0.00 C ATOM 1203 O PRO A 87 102.313 -5.343 -1.347 1.00 0.00 O ATOM 1204 CB PRO A 87 100.617 -7.552 -3.027 1.00 0.00 C ATOM 1205 CG PRO A 87 100.033 -7.285 -4.375 1.00 0.00 C ATOM 1206 CD PRO A 87 98.815 -6.427 -4.145 1.00 0.00 C ATOM 0 HA PRO A 87 100.129 -6.520 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.690 -7.734 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.170 -8.434 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.752 -6.776 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.764 -8.216 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.640 -5.745 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.914 -7.030 -4.032 1.00 0.00 H new ATOM 1214 N THR A 88 101.544 -4.418 -3.187 1.00 0.00 N ATOM 1215 CA THR A 88 102.662 -3.426 -3.199 1.00 0.00 C ATOM 1216 C THR A 88 102.473 -2.434 -2.046 1.00 0.00 C ATOM 1217 O THR A 88 103.422 -2.069 -1.379 1.00 0.00 O ATOM 1218 CB THR A 88 102.577 -2.725 -4.549 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.724 -3.684 -5.588 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.684 -1.671 -4.666 1.00 0.00 C ATOM 0 H THR A 88 100.877 -4.334 -3.955 1.00 0.00 H new ATOM 0 HA THR A 88 103.638 -3.893 -3.067 1.00 0.00 H new ATOM 0 HB THR A 88 101.608 -2.233 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.668 -3.235 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.614 -1.176 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.569 -0.933 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.657 -2.154 -4.575 1.00 0.00 H new ATOM 1228 N ALA A 89 101.258 -2.013 -1.793 1.00 0.00 N ATOM 1229 CA ALA A 89 101.023 -1.064 -0.665 1.00 0.00 C ATOM 1230 C ALA A 89 101.314 -1.786 0.645 1.00 0.00 C ATOM 1231 O ALA A 89 101.915 -1.237 1.550 1.00 0.00 O ATOM 1232 CB ALA A 89 99.544 -0.670 -0.759 1.00 0.00 C ATOM 0 H ALA A 89 100.425 -2.284 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 89 101.661 -0.181 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.302 0.028 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.354 -0.197 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.923 -1.561 -0.664 1.00 0.00 H new ATOM 1238 N PHE A 90 100.908 -3.021 0.739 1.00 0.00 N ATOM 1239 CA PHE A 90 101.176 -3.810 1.984 1.00 0.00 C ATOM 1240 C PHE A 90 102.684 -3.935 2.233 1.00 0.00 C ATOM 1241 O PHE A 90 103.162 -3.702 3.326 1.00 0.00 O ATOM 1242 CB PHE A 90 100.579 -5.194 1.720 1.00 0.00 C ATOM 1243 CG PHE A 90 100.627 -6.008 2.992 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.748 -6.796 3.281 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.550 -5.969 3.886 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.789 -7.546 4.464 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.593 -6.717 5.068 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.712 -7.505 5.357 1.00 0.00 C ATOM 0 H PHE A 90 100.401 -3.523 0.010 1.00 0.00 H new ATOM 0 HA PHE A 90 100.743 -3.331 2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.550 -5.099 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.136 -5.699 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.580 -6.826 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.685 -5.361 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.652 -8.156 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.762 -6.686 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.745 -8.082 6.269 1.00 0.00 H new ATOM 1258 N THR A 91 103.430 -4.339 1.233 1.00 0.00 N ATOM 1259 CA THR A 91 104.907 -4.525 1.411 1.00 0.00 C ATOM 1260 C THR A 91 105.590 -3.210 1.797 1.00 0.00 C ATOM 1261 O THR A 91 106.494 -3.182 2.603 1.00 0.00 O ATOM 1262 CB THR A 91 105.421 -5.002 0.046 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.760 -6.204 -0.311 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.923 -5.274 0.134 1.00 0.00 C ATOM 0 H THR A 91 103.080 -4.549 0.298 1.00 0.00 H new ATOM 0 HA THR A 91 105.123 -5.235 2.210 1.00 0.00 H new ATOM 0 HB THR A 91 105.226 -4.233 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.893 -5.993 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.289 -5.613 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.442 -4.359 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.110 -6.044 0.882 1.00 0.00 H new ATOM 1272 N LYS A 92 105.174 -2.131 1.199 1.00 0.00 N ATOM 1273 CA LYS A 92 105.806 -0.813 1.510 1.00 0.00 C ATOM 1274 C LYS A 92 105.443 -0.351 2.920 1.00 0.00 C ATOM 1275 O LYS A 92 106.262 0.199 3.633 1.00 0.00 O ATOM 1276 CB LYS A 92 105.246 0.156 0.472 1.00 0.00 C ATOM 1277 CG LYS A 92 105.825 -0.185 -0.904 1.00 0.00 C ATOM 1278 CD LYS A 92 105.417 0.888 -1.916 1.00 0.00 C ATOM 1279 CE LYS A 92 103.906 0.829 -2.148 1.00 0.00 C ATOM 1280 NZ LYS A 92 103.621 1.935 -3.103 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.424 -2.101 0.508 1.00 0.00 H new ATOM 0 HA LYS A 92 106.894 -0.872 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.158 0.092 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.499 1.181 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.912 -0.250 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.465 -1.161 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 92 105.700 1.874 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.946 0.734 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 92 103.607 -0.135 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 92 103.358 0.961 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.609 2.172 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 104.182 2.771 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 103.873 1.635 -4.066 1.00 0.00 H new ATOM 1294 N LEU A 93 104.218 -0.556 3.314 1.00 0.00 N ATOM 1295 CA LEU A 93 103.781 -0.115 4.675 1.00 0.00 C ATOM 1296 C LEU A 93 104.429 -0.968 5.774 1.00 0.00 C ATOM 1297 O LEU A 93 104.843 -0.458 6.798 1.00 0.00 O ATOM 1298 CB LEU A 93 102.262 -0.299 4.671 1.00 0.00 C ATOM 1299 CG LEU A 93 101.669 0.119 6.018 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.807 1.632 6.191 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.188 -0.268 6.055 1.00 0.00 C ATOM 0 H LEU A 93 103.497 -1.010 2.754 1.00 0.00 H new ATOM 0 HA LEU A 93 104.076 0.914 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.820 0.296 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 93 102.016 -1.341 4.466 1.00 0.00 H new ATOM 0 HG LEU A 93 102.201 -0.385 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.384 1.929 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.861 1.907 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.274 2.140 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.759 0.027 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.659 0.240 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.091 -1.346 5.931 1.00 0.00 H new ATOM 1313 N VAL A 94 104.484 -2.261 5.585 1.00 0.00 N ATOM 1314 CA VAL A 94 105.066 -3.159 6.641 1.00 0.00 C ATOM 1315 C VAL A 94 106.539 -3.482 6.366 1.00 0.00 C ATOM 1316 O VAL A 94 107.355 -3.506 7.268 1.00 0.00 O ATOM 1317 CB VAL A 94 104.218 -4.436 6.571 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.709 -5.446 7.614 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.751 -4.098 6.852 1.00 0.00 C ATOM 0 H VAL A 94 104.152 -2.739 4.747 1.00 0.00 H new ATOM 0 HA VAL A 94 105.044 -2.687 7.623 1.00 0.00 H new ATOM 0 HB VAL A 94 104.311 -4.868 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.103 -6.350 7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.751 -5.696 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.623 -5.012 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.152 -5.007 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.663 -3.660 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.393 -3.386 6.109 1.00 0.00 H new ATOM 1329 N GLY A 95 106.874 -3.740 5.135 1.00 0.00 N ATOM 1330 CA GLY A 95 108.285 -4.079 4.784 1.00 0.00 C ATOM 1331 C GLY A 95 108.328 -5.467 4.143 1.00 0.00 C ATOM 1332 O GLY A 95 109.117 -5.725 3.254 1.00 0.00 O ATOM 0 H GLY A 95 106.226 -3.731 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.689 -3.336 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.909 -4.059 5.678 1.00 0.00 H new ATOM 1336 N SER A 96 107.477 -6.359 4.583 1.00 0.00 N ATOM 1337 CA SER A 96 107.451 -7.733 4.000 1.00 0.00 C ATOM 1338 C SER A 96 106.008 -8.238 3.904 1.00 0.00 C ATOM 1339 O SER A 96 105.150 -7.827 4.663 1.00 0.00 O ATOM 1340 CB SER A 96 108.257 -8.594 4.970 1.00 0.00 C ATOM 1341 OG SER A 96 109.643 -8.441 4.698 1.00 0.00 O ATOM 0 H SER A 96 106.796 -6.193 5.324 1.00 0.00 H new ATOM 0 HA SER A 96 107.866 -7.761 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.042 -8.301 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.969 -9.640 4.870 1.00 0.00 H new ATOM 0 HG SER A 96 109.775 -7.684 4.090 1.00 0.00 H new ATOM 1347 N THR A 97 105.737 -9.132 2.984 1.00 0.00 N ATOM 1348 CA THR A 97 104.349 -9.672 2.847 1.00 0.00 C ATOM 1349 C THR A 97 104.157 -10.926 3.719 1.00 0.00 C ATOM 1350 O THR A 97 103.118 -11.556 3.690 1.00 0.00 O ATOM 1351 CB THR A 97 104.196 -10.024 1.362 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.170 -10.994 1.007 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.386 -8.772 0.505 1.00 0.00 C ATOM 0 H THR A 97 106.416 -9.510 2.323 1.00 0.00 H new ATOM 0 HA THR A 97 103.603 -8.948 3.176 1.00 0.00 H new ATOM 0 HB THR A 97 103.197 -10.425 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.074 -11.222 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.276 -9.032 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.636 -8.028 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.382 -8.362 0.675 1.00 0.00 H new ATOM 1361 N GLU A 98 105.155 -11.292 4.480 1.00 0.00 N ATOM 1362 CA GLU A 98 105.053 -12.508 5.349 1.00 0.00 C ATOM 1363 C GLU A 98 104.075 -12.280 6.507 1.00 0.00 C ATOM 1364 O GLU A 98 103.509 -13.217 7.041 1.00 0.00 O ATOM 1365 CB GLU A 98 106.465 -12.737 5.886 1.00 0.00 C ATOM 1366 CG GLU A 98 107.375 -13.207 4.748 1.00 0.00 C ATOM 1367 CD GLU A 98 108.802 -13.443 5.269 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.082 -13.066 6.397 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 109.593 -13.995 4.522 1.00 0.00 O ATOM 0 H GLU A 98 106.045 -10.798 4.539 1.00 0.00 H new ATOM 0 HA GLU A 98 104.678 -13.366 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.854 -11.816 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.446 -13.481 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 98 106.982 -14.127 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.389 -12.461 3.953 1.00 0.00 H new ATOM 1376 N ALA A 99 103.890 -11.049 6.914 1.00 0.00 N ATOM 1377 CA ALA A 99 102.964 -10.766 8.058 1.00 0.00 C ATOM 1378 C ALA A 99 101.549 -11.245 7.733 1.00 0.00 C ATOM 1379 O ALA A 99 100.866 -11.791 8.580 1.00 0.00 O ATOM 1380 CB ALA A 99 102.986 -9.245 8.231 1.00 0.00 C ATOM 0 H ALA A 99 104.338 -10.228 6.506 1.00 0.00 H new ATOM 0 HA ALA A 99 103.273 -11.283 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.329 -8.963 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.003 -8.918 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.642 -8.769 7.312 1.00 0.00 H new ATOM 1386 N GLY A 100 101.109 -11.053 6.517 1.00 0.00 N ATOM 1387 CA GLY A 100 99.739 -11.500 6.138 1.00 0.00 C ATOM 1388 C GLY A 100 98.719 -10.454 6.590 1.00 0.00 C ATOM 1389 O GLY A 100 98.253 -9.651 5.804 1.00 0.00 O ATOM 0 H GLY A 100 101.641 -10.605 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.677 -11.642 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.518 -12.462 6.600 1.00 0.00 H new ATOM 1393 N ARG A 101 98.373 -10.461 7.852 1.00 0.00 N ATOM 1394 CA ARG A 101 97.384 -9.471 8.367 1.00 0.00 C ATOM 1395 C ARG A 101 97.902 -8.814 9.648 1.00 0.00 C ATOM 1396 O ARG A 101 98.452 -9.475 10.510 1.00 0.00 O ATOM 1397 CB ARG A 101 96.126 -10.286 8.671 1.00 0.00 C ATOM 1398 CG ARG A 101 95.027 -9.367 9.213 1.00 0.00 C ATOM 1399 CD ARG A 101 93.833 -10.213 9.658 1.00 0.00 C ATOM 1400 NE ARG A 101 94.323 -10.991 10.834 1.00 0.00 N ATOM 1401 CZ ARG A 101 93.490 -11.700 11.545 1.00 0.00 C ATOM 1402 NH1 ARG A 101 92.989 -12.802 11.056 1.00 0.00 N ATOM 1403 NH2 ARG A 101 93.158 -11.310 12.745 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.735 -11.112 8.549 1.00 0.00 H new ATOM 0 HA ARG A 101 97.197 -8.673 7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.780 -10.787 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.354 -11.064 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.406 -8.783 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.719 -8.658 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 101 92.984 -9.585 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.499 -10.875 8.859 1.00 0.00 H new ATOM 0 HE ARG A 101 95.312 -10.968 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 101 93.249 -13.108 10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.338 -13.357 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.550 -10.450 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.507 -11.865 13.300 1.00 0.00 H new ATOM 1417 N VAL A 102 97.711 -7.525 9.792 1.00 0.00 N ATOM 1418 CA VAL A 102 98.175 -6.842 11.037 1.00 0.00 C ATOM 1419 C VAL A 102 96.982 -6.193 11.749 1.00 0.00 C ATOM 1420 O VAL A 102 96.327 -5.319 11.215 1.00 0.00 O ATOM 1421 CB VAL A 102 99.185 -5.787 10.574 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.725 -5.023 11.786 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.346 -6.476 9.853 1.00 0.00 C ATOM 0 H VAL A 102 97.257 -6.921 9.106 1.00 0.00 H new ATOM 0 HA VAL A 102 98.629 -7.534 11.746 1.00 0.00 H new ATOM 0 HB VAL A 102 98.693 -5.090 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.443 -4.273 11.453 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.901 -4.532 12.303 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.216 -5.719 12.466 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.065 -5.727 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.835 -7.173 10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.966 -7.020 8.988 1.00 0.00 H new ATOM 1433 N ASP A 103 96.689 -6.641 12.941 1.00 0.00 N ATOM 1434 CA ASP A 103 95.525 -6.086 13.695 1.00 0.00 C ATOM 1435 C ASP A 103 95.880 -4.759 14.370 1.00 0.00 C ATOM 1436 O ASP A 103 97.025 -4.357 14.423 1.00 0.00 O ATOM 1437 CB ASP A 103 95.188 -7.147 14.746 1.00 0.00 C ATOM 1438 CG ASP A 103 94.615 -8.398 14.073 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.091 -8.278 12.979 1.00 0.00 O ATOM 1440 OD2 ASP A 103 94.715 -9.460 14.665 1.00 0.00 O1- ATOM 0 H ASP A 103 97.208 -7.371 13.428 1.00 0.00 H new ATOM 0 HA ASP A 103 94.685 -5.876 13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 103 96.084 -7.407 15.310 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.467 -6.747 15.459 1.00 0.00 H new ATOM 1445 N ASN A 104 94.880 -4.086 14.890 1.00 0.00 N ATOM 1446 CA ASN A 104 95.083 -2.776 15.595 1.00 0.00 C ATOM 1447 C ASN A 104 95.707 -1.723 14.672 1.00 0.00 C ATOM 1448 O ASN A 104 96.544 -0.942 15.087 1.00 0.00 O ATOM 1449 CB ASN A 104 96.005 -3.073 16.785 1.00 0.00 C ATOM 1450 CG ASN A 104 95.313 -4.052 17.737 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.106 -4.192 17.716 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.034 -4.745 18.576 1.00 0.00 N ATOM 0 H ASN A 104 93.909 -4.396 14.855 1.00 0.00 H new ATOM 0 HA ASN A 104 94.128 -2.361 15.919 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.946 -3.496 16.433 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.247 -2.149 17.310 1.00 0.00 H new ATOM 0 HD21 ASN A 104 95.584 -5.403 19.213 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.047 -4.629 18.595 1.00 0.00 H new ATOM 1459 N VAL A 105 95.286 -1.684 13.435 1.00 0.00 N ATOM 1460 CA VAL A 105 95.836 -0.662 12.492 1.00 0.00 C ATOM 1461 C VAL A 105 95.043 0.638 12.643 1.00 0.00 C ATOM 1462 O VAL A 105 93.827 0.634 12.565 1.00 0.00 O ATOM 1463 CB VAL A 105 95.637 -1.241 11.090 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.157 -0.246 10.038 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.395 -2.570 10.964 1.00 0.00 C ATOM 0 H VAL A 105 94.588 -2.312 13.037 1.00 0.00 H new ATOM 0 HA VAL A 105 96.886 -0.443 12.685 1.00 0.00 H new ATOM 0 HB VAL A 105 94.574 -1.417 10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 105 96.013 -0.662 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.608 0.692 10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.218 -0.062 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.250 -2.978 9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.458 -2.400 11.136 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.016 -3.276 11.703 1.00 0.00 H new ATOM 1475 N ASN A 106 95.709 1.748 12.857 1.00 0.00 N ATOM 1476 CA ASN A 106 94.960 3.029 13.008 1.00 0.00 C ATOM 1477 C ASN A 106 94.728 3.668 11.638 1.00 0.00 C ATOM 1478 O ASN A 106 95.580 3.653 10.770 1.00 0.00 O ATOM 1479 CB ASN A 106 95.811 3.922 13.910 1.00 0.00 C ATOM 1480 CG ASN A 106 95.789 3.375 15.336 1.00 0.00 C ATOM 1481 OD1 ASN A 106 96.802 2.943 15.850 1.00 0.00 O ATOM 1482 ND2 ASN A 106 94.668 3.380 16.004 1.00 0.00 N ATOM 0 H ASN A 106 96.724 1.820 12.932 1.00 0.00 H new ATOM 0 HA ASN A 106 93.976 2.873 13.449 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.835 3.960 13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.428 4.942 13.895 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.641 3.021 16.958 1.00 0.00 H new ATOM 0 HD22 ASN A 106 93.818 3.743 15.572 1.00 0.00 H new ATOM 1489 N TYR A 107 93.561 4.219 11.451 1.00 0.00 N ATOM 1490 CA TYR A 107 93.210 4.862 10.152 1.00 0.00 C ATOM 1491 C TYR A 107 92.437 6.164 10.387 1.00 0.00 C ATOM 1492 O TYR A 107 91.658 6.269 11.315 1.00 0.00 O ATOM 1493 CB TYR A 107 92.323 3.834 9.433 1.00 0.00 C ATOM 1494 CG TYR A 107 91.115 3.495 10.278 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.185 2.443 11.198 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.930 4.226 10.136 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.070 2.121 11.979 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.814 3.904 10.918 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.884 2.852 11.839 1.00 0.00 C ATOM 1500 OH TYR A 107 87.783 2.535 12.609 1.00 0.00 O ATOM 0 H TYR A 107 92.823 4.252 12.155 1.00 0.00 H new ATOM 0 HA TYR A 107 94.094 5.124 9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 107 92.001 4.232 8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.896 2.930 9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.100 1.879 11.305 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.876 5.037 9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.124 1.309 12.689 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.899 4.467 10.811 1.00 0.00 H new ATOM 0 HH TYR A 107 87.044 3.140 12.388 1.00 0.00 H new ATOM 1510 N VAL A 108 92.653 7.157 9.558 1.00 0.00 N ATOM 1511 CA VAL A 108 91.931 8.456 9.743 1.00 0.00 C ATOM 1512 C VAL A 108 91.597 9.103 8.393 1.00 0.00 C ATOM 1513 O VAL A 108 92.386 9.070 7.469 1.00 0.00 O ATOM 1514 CB VAL A 108 92.900 9.345 10.535 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.189 8.703 11.893 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.215 9.503 9.761 1.00 0.00 C ATOM 0 H VAL A 108 93.294 7.125 8.765 1.00 0.00 H new ATOM 0 HA VAL A 108 90.982 8.314 10.260 1.00 0.00 H new ATOM 0 HB VAL A 108 92.446 10.325 10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.877 9.335 12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.258 8.595 12.450 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.638 7.721 11.743 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.898 10.135 10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.668 8.523 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.015 9.963 8.793 1.00 0.00 H new ATOM 1526 N GLN A 109 90.437 9.709 8.285 1.00 0.00 N ATOM 1527 CA GLN A 109 90.055 10.383 7.007 1.00 0.00 C ATOM 1528 C GLN A 109 90.849 11.673 6.848 1.00 0.00 C ATOM 1529 O GLN A 109 90.972 12.452 7.776 1.00 0.00 O ATOM 1530 CB GLN A 109 88.569 10.720 7.137 1.00 0.00 C ATOM 1531 CG GLN A 109 88.040 11.194 5.784 1.00 0.00 C ATOM 1532 CD GLN A 109 86.534 11.439 5.877 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.064 12.057 6.811 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.752 10.977 4.942 1.00 0.00 N ATOM 0 H GLN A 109 89.740 9.765 9.028 1.00 0.00 H new ATOM 0 HA GLN A 109 90.256 9.747 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.013 9.844 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.424 11.495 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.549 12.110 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.250 10.447 5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.146 10.458 4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.746 11.135 4.995 1.00 0.00 H new ATOM 1543 N VAL A 110 91.374 11.911 5.678 1.00 0.00 N ATOM 1544 CA VAL A 110 92.146 13.162 5.451 1.00 0.00 C ATOM 1545 C VAL A 110 91.675 13.823 4.152 1.00 0.00 C ATOM 1546 O VAL A 110 90.884 13.258 3.420 1.00 0.00 O ATOM 1547 CB VAL A 110 93.614 12.730 5.354 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.046 12.104 6.683 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.787 11.706 4.221 1.00 0.00 C ATOM 0 H VAL A 110 91.301 11.293 4.870 1.00 0.00 H new ATOM 0 HA VAL A 110 92.008 13.890 6.250 1.00 0.00 H new ATOM 0 HB VAL A 110 94.232 13.602 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.089 11.796 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.933 12.835 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.423 11.235 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.833 11.405 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.169 10.831 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.482 12.155 3.275 1.00 0.00 H new ATOM 1559 N ASP A 111 92.146 15.007 3.860 1.00 0.00 N ATOM 1560 CA ASP A 111 91.715 15.695 2.601 1.00 0.00 C ATOM 1561 C ASP A 111 92.097 14.856 1.375 1.00 0.00 C ATOM 1562 O ASP A 111 93.076 14.133 1.385 1.00 0.00 O ATOM 1563 CB ASP A 111 92.462 17.030 2.592 1.00 0.00 C ATOM 1564 CG ASP A 111 91.904 17.949 3.684 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.744 17.794 4.034 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.646 18.799 4.148 1.00 0.00 O ATOM 0 H ASP A 111 92.808 15.528 4.435 1.00 0.00 H new ATOM 0 HA ASP A 111 90.635 15.836 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.526 16.862 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.361 17.507 1.617 1.00 0.00 H new ATOM 1571 N LEU A 112 91.327 14.950 0.321 1.00 0.00 N ATOM 1572 CA LEU A 112 91.627 14.166 -0.922 1.00 0.00 C ATOM 1573 C LEU A 112 93.004 14.537 -1.472 1.00 0.00 C ATOM 1574 O LEU A 112 93.732 13.695 -1.964 1.00 0.00 O ATOM 1575 CB LEU A 112 90.541 14.564 -1.921 1.00 0.00 C ATOM 1576 CG LEU A 112 90.752 13.813 -3.243 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.405 13.539 -3.908 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.616 14.667 -4.177 1.00 0.00 C ATOM 0 H LEU A 112 90.497 15.540 0.265 1.00 0.00 H new ATOM 0 HA LEU A 112 91.637 13.093 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.557 14.333 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.570 15.640 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 112 91.250 12.865 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.564 13.006 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.789 12.932 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.900 14.484 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.768 14.137 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.114 15.615 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.581 14.857 -3.707 1.00 0.00 H new ATOM 1590 N SER A 113 93.353 15.797 -1.418 1.00 0.00 N ATOM 1591 CA SER A 113 94.674 16.240 -1.965 1.00 0.00 C ATOM 1592 C SER A 113 95.813 15.416 -1.355 1.00 0.00 C ATOM 1593 O SER A 113 96.763 15.081 -2.027 1.00 0.00 O ATOM 1594 CB SER A 113 94.803 17.707 -1.563 1.00 0.00 C ATOM 1595 OG SER A 113 93.783 18.461 -2.204 1.00 0.00 O ATOM 0 H SER A 113 92.780 16.540 -1.018 1.00 0.00 H new ATOM 0 HA SER A 113 94.732 16.106 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.720 17.808 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.785 18.088 -1.845 1.00 0.00 H new ATOM 0 HG SER A 113 93.862 19.403 -1.947 1.00 0.00 H new ATOM 1601 N ASN A 114 95.721 15.091 -0.095 1.00 0.00 N ATOM 1602 CA ASN A 114 96.798 14.281 0.562 1.00 0.00 C ATOM 1603 C ASN A 114 96.959 12.919 -0.121 1.00 0.00 C ATOM 1604 O ASN A 114 98.061 12.447 -0.310 1.00 0.00 O ATOM 1605 CB ASN A 114 96.355 14.105 2.015 1.00 0.00 C ATOM 1606 CG ASN A 114 96.471 15.442 2.749 1.00 0.00 C ATOM 1607 OD1 ASN A 114 95.496 15.954 3.262 1.00 0.00 O ATOM 1608 ND2 ASN A 114 97.633 16.032 2.826 1.00 0.00 N ATOM 0 H ASN A 114 94.945 15.350 0.514 1.00 0.00 H new ATOM 0 HA ASN A 114 97.766 14.778 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.327 13.746 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 114 96.973 13.353 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 114 97.722 16.922 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 114 98.452 15.603 2.396 1.00 0.00 H new ATOM 1615 N CYS A 115 95.875 12.289 -0.502 1.00 0.00 N ATOM 1616 CA CYS A 115 95.978 10.960 -1.189 1.00 0.00 C ATOM 1617 C CYS A 115 96.781 11.094 -2.482 1.00 0.00 C ATOM 1618 O CYS A 115 97.694 10.332 -2.739 1.00 0.00 O ATOM 1619 CB CYS A 115 94.539 10.558 -1.517 1.00 0.00 C ATOM 1620 SG CYS A 115 93.881 9.522 -0.189 1.00 0.00 S ATOM 0 H CYS A 115 94.925 12.635 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 115 96.480 10.222 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.921 11.448 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.508 10.017 -2.463 1.00 0.00 H new ATOM 1625 N ILE A 116 96.436 12.051 -3.299 1.00 0.00 N ATOM 1626 CA ILE A 116 97.163 12.240 -4.592 1.00 0.00 C ATOM 1627 C ILE A 116 98.589 12.743 -4.331 1.00 0.00 C ATOM 1628 O ILE A 116 99.530 12.322 -4.978 1.00 0.00 O ATOM 1629 CB ILE A 116 96.331 13.267 -5.369 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.926 12.708 -5.604 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.979 13.561 -6.723 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.027 13.802 -6.182 1.00 0.00 C ATOM 0 H ILE A 116 95.680 12.714 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 116 97.269 11.312 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 116 96.278 14.188 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.971 11.861 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.509 12.339 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.377 14.292 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.981 13.960 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.041 12.641 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.027 13.401 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.972 14.635 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.440 14.150 -7.129 1.00 0.00 H new ATOM 1644 N ASN A 117 98.755 13.634 -3.386 1.00 0.00 N ATOM 1645 CA ASN A 117 100.123 14.163 -3.077 1.00 0.00 C ATOM 1646 C ASN A 117 101.033 13.030 -2.588 1.00 0.00 C ATOM 1647 O ASN A 117 102.196 12.963 -2.936 1.00 0.00 O ATOM 1648 CB ASN A 117 99.915 15.194 -1.966 1.00 0.00 C ATOM 1649 CG ASN A 117 99.195 16.424 -2.528 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.199 16.655 -3.721 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.574 17.229 -1.710 1.00 0.00 N ATOM 0 H ASN A 117 98.004 14.019 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 117 100.599 14.600 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.330 14.757 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.876 15.486 -1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.092 18.052 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.570 17.035 -0.709 1.00 0.00 H new ATOM 1658 N GLY A 118 100.506 12.143 -1.785 1.00 0.00 N ATOM 1659 CA GLY A 118 101.326 11.010 -1.265 1.00 0.00 C ATOM 1660 C GLY A 118 101.658 10.057 -2.412 1.00 0.00 C ATOM 1661 O GLY A 118 102.766 9.567 -2.523 1.00 0.00 O ATOM 0 H GLY A 118 99.537 12.155 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.244 11.388 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.781 10.481 -0.484 1.00 0.00 H new ATOM 1665 N ALA A 119 100.700 9.792 -3.262 1.00 0.00 N ATOM 1666 CA ALA A 119 100.945 8.866 -4.409 1.00 0.00 C ATOM 1667 C ALA A 119 102.027 9.438 -5.333 1.00 0.00 C ATOM 1668 O ALA A 119 102.871 8.715 -5.831 1.00 0.00 O ATOM 1669 CB ALA A 119 99.607 8.770 -5.146 1.00 0.00 C ATOM 0 H ALA A 119 99.757 10.177 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 119 101.295 7.889 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.711 8.105 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.847 8.376 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.309 9.761 -5.490 1.00 0.00 H new ATOM 1675 N ASN A 120 102.006 10.727 -5.564 1.00 0.00 N ATOM 1676 CA ASN A 120 103.030 11.350 -6.458 1.00 0.00 C ATOM 1677 C ASN A 120 103.043 12.873 -6.282 1.00 0.00 C ATOM 1678 O ASN A 120 102.382 13.352 -5.376 1.00 0.00 O ATOM 1679 CB ASN A 120 102.598 10.971 -7.880 1.00 0.00 C ATOM 1680 CG ASN A 120 101.191 11.510 -8.171 1.00 0.00 C ATOM 1681 OD1 ASN A 120 100.611 12.209 -7.363 1.00 0.00 O ATOM 1682 ND2 ASN A 120 100.612 11.206 -9.301 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.710 13.533 -7.060 1.00 0.00 O ATOM 0 H ASN A 120 101.323 11.375 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 120 104.038 11.003 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 120 103.307 11.376 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.610 9.887 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 120 99.675 11.555 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 120 101.096 10.620 -9.981 1.00 0.00 H new