USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 987 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 5 THR OG1 : rot -110:sc= -0.41 USER MOD Set 1.2: A 127 HIS : no HE2:sc= 0.602 K(o=0.19,f=-2.3!) USER MOD Set 2.1: A 86 THR OG1 : rot 92:sc= 0.52 USER MOD Set 2.2: A 115 GLN : amide:sc= 1.02 K(o=1.5,f=0.054) USER MOD Set 3.1: A 78 TYR OH : rot 180:sc= -0.321 USER MOD Set 3.2: A 82 LYS NZ :NH3+ -173:sc=-0.00157 (180deg=-0.0813) USER MOD Set 4.1: A 71 GLN :FLIP amide:sc= -0.246 F(o=-0.92,f=-0.25) USER MOD Set 4.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 47 LYS NZ :NH3+ -138:sc= 0.23 (180deg=-0.0142) USER MOD Set 5.2: A 56 TYR OH : rot 38:sc= 1.58 USER MOD Set 5.3: A 69 HIS : no HD1:sc= -0.218 X(o=1.6,f=1.7) USER MOD Set 6.1: A 21 THR OG1 : rot 100:sc= 0.655 USER MOD Set 6.2: A 37 ASN : amide:sc= -0.0537 X(o=0.6,f=0.26) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0531) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0246 (180deg=-0.326) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0.651 (180deg=0.599) USER MOD Single : A 6 TYR OH : rot 72:sc= 0.874 USER MOD Single : A 7 TYR OH : rot 81:sc= 0.493 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.636 (180deg=0.479) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 0.592 (180deg=0.168) USER MOD Single : A 28 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.0089) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -145:sc= 0.62 USER MOD Single : A 40 ASN : amide:sc= 0.444 K(o=0.44,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.267 K(o=0.27,f=-5.1!) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.442 (180deg=0.376) USER MOD Single : A 58 MET CE :methyl 139:sc= -0.0628 (180deg=-0.75) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.523 K(o=-0.52,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 44:sc= -1.44 USER MOD Single : A 91 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.792) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.187 K(o=0.22,f=-1.6) USER MOD Single : A 97 THR OG1 : rot 91:sc= 0.181 USER MOD Single : A 101 SER OG : rot 32:sc= 0.14 USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 0.0507 (180deg=-0.0534) USER MOD Single : A 108 LYS NZ :NH3+ -158:sc= 0.737 (180deg=0.471) USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 0.0173 (180deg=-0.000314) USER MOD Single : A 116 LYS NZ :NH3+ -122:sc= 0.0264 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 169:sc= 0.933 (180deg=0.783) USER MOD Single : A 123 LYS NZ :NH3+ -124:sc= -0.146 (180deg=-0.985!) USER MOD Single : A 126 HIS : no HE2:sc= 0.172 K(o=0.17,f=-0.66) USER MOD Single : A 128 HIS : no HD1:sc= -0.345 K(o=-0.34,f=-1.7) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0.467 K(o=0.47,f=-1.8!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.301 -9.957 16.072 1.00 24.51 N ATOM 2 CA MET A 1 4.932 -9.784 14.748 1.00 71.11 C ATOM 3 C MET A 1 6.061 -10.785 14.571 1.00 4.34 C ATOM 4 O MET A 1 7.167 -10.603 15.091 1.00 0.11 O ATOM 5 CB MET A 1 5.448 -8.352 14.579 1.00 14.30 C ATOM 6 CG MET A 1 4.338 -7.313 14.509 1.00 4.24 C ATOM 7 SD MET A 1 4.935 -5.619 14.687 1.00 22.53 S ATOM 8 CE MET A 1 6.015 -5.450 13.267 1.00 52.15 C ATOM 0 H1 MET A 1 3.359 -9.517 16.068 1.00 24.51 H new ATOM 0 H2 MET A 1 4.208 -10.971 16.283 1.00 24.51 H new ATOM 0 H3 MET A 1 4.891 -9.505 16.799 1.00 24.51 H new ATOM 0 HA MET A 1 4.182 -9.967 13.979 1.00 71.11 H new ATOM 0 HB2 MET A 1 6.109 -8.111 15.412 1.00 14.30 H new ATOM 0 HB3 MET A 1 6.047 -8.295 13.670 1.00 14.30 H new ATOM 0 HG2 MET A 1 3.819 -7.410 13.556 1.00 4.24 H new ATOM 0 HG3 MET A 1 3.608 -7.518 15.292 1.00 4.24 H new ATOM 0 HE1 MET A 1 6.379 -4.424 13.207 1.00 52.15 H new ATOM 0 HE2 MET A 1 6.861 -6.130 13.370 1.00 52.15 H new ATOM 0 HE3 MET A 1 5.463 -5.693 12.359 1.00 52.15 H new ATOM 20 N LYS A 2 5.759 -11.860 13.860 1.00 71.13 N ATOM 21 CA LYS A 2 6.745 -12.878 13.536 1.00 55.42 C ATOM 22 C LYS A 2 7.170 -12.678 12.102 1.00 44.52 C ATOM 23 O LYS A 2 6.317 -12.680 11.212 1.00 34.22 O ATOM 24 CB LYS A 2 6.173 -14.284 13.742 1.00 71.13 C ATOM 25 CG LYS A 2 5.950 -14.633 15.205 1.00 34.33 C ATOM 26 CD LYS A 2 5.259 -15.977 15.388 1.00 71.23 C ATOM 27 CE LYS A 2 3.835 -15.959 14.852 1.00 63.34 C ATOM 28 NZ LYS A 2 3.068 -17.146 15.288 1.00 0.04 N ATOM 0 H LYS A 2 4.827 -12.051 13.493 1.00 71.13 H new ATOM 0 HA LYS A 2 7.605 -12.783 14.199 1.00 55.42 H new ATOM 0 HB2 LYS A 2 5.227 -14.366 13.208 1.00 71.13 H new ATOM 0 HB3 LYS A 2 6.852 -15.014 13.301 1.00 71.13 H new ATOM 0 HG2 LYS A 2 6.910 -14.649 15.721 1.00 34.33 H new ATOM 0 HG3 LYS A 2 5.349 -13.853 15.673 1.00 34.33 H new ATOM 0 HD2 LYS A 2 5.830 -16.752 14.876 1.00 71.23 H new ATOM 0 HD3 LYS A 2 5.246 -16.237 16.446 1.00 71.23 H new ATOM 0 HE2 LYS A 2 3.330 -15.055 15.193 1.00 63.34 H new ATOM 0 HE3 LYS A 2 3.857 -15.921 13.763 1.00 63.34 H new ATOM 0 HZ1 LYS A 2 2.159 -17.177 14.783 1.00 0.04 H new ATOM 0 HZ2 LYS A 2 3.611 -18.007 15.076 1.00 0.04 H new ATOM 0 HZ3 LYS A 2 2.894 -17.090 16.312 1.00 0.04 H new ATOM 42 N ASP A 3 8.478 -12.505 11.905 1.00 71.44 N ATOM 43 CA ASP A 3 9.055 -12.011 10.644 1.00 73.51 C ATOM 44 C ASP A 3 8.624 -12.799 9.401 1.00 70.43 C ATOM 45 O ASP A 3 8.958 -13.972 9.215 1.00 33.41 O ATOM 46 CB ASP A 3 10.588 -11.902 10.748 1.00 4.21 C ATOM 47 CG ASP A 3 11.288 -13.140 11.260 1.00 2.34 C ATOM 48 OD1 ASP A 3 11.407 -13.288 12.490 1.00 54.43 O ATOM 49 OD2 ASP A 3 11.768 -13.939 10.434 1.00 70.11 O ATOM 0 H ASP A 3 9.177 -12.704 12.620 1.00 71.44 H new ATOM 0 HA ASP A 3 8.642 -11.013 10.498 1.00 73.51 H new ATOM 0 HB2 ASP A 3 10.987 -11.660 9.763 1.00 4.21 H new ATOM 0 HB3 ASP A 3 10.833 -11.068 11.405 1.00 4.21 H new ATOM 54 N GLY A 4 7.836 -12.112 8.579 1.00 72.11 N ATOM 55 CA GLY A 4 7.302 -12.672 7.359 1.00 25.31 C ATOM 56 C GLY A 4 6.867 -11.586 6.394 1.00 43.43 C ATOM 57 O GLY A 4 7.603 -10.624 6.168 1.00 14.15 O ATOM 0 H GLY A 4 7.553 -11.147 8.749 1.00 72.11 H new ATOM 0 HA2 GLY A 4 8.056 -13.301 6.885 1.00 25.31 H new ATOM 0 HA3 GLY A 4 6.453 -13.314 7.593 1.00 25.31 H new ATOM 61 N THR A 5 5.677 -11.735 5.824 1.00 34.34 N ATOM 62 CA THR A 5 5.143 -10.773 4.861 1.00 1.31 C ATOM 63 C THR A 5 3.627 -10.670 5.020 1.00 34.44 C ATOM 64 O THR A 5 2.920 -11.660 4.888 1.00 75.04 O ATOM 65 CB THR A 5 5.515 -11.169 3.402 1.00 10.25 C ATOM 66 OG1 THR A 5 6.937 -11.218 3.260 1.00 1.53 O ATOM 67 CG2 THR A 5 4.966 -10.188 2.378 1.00 63.30 C ATOM 0 H THR A 5 5.056 -12.521 6.014 1.00 34.34 H new ATOM 0 HA THR A 5 5.590 -9.800 5.062 1.00 1.31 H new ATOM 0 HB THR A 5 5.069 -12.146 3.216 1.00 10.25 H new ATOM 0 HG1 THR A 5 7.235 -10.474 2.697 1.00 1.53 H new ATOM 0 HG21 THR A 5 5.253 -10.509 1.377 1.00 63.30 H new ATOM 0 HG22 THR A 5 3.879 -10.156 2.451 1.00 63.30 H new ATOM 0 HG23 THR A 5 5.372 -9.195 2.571 1.00 63.30 H new ATOM 75 N TYR A 6 3.152 -9.465 5.312 1.00 45.11 N ATOM 76 CA TYR A 6 1.733 -9.215 5.556 1.00 11.32 C ATOM 77 C TYR A 6 1.191 -8.260 4.514 1.00 45.43 C ATOM 78 O TYR A 6 1.660 -7.140 4.411 1.00 54.51 O ATOM 79 CB TYR A 6 1.519 -8.556 6.921 1.00 33.35 C ATOM 80 CG TYR A 6 2.302 -9.131 8.066 1.00 75.04 C ATOM 81 CD1 TYR A 6 2.041 -10.393 8.562 1.00 2.44 C ATOM 82 CD2 TYR A 6 3.290 -8.385 8.670 1.00 62.12 C ATOM 83 CE1 TYR A 6 2.748 -10.892 9.631 1.00 21.51 C ATOM 84 CE2 TYR A 6 4.001 -8.880 9.734 1.00 4.43 C ATOM 85 CZ TYR A 6 3.729 -10.128 10.213 1.00 23.34 C ATOM 86 OH TYR A 6 4.424 -10.603 11.290 1.00 34.23 O ATOM 0 H TYR A 6 3.738 -8.633 5.387 1.00 45.11 H new ATOM 0 HA TYR A 6 1.222 -10.177 5.517 1.00 11.32 H new ATOM 0 HB2 TYR A 6 1.767 -7.498 6.833 1.00 33.35 H new ATOM 0 HB3 TYR A 6 0.459 -8.615 7.167 1.00 33.35 H new ATOM 0 HD1 TYR A 6 1.271 -10.996 8.104 1.00 2.44 H new ATOM 0 HD2 TYR A 6 3.509 -7.394 8.300 1.00 62.12 H new ATOM 0 HE1 TYR A 6 2.533 -11.880 10.011 1.00 21.51 H new ATOM 0 HE2 TYR A 6 4.775 -8.282 10.192 1.00 4.43 H new ATOM 0 HH TYR A 6 5.031 -11.315 10.999 1.00 34.23 H new ATOM 96 N TYR A 7 0.197 -8.675 3.765 1.00 53.05 N ATOM 97 CA TYR A 7 -0.424 -7.782 2.805 1.00 60.01 C ATOM 98 C TYR A 7 -1.926 -7.725 3.046 1.00 43.45 C ATOM 99 O TYR A 7 -2.518 -8.667 3.589 1.00 21.14 O ATOM 100 CB TYR A 7 -0.028 -8.184 1.348 1.00 32.22 C ATOM 101 CG TYR A 7 -1.134 -8.650 0.398 1.00 5.44 C ATOM 102 CD1 TYR A 7 -1.784 -9.867 0.570 1.00 64.41 C ATOM 103 CD2 TYR A 7 -1.503 -7.874 -0.688 1.00 61.11 C ATOM 104 CE1 TYR A 7 -2.768 -10.289 -0.299 1.00 24.10 C ATOM 105 CE2 TYR A 7 -2.484 -8.293 -1.567 1.00 61.34 C ATOM 106 CZ TYR A 7 -3.113 -9.498 -1.367 1.00 23.34 C ATOM 107 OH TYR A 7 -4.088 -9.917 -2.243 1.00 40.44 O ATOM 0 H TYR A 7 -0.199 -9.615 3.798 1.00 53.05 H new ATOM 0 HA TYR A 7 -0.053 -6.766 2.942 1.00 60.01 H new ATOM 0 HB2 TYR A 7 0.465 -7.327 0.889 1.00 32.22 H new ATOM 0 HB3 TYR A 7 0.713 -8.981 1.413 1.00 32.22 H new ATOM 0 HD1 TYR A 7 -1.512 -10.497 1.404 1.00 64.41 H new ATOM 0 HD2 TYR A 7 -1.015 -6.924 -0.851 1.00 61.11 H new ATOM 0 HE1 TYR A 7 -3.264 -11.235 -0.141 1.00 24.10 H new ATOM 0 HE2 TYR A 7 -2.756 -7.674 -2.410 1.00 61.34 H new ATOM 0 HH TYR A 7 -4.972 -9.726 -1.865 1.00 40.44 H new ATOM 117 N ALA A 8 -2.518 -6.607 2.679 1.00 31.24 N ATOM 118 CA ALA A 8 -3.955 -6.456 2.695 1.00 11.33 C ATOM 119 C ALA A 8 -4.373 -5.679 1.480 1.00 12.34 C ATOM 120 O ALA A 8 -3.668 -4.765 1.064 1.00 0.44 O ATOM 121 CB ALA A 8 -4.421 -5.757 3.947 1.00 72.21 C ATOM 0 H ALA A 8 -2.015 -5.779 2.362 1.00 31.24 H new ATOM 0 HA ALA A 8 -4.414 -7.445 2.684 1.00 11.33 H new ATOM 0 HB1 ALA A 8 -5.506 -5.660 3.927 1.00 72.21 H new ATOM 0 HB2 ALA A 8 -4.125 -6.339 4.820 1.00 72.21 H new ATOM 0 HB3 ALA A 8 -3.969 -4.767 4.000 1.00 72.21 H new ATOM 127 N GLU A 9 -5.525 -6.019 0.943 1.00 4.40 N ATOM 128 CA GLU A 9 -5.992 -5.442 -0.300 1.00 22.21 C ATOM 129 C GLU A 9 -7.218 -4.588 -0.046 1.00 71.14 C ATOM 130 O GLU A 9 -7.940 -4.793 0.948 1.00 41.41 O ATOM 131 CB GLU A 9 -6.318 -6.562 -1.300 1.00 11.33 C ATOM 132 CG GLU A 9 -7.477 -7.458 -0.871 1.00 15.02 C ATOM 133 CD GLU A 9 -7.681 -8.646 -1.771 1.00 62.34 C ATOM 134 OE1 GLU A 9 -6.937 -9.635 -1.617 1.00 25.54 O ATOM 135 OE2 GLU A 9 -8.607 -8.617 -2.607 1.00 72.43 O ATOM 0 H GLU A 9 -6.163 -6.701 1.354 1.00 4.40 H new ATOM 0 HA GLU A 9 -5.210 -4.810 -0.720 1.00 22.21 H new ATOM 0 HB2 GLU A 9 -6.555 -6.115 -2.266 1.00 11.33 H new ATOM 0 HB3 GLU A 9 -5.430 -7.177 -1.443 1.00 11.33 H new ATOM 0 HG2 GLU A 9 -7.298 -7.809 0.145 1.00 15.02 H new ATOM 0 HG3 GLU A 9 -8.393 -6.868 -0.848 1.00 15.02 H new ATOM 142 N ALA A 10 -7.414 -3.599 -0.913 1.00 13.10 N ATOM 143 CA ALA A 10 -8.642 -2.823 -0.931 1.00 2.51 C ATOM 144 C ALA A 10 -9.830 -3.742 -1.200 1.00 21.44 C ATOM 145 O ALA A 10 -9.715 -4.704 -1.964 1.00 31.05 O ATOM 146 CB ALA A 10 -8.555 -1.729 -1.982 1.00 40.02 C ATOM 0 H ALA A 10 -6.730 -3.317 -1.616 1.00 13.10 H new ATOM 0 HA ALA A 10 -8.783 -2.350 0.041 1.00 2.51 H new ATOM 0 HB1 ALA A 10 -9.481 -1.154 -1.986 1.00 40.02 H new ATOM 0 HB2 ALA A 10 -7.719 -1.069 -1.752 1.00 40.02 H new ATOM 0 HB3 ALA A 10 -8.403 -2.178 -2.963 1.00 40.02 H new ATOM 152 N ASP A 11 -10.948 -3.469 -0.534 1.00 11.43 N ATOM 153 CA ASP A 11 -12.140 -4.327 -0.613 1.00 11.22 C ATOM 154 C ASP A 11 -12.739 -4.333 -2.011 1.00 33.04 C ATOM 155 O ASP A 11 -13.242 -5.354 -2.478 1.00 65.55 O ATOM 156 CB ASP A 11 -13.203 -3.881 0.392 1.00 43.41 C ATOM 157 CG ASP A 11 -12.777 -4.089 1.826 1.00 12.11 C ATOM 158 OD1 ASP A 11 -12.094 -3.212 2.378 1.00 22.41 O ATOM 159 OD2 ASP A 11 -13.130 -5.132 2.408 1.00 14.31 O ATOM 0 H ASP A 11 -11.060 -2.656 0.072 1.00 11.43 H new ATOM 0 HA ASP A 11 -11.816 -5.339 -0.371 1.00 11.22 H new ATOM 0 HB2 ASP A 11 -13.426 -2.826 0.234 1.00 43.41 H new ATOM 0 HB3 ASP A 11 -14.125 -4.433 0.208 1.00 43.41 H new ATOM 164 N ASP A 12 -12.654 -3.198 -2.676 1.00 33.34 N ATOM 165 CA ASP A 12 -13.124 -3.059 -4.041 1.00 75.21 C ATOM 166 C ASP A 12 -12.055 -2.400 -4.903 1.00 23.22 C ATOM 167 O ASP A 12 -11.067 -1.871 -4.386 1.00 1.35 O ATOM 168 CB ASP A 12 -14.434 -2.258 -4.092 1.00 53.21 C ATOM 169 CG ASP A 12 -14.375 -0.944 -3.334 1.00 52.21 C ATOM 170 OD1 ASP A 12 -13.988 0.077 -3.928 1.00 42.53 O ATOM 171 OD2 ASP A 12 -14.757 -0.930 -2.148 1.00 71.12 O ATOM 0 H ASP A 12 -12.256 -2.344 -2.285 1.00 33.34 H new ATOM 0 HA ASP A 12 -13.325 -4.054 -4.438 1.00 75.21 H new ATOM 0 HB2 ASP A 12 -14.686 -2.056 -5.133 1.00 53.21 H new ATOM 0 HB3 ASP A 12 -15.239 -2.868 -3.682 1.00 53.21 H new ATOM 176 N PHE A 13 -12.256 -2.456 -6.215 1.00 4.34 N ATOM 177 CA PHE A 13 -11.338 -1.849 -7.170 1.00 74.55 C ATOM 178 C PHE A 13 -11.608 -0.364 -7.275 1.00 21.30 C ATOM 179 O PHE A 13 -12.763 0.068 -7.244 1.00 1.23 O ATOM 180 CB PHE A 13 -11.467 -2.501 -8.553 1.00 73.13 C ATOM 181 CG PHE A 13 -11.076 -3.950 -8.579 1.00 70.42 C ATOM 182 CD1 PHE A 13 -9.745 -4.315 -8.561 1.00 31.12 C ATOM 183 CD2 PHE A 13 -12.039 -4.944 -8.615 1.00 51.14 C ATOM 184 CE1 PHE A 13 -9.375 -5.642 -8.577 1.00 1.24 C ATOM 185 CE2 PHE A 13 -11.675 -6.275 -8.633 1.00 22.31 C ATOM 186 CZ PHE A 13 -10.341 -6.625 -8.613 1.00 1.35 C ATOM 0 H PHE A 13 -13.056 -2.921 -6.644 1.00 4.34 H new ATOM 0 HA PHE A 13 -10.321 -2.008 -6.811 1.00 74.55 H new ATOM 0 HB2 PHE A 13 -12.498 -2.406 -8.894 1.00 73.13 H new ATOM 0 HB3 PHE A 13 -10.845 -1.954 -9.262 1.00 73.13 H new ATOM 0 HD1 PHE A 13 -8.983 -3.550 -8.534 1.00 31.12 H new ATOM 0 HD2 PHE A 13 -13.085 -4.675 -8.629 1.00 51.14 H new ATOM 0 HE1 PHE A 13 -8.329 -5.912 -8.561 1.00 1.24 H new ATOM 0 HE2 PHE A 13 -12.434 -7.042 -8.663 1.00 22.31 H new ATOM 0 HZ PHE A 13 -10.054 -7.666 -8.626 1.00 1.35 H new ATOM 196 N ASP A 14 -10.542 0.408 -7.402 1.00 53.11 N ATOM 197 CA ASP A 14 -10.641 1.863 -7.450 1.00 2.30 C ATOM 198 C ASP A 14 -10.885 2.382 -8.871 1.00 14.41 C ATOM 199 O ASP A 14 -11.367 1.645 -9.731 1.00 4.23 O ATOM 200 CB ASP A 14 -9.384 2.485 -6.849 1.00 11.24 C ATOM 201 CG ASP A 14 -9.357 2.329 -5.351 1.00 21.24 C ATOM 202 OD1 ASP A 14 -9.899 3.209 -4.660 1.00 73.41 O ATOM 203 OD2 ASP A 14 -8.802 1.332 -4.853 1.00 65.43 O ATOM 0 H ASP A 14 -9.589 0.051 -7.474 1.00 53.11 H new ATOM 0 HA ASP A 14 -11.507 2.160 -6.858 1.00 2.30 H new ATOM 0 HB2 ASP A 14 -8.501 2.015 -7.281 1.00 11.24 H new ATOM 0 HB3 ASP A 14 -9.340 3.543 -7.107 1.00 11.24 H new ATOM 208 N GLU A 15 -10.538 3.654 -9.109 1.00 70.40 N ATOM 209 CA GLU A 15 -10.901 4.365 -10.348 1.00 1.14 C ATOM 210 C GLU A 15 -10.181 3.826 -11.585 1.00 60.12 C ATOM 211 O GLU A 15 -10.764 3.787 -12.664 1.00 63.22 O ATOM 212 CB GLU A 15 -10.622 5.857 -10.190 1.00 63.22 C ATOM 213 CG GLU A 15 -11.360 6.472 -9.015 1.00 55.41 C ATOM 214 CD GLU A 15 -11.015 7.924 -8.809 1.00 14.31 C ATOM 215 OE1 GLU A 15 -9.874 8.211 -8.421 1.00 75.33 O ATOM 216 OE2 GLU A 15 -11.899 8.779 -8.993 1.00 1.15 O ATOM 0 H GLU A 15 -10.000 4.220 -8.453 1.00 70.40 H new ATOM 0 HA GLU A 15 -11.966 4.196 -10.508 1.00 1.14 H new ATOM 0 HB2 GLU A 15 -9.551 6.010 -10.061 1.00 63.22 H new ATOM 0 HB3 GLU A 15 -10.910 6.375 -11.105 1.00 63.22 H new ATOM 0 HG2 GLU A 15 -12.434 6.377 -9.175 1.00 55.41 H new ATOM 0 HG3 GLU A 15 -11.122 5.914 -8.109 1.00 55.41 H new ATOM 223 N SER A 16 -8.931 3.388 -11.428 1.00 73.14 N ATOM 224 CA SER A 16 -8.189 2.786 -12.537 1.00 45.25 C ATOM 225 C SER A 16 -8.322 1.255 -12.527 1.00 55.31 C ATOM 226 O SER A 16 -7.691 0.561 -13.333 1.00 42.41 O ATOM 227 CB SER A 16 -6.717 3.183 -12.470 1.00 60.34 C ATOM 228 OG SER A 16 -6.573 4.579 -12.272 1.00 72.20 O ATOM 0 H SER A 16 -8.414 3.438 -10.550 1.00 73.14 H new ATOM 0 HA SER A 16 -8.616 3.160 -13.467 1.00 45.25 H new ATOM 0 HB2 SER A 16 -6.229 2.645 -11.657 1.00 60.34 H new ATOM 0 HB3 SER A 16 -6.216 2.890 -13.393 1.00 60.34 H new ATOM 0 HG SER A 16 -5.621 4.807 -12.231 1.00 72.20 H new ATOM 234 N GLY A 17 -9.156 0.739 -11.611 1.00 35.30 N ATOM 235 CA GLY A 17 -9.436 -0.687 -11.535 1.00 74.12 C ATOM 236 C GLY A 17 -8.403 -1.441 -10.745 1.00 51.11 C ATOM 237 O GLY A 17 -8.212 -2.635 -10.951 1.00 51.23 O ATOM 0 H GLY A 17 -9.646 1.299 -10.913 1.00 35.30 H new ATOM 0 HA2 GLY A 17 -10.415 -0.837 -11.081 1.00 74.12 H new ATOM 0 HA3 GLY A 17 -9.487 -1.097 -12.544 1.00 74.12 H new ATOM 241 N TRP A 18 -7.728 -0.738 -9.847 1.00 73.44 N ATOM 242 CA TRP A 18 -6.703 -1.340 -9.021 1.00 62.34 C ATOM 243 C TRP A 18 -7.131 -1.346 -7.567 1.00 61.24 C ATOM 244 O TRP A 18 -7.527 -0.323 -7.026 1.00 33.01 O ATOM 245 CB TRP A 18 -5.363 -0.603 -9.155 1.00 65.31 C ATOM 246 CG TRP A 18 -4.728 -0.680 -10.516 1.00 71.54 C ATOM 247 CD1 TRP A 18 -4.938 0.165 -11.563 1.00 52.13 C ATOM 248 CD2 TRP A 18 -3.762 -1.636 -10.971 1.00 31.31 C ATOM 249 NE1 TRP A 18 -4.170 -0.205 -12.636 1.00 61.12 N ATOM 250 CE2 TRP A 18 -3.435 -1.302 -12.295 1.00 40.14 C ATOM 251 CE3 TRP A 18 -3.139 -2.737 -10.396 1.00 3.40 C ATOM 252 CZ2 TRP A 18 -2.517 -2.028 -13.040 1.00 32.40 C ATOM 253 CZ3 TRP A 18 -2.227 -3.457 -11.143 1.00 11.32 C ATOM 254 CH2 TRP A 18 -1.926 -3.099 -12.451 1.00 54.44 C ATOM 0 H TRP A 18 -7.877 0.256 -9.675 1.00 73.44 H new ATOM 0 HA TRP A 18 -6.568 -2.365 -9.367 1.00 62.34 H new ATOM 0 HB2 TRP A 18 -5.516 0.446 -8.901 1.00 65.31 H new ATOM 0 HB3 TRP A 18 -4.667 -1.011 -8.422 1.00 65.31 H new ATOM 0 HD1 TRP A 18 -5.614 1.007 -11.550 1.00 52.13 H new ATOM 0 HE1 TRP A 18 -4.151 0.264 -13.542 1.00 61.12 H new ATOM 0 HE3 TRP A 18 -3.365 -3.026 -9.380 1.00 3.40 H new ATOM 0 HZ2 TRP A 18 -2.280 -1.750 -14.056 1.00 32.40 H new ATOM 0 HZ3 TRP A 18 -1.739 -4.314 -10.702 1.00 11.32 H new ATOM 0 HH2 TRP A 18 -1.209 -3.683 -13.009 1.00 54.44 H new ATOM 265 N LYS A 19 -7.083 -2.520 -6.972 1.00 55.42 N ATOM 266 CA LYS A 19 -7.182 -2.689 -5.537 1.00 3.15 C ATOM 267 C LYS A 19 -5.839 -2.365 -4.920 1.00 13.14 C ATOM 268 O LYS A 19 -4.935 -3.189 -5.000 1.00 31.21 O ATOM 269 CB LYS A 19 -7.506 -4.145 -5.204 1.00 4.01 C ATOM 270 CG LYS A 19 -8.966 -4.506 -5.174 1.00 50.40 C ATOM 271 CD LYS A 19 -9.120 -5.992 -4.928 1.00 13.10 C ATOM 272 CE LYS A 19 -10.571 -6.406 -4.829 1.00 4.34 C ATOM 273 NZ LYS A 19 -10.686 -7.867 -4.629 1.00 43.43 N ATOM 0 H LYS A 19 -6.972 -3.398 -7.480 1.00 55.42 H new ATOM 0 HA LYS A 19 -7.965 -2.035 -5.153 1.00 3.15 H new ATOM 0 HB2 LYS A 19 -7.009 -4.783 -5.935 1.00 4.01 H new ATOM 0 HB3 LYS A 19 -7.074 -4.379 -4.231 1.00 4.01 H new ATOM 0 HG2 LYS A 19 -9.473 -3.943 -4.390 1.00 50.40 H new ATOM 0 HG3 LYS A 19 -9.437 -4.233 -6.118 1.00 50.40 H new ATOM 0 HD2 LYS A 19 -8.641 -6.544 -5.736 1.00 13.10 H new ATOM 0 HD3 LYS A 19 -8.603 -6.262 -4.007 1.00 13.10 H new ATOM 0 HE2 LYS A 19 -11.048 -5.882 -4.001 1.00 4.34 H new ATOM 0 HE3 LYS A 19 -11.100 -6.116 -5.737 1.00 4.34 H new ATOM 0 HZ1 LYS A 19 -11.639 -8.096 -4.280 1.00 43.43 H new ATOM 0 HZ2 LYS A 19 -10.521 -8.355 -5.532 1.00 43.43 H new ATOM 0 HZ3 LYS A 19 -9.979 -8.179 -3.933 1.00 43.43 H new ATOM 287 N ASP A 20 -5.686 -1.181 -4.339 1.00 3.42 N ATOM 288 CA ASP A 20 -4.407 -0.813 -3.734 1.00 60.20 C ATOM 289 C ASP A 20 -4.145 -1.622 -2.476 1.00 33.34 C ATOM 290 O ASP A 20 -4.987 -1.700 -1.575 1.00 2.02 O ATOM 291 CB ASP A 20 -4.338 0.669 -3.404 1.00 52.24 C ATOM 292 CG ASP A 20 -4.056 1.548 -4.608 1.00 71.42 C ATOM 293 OD1 ASP A 20 -3.129 1.221 -5.386 1.00 25.25 O ATOM 294 OD2 ASP A 20 -4.729 2.589 -4.744 1.00 32.42 O ATOM 0 H ASP A 20 -6.414 -0.470 -4.273 1.00 3.42 H new ATOM 0 HA ASP A 20 -3.638 -1.036 -4.474 1.00 60.20 H new ATOM 0 HB2 ASP A 20 -5.282 0.976 -2.954 1.00 52.24 H new ATOM 0 HB3 ASP A 20 -3.561 0.830 -2.657 1.00 52.24 H new ATOM 299 N THR A 21 -2.973 -2.229 -2.434 1.00 30.13 N ATOM 300 CA THR A 21 -2.597 -3.093 -1.335 1.00 40.22 C ATOM 301 C THR A 21 -1.329 -2.562 -0.686 1.00 51.15 C ATOM 302 O THR A 21 -0.556 -1.822 -1.311 1.00 32.41 O ATOM 303 CB THR A 21 -2.344 -4.573 -1.771 1.00 20.43 C ATOM 304 OG1 THR A 21 -1.019 -4.726 -2.271 1.00 34.32 O ATOM 305 CG2 THR A 21 -3.323 -5.042 -2.840 1.00 12.10 C ATOM 0 H THR A 21 -2.260 -2.137 -3.157 1.00 30.13 H new ATOM 0 HA THR A 21 -3.436 -3.092 -0.639 1.00 40.22 H new ATOM 0 HB THR A 21 -2.489 -5.185 -0.880 1.00 20.43 H new ATOM 0 HG1 THR A 21 -0.449 -5.112 -1.574 1.00 34.32 H new ATOM 0 HG21 THR A 21 -3.103 -6.076 -3.107 1.00 12.10 H new ATOM 0 HG22 THR A 21 -4.341 -4.975 -2.456 1.00 12.10 H new ATOM 0 HG23 THR A 21 -3.227 -4.411 -3.724 1.00 12.10 H new ATOM 313 N VAL A 22 -1.119 -2.930 0.561 1.00 3.43 N ATOM 314 CA VAL A 22 0.106 -2.575 1.258 1.00 50.13 C ATOM 315 C VAL A 22 0.788 -3.838 1.758 1.00 3.25 C ATOM 316 O VAL A 22 0.220 -4.595 2.545 1.00 13.04 O ATOM 317 CB VAL A 22 -0.155 -1.576 2.414 1.00 74.00 C ATOM 318 CG1 VAL A 22 1.121 -1.241 3.171 1.00 73.44 C ATOM 319 CG2 VAL A 22 -0.769 -0.303 1.863 1.00 1.34 C ATOM 0 H VAL A 22 -1.779 -3.475 1.115 1.00 3.43 H new ATOM 0 HA VAL A 22 0.769 -2.068 0.557 1.00 50.13 H new ATOM 0 HB VAL A 22 -0.844 -2.050 3.113 1.00 74.00 H new ATOM 0 HG11 VAL A 22 0.895 -0.538 3.973 1.00 73.44 H new ATOM 0 HG12 VAL A 22 1.542 -2.152 3.596 1.00 73.44 H new ATOM 0 HG13 VAL A 22 1.842 -0.792 2.488 1.00 73.44 H new ATOM 0 HG21 VAL A 22 -0.951 0.396 2.679 1.00 1.34 H new ATOM 0 HG22 VAL A 22 -0.086 0.149 1.144 1.00 1.34 H new ATOM 0 HG23 VAL A 22 -1.712 -0.538 1.370 1.00 1.34 H new ATOM 329 N THR A 23 1.992 -4.067 1.256 1.00 21.43 N ATOM 330 CA THR A 23 2.748 -5.256 1.585 1.00 32.32 C ATOM 331 C THR A 23 3.874 -4.927 2.567 1.00 70.54 C ATOM 332 O THR A 23 4.813 -4.229 2.238 1.00 4.31 O ATOM 333 CB THR A 23 3.327 -5.898 0.311 1.00 34.04 C ATOM 334 OG1 THR A 23 2.306 -5.997 -0.694 1.00 63.11 O ATOM 335 CG2 THR A 23 3.865 -7.280 0.613 1.00 0.33 C ATOM 0 H THR A 23 2.467 -3.434 0.612 1.00 21.43 H new ATOM 0 HA THR A 23 2.071 -5.967 2.059 1.00 32.32 H new ATOM 0 HB THR A 23 4.140 -5.270 -0.053 1.00 34.04 H new ATOM 0 HG1 THR A 23 2.681 -6.405 -1.502 1.00 63.11 H new ATOM 0 HG21 THR A 23 4.271 -7.720 -0.298 1.00 0.33 H new ATOM 0 HG22 THR A 23 4.653 -7.208 1.363 1.00 0.33 H new ATOM 0 HG23 THR A 23 3.060 -7.909 0.992 1.00 0.33 H new ATOM 343 N ILE A 24 3.755 -5.443 3.770 1.00 2.52 N ATOM 344 CA ILE A 24 4.695 -5.180 4.847 1.00 31.01 C ATOM 345 C ILE A 24 5.673 -6.345 4.988 1.00 44.52 C ATOM 346 O ILE A 24 5.271 -7.466 5.294 1.00 25.41 O ATOM 347 CB ILE A 24 3.929 -4.977 6.186 1.00 30.51 C ATOM 348 CG1 ILE A 24 2.882 -3.851 6.053 1.00 33.51 C ATOM 349 CG2 ILE A 24 4.885 -4.697 7.348 1.00 34.12 C ATOM 350 CD1 ILE A 24 3.458 -2.458 5.877 1.00 42.31 C ATOM 0 H ILE A 24 2.993 -6.067 4.036 1.00 2.52 H new ATOM 0 HA ILE A 24 5.251 -4.273 4.611 1.00 31.01 H new ATOM 0 HB ILE A 24 3.407 -5.908 6.409 1.00 30.51 H new ATOM 0 HG12 ILE A 24 2.239 -4.072 5.201 1.00 33.51 H new ATOM 0 HG13 ILE A 24 2.249 -3.857 6.941 1.00 33.51 H new ATOM 0 HG21 ILE A 24 4.312 -4.561 8.265 1.00 34.12 H new ATOM 0 HG22 ILE A 24 5.568 -5.538 7.468 1.00 34.12 H new ATOM 0 HG23 ILE A 24 5.456 -3.792 7.139 1.00 34.12 H new ATOM 0 HD11 ILE A 24 2.646 -1.736 5.793 1.00 42.31 H new ATOM 0 HD12 ILE A 24 4.077 -2.209 6.739 1.00 42.31 H new ATOM 0 HD13 ILE A 24 4.066 -2.427 4.973 1.00 42.31 H new ATOM 362 N GLU A 25 6.949 -6.078 4.759 1.00 63.35 N ATOM 363 CA GLU A 25 7.982 -7.069 4.991 1.00 33.22 C ATOM 364 C GLU A 25 8.586 -6.867 6.380 1.00 4.30 C ATOM 365 O GLU A 25 9.285 -5.884 6.652 1.00 44.40 O ATOM 366 CB GLU A 25 9.060 -7.018 3.896 1.00 75.34 C ATOM 367 CG GLU A 25 10.245 -7.950 4.143 1.00 0.53 C ATOM 368 CD GLU A 25 11.281 -7.930 3.035 1.00 0.04 C ATOM 369 OE1 GLU A 25 10.962 -8.362 1.914 1.00 32.11 O ATOM 370 OE2 GLU A 25 12.429 -7.509 3.301 1.00 32.22 O ATOM 0 H GLU A 25 7.292 -5.182 4.412 1.00 63.35 H new ATOM 0 HA GLU A 25 7.533 -8.061 4.948 1.00 33.22 H new ATOM 0 HB2 GLU A 25 8.604 -7.274 2.940 1.00 75.34 H new ATOM 0 HB3 GLU A 25 9.428 -5.995 3.810 1.00 75.34 H new ATOM 0 HG2 GLU A 25 10.725 -7.672 5.081 1.00 0.53 H new ATOM 0 HG3 GLU A 25 9.875 -8.968 4.264 1.00 0.53 H new ATOM 377 N VAL A 26 8.260 -7.796 7.260 1.00 61.32 N ATOM 378 CA VAL A 26 8.817 -7.838 8.599 1.00 2.51 C ATOM 379 C VAL A 26 9.951 -8.851 8.619 1.00 61.15 C ATOM 380 O VAL A 26 9.815 -9.949 8.098 1.00 52.14 O ATOM 381 CB VAL A 26 7.707 -8.153 9.657 1.00 54.15 C ATOM 382 CG1 VAL A 26 8.260 -8.510 11.031 1.00 74.51 C ATOM 383 CG2 VAL A 26 6.800 -6.946 9.783 1.00 31.11 C ATOM 0 H VAL A 26 7.598 -8.547 7.064 1.00 61.32 H new ATOM 0 HA VAL A 26 9.221 -6.863 8.871 1.00 2.51 H new ATOM 0 HB VAL A 26 7.164 -9.029 9.302 1.00 54.15 H new ATOM 0 HG11 VAL A 26 7.435 -8.716 11.713 1.00 74.51 H new ATOM 0 HG12 VAL A 26 8.893 -9.394 10.950 1.00 74.51 H new ATOM 0 HG13 VAL A 26 8.848 -7.676 11.414 1.00 74.51 H new ATOM 0 HG21 VAL A 26 6.021 -7.151 10.517 1.00 31.11 H new ATOM 0 HG22 VAL A 26 7.384 -6.084 10.105 1.00 31.11 H new ATOM 0 HG23 VAL A 26 6.341 -6.733 8.817 1.00 31.11 H new ATOM 393 N LYS A 27 11.074 -8.451 9.186 1.00 4.33 N ATOM 394 CA LYS A 27 12.270 -9.262 9.238 1.00 71.22 C ATOM 395 C LYS A 27 13.071 -8.835 10.454 1.00 14.15 C ATOM 396 O LYS A 27 13.143 -7.641 10.751 1.00 15.31 O ATOM 397 CB LYS A 27 13.054 -9.080 7.940 1.00 21.24 C ATOM 398 CG LYS A 27 14.252 -9.992 7.747 1.00 60.35 C ATOM 399 CD LYS A 27 14.647 -10.036 6.274 1.00 74.43 C ATOM 400 CE LYS A 27 15.118 -8.691 5.751 1.00 61.15 C ATOM 401 NZ LYS A 27 15.061 -8.624 4.269 1.00 3.31 N ATOM 0 H LYS A 27 11.180 -7.539 9.630 1.00 4.33 H new ATOM 0 HA LYS A 27 12.034 -10.322 9.331 1.00 71.22 H new ATOM 0 HB2 LYS A 27 12.371 -9.230 7.104 1.00 21.24 H new ATOM 0 HB3 LYS A 27 13.398 -8.047 7.890 1.00 21.24 H new ATOM 0 HG2 LYS A 27 15.090 -9.635 8.346 1.00 60.35 H new ATOM 0 HG3 LYS A 27 14.014 -10.996 8.098 1.00 60.35 H new ATOM 0 HD2 LYS A 27 15.439 -10.772 6.137 1.00 74.43 H new ATOM 0 HD3 LYS A 27 13.794 -10.372 5.684 1.00 74.43 H new ATOM 0 HE2 LYS A 27 14.499 -7.900 6.174 1.00 61.15 H new ATOM 0 HE3 LYS A 27 16.140 -8.509 6.084 1.00 61.15 H new ATOM 0 HZ1 LYS A 27 15.825 -8.011 3.920 1.00 3.31 H new ATOM 0 HZ2 LYS A 27 15.176 -9.579 3.874 1.00 3.31 H new ATOM 0 HZ3 LYS A 27 14.143 -8.235 3.974 1.00 3.31 H new ATOM 415 N ASN A 28 13.631 -9.827 11.164 1.00 22.33 N ATOM 416 CA ASN A 28 14.330 -9.642 12.457 1.00 34.12 C ATOM 417 C ASN A 28 13.346 -9.173 13.543 1.00 31.34 C ATOM 418 O ASN A 28 13.731 -8.473 14.486 1.00 0.22 O ATOM 419 CB ASN A 28 15.517 -8.652 12.358 1.00 64.01 C ATOM 420 CG ASN A 28 16.555 -9.025 11.316 1.00 23.15 C ATOM 421 OD1 ASN A 28 17.466 -9.796 11.583 1.00 71.03 O ATOM 422 ND2 ASN A 28 16.444 -8.444 10.132 1.00 0.44 N ATOM 0 H ASN A 28 13.613 -10.799 10.855 1.00 22.33 H new ATOM 0 HA ASN A 28 14.739 -10.614 12.731 1.00 34.12 H new ATOM 0 HB2 ASN A 28 15.129 -7.659 12.129 1.00 64.01 H new ATOM 0 HB3 ASN A 28 16.003 -8.587 13.331 1.00 64.01 H new ATOM 0 HD21 ASN A 28 17.133 -8.634 9.404 1.00 0.44 H new ATOM 0 HD22 ASN A 28 15.669 -7.806 9.947 1.00 0.44 H new ATOM 429 N GLY A 29 12.075 -9.586 13.405 1.00 42.43 N ATOM 430 CA GLY A 29 11.034 -9.219 14.358 1.00 33.40 C ATOM 431 C GLY A 29 10.293 -7.921 14.048 1.00 62.41 C ATOM 432 O GLY A 29 9.146 -7.754 14.471 1.00 4.42 O ATOM 0 H GLY A 29 11.751 -10.175 12.638 1.00 42.43 H new ATOM 0 HA2 GLY A 29 10.307 -10.030 14.407 1.00 33.40 H new ATOM 0 HA3 GLY A 29 11.484 -9.134 15.347 1.00 33.40 H new ATOM 436 N LYS A 30 10.922 -7.010 13.310 1.00 70.42 N ATOM 437 CA LYS A 30 10.361 -5.675 13.082 1.00 20.22 C ATOM 438 C LYS A 30 10.235 -5.385 11.590 1.00 34.45 C ATOM 439 O LYS A 30 10.685 -6.176 10.782 1.00 52.23 O ATOM 440 CB LYS A 30 11.240 -4.621 13.766 1.00 11.54 C ATOM 441 CG LYS A 30 12.686 -4.605 13.294 1.00 75.24 C ATOM 442 CD LYS A 30 13.454 -3.471 13.942 1.00 61.04 C ATOM 443 CE LYS A 30 14.854 -3.357 13.379 1.00 1.14 C ATOM 444 NZ LYS A 30 15.617 -2.258 14.013 1.00 33.23 N ATOM 0 H LYS A 30 11.822 -7.169 12.858 1.00 70.42 H new ATOM 0 HA LYS A 30 9.361 -5.637 13.513 1.00 20.22 H new ATOM 0 HB2 LYS A 30 10.804 -3.636 13.596 1.00 11.54 H new ATOM 0 HB3 LYS A 30 11.224 -4.795 14.842 1.00 11.54 H new ATOM 0 HG2 LYS A 30 13.162 -5.556 13.535 1.00 75.24 H new ATOM 0 HG3 LYS A 30 12.718 -4.498 12.210 1.00 75.24 H new ATOM 0 HD2 LYS A 30 12.921 -2.533 13.786 1.00 61.04 H new ATOM 0 HD3 LYS A 30 13.506 -3.634 15.019 1.00 61.04 H new ATOM 0 HE2 LYS A 30 15.383 -4.299 13.528 1.00 1.14 H new ATOM 0 HE3 LYS A 30 14.800 -3.188 12.304 1.00 1.14 H new ATOM 0 HZ1 LYS A 30 16.570 -2.214 13.600 1.00 33.23 H new ATOM 0 HZ2 LYS A 30 15.126 -1.356 13.850 1.00 33.23 H new ATOM 0 HZ3 LYS A 30 15.691 -2.432 15.036 1.00 33.23 H new ATOM 458 N ILE A 31 9.636 -4.253 11.217 1.00 10.21 N ATOM 459 CA ILE A 31 9.484 -3.908 9.802 1.00 14.52 C ATOM 460 C ILE A 31 10.832 -3.455 9.230 1.00 61.22 C ATOM 461 O ILE A 31 11.519 -2.617 9.807 1.00 21.12 O ATOM 462 CB ILE A 31 8.417 -2.795 9.576 1.00 30.14 C ATOM 463 CG1 ILE A 31 7.096 -3.160 10.275 1.00 25.30 C ATOM 464 CG2 ILE A 31 8.177 -2.570 8.080 1.00 71.10 C ATOM 465 CD1 ILE A 31 6.027 -2.083 10.202 1.00 10.24 C ATOM 0 H ILE A 31 9.252 -3.566 11.866 1.00 10.21 H new ATOM 0 HA ILE A 31 9.139 -4.803 9.284 1.00 14.52 H new ATOM 0 HB ILE A 31 8.797 -1.870 10.010 1.00 30.14 H new ATOM 0 HG12 ILE A 31 6.704 -4.074 9.829 1.00 25.30 H new ATOM 0 HG13 ILE A 31 7.302 -3.379 11.323 1.00 25.30 H new ATOM 0 HG21 ILE A 31 7.429 -1.789 7.945 1.00 71.10 H new ATOM 0 HG22 ILE A 31 9.109 -2.266 7.604 1.00 71.10 H new ATOM 0 HG23 ILE A 31 7.822 -3.495 7.625 1.00 71.10 H new ATOM 0 HD11 ILE A 31 5.131 -2.424 10.720 1.00 10.24 H new ATOM 0 HD12 ILE A 31 6.395 -1.173 10.675 1.00 10.24 H new ATOM 0 HD13 ILE A 31 5.787 -1.878 9.159 1.00 10.24 H new ATOM 477 N VAL A 32 11.230 -4.046 8.125 1.00 71.30 N ATOM 478 CA VAL A 32 12.449 -3.629 7.451 1.00 64.53 C ATOM 479 C VAL A 32 12.126 -3.027 6.092 1.00 45.00 C ATOM 480 O VAL A 32 12.853 -2.169 5.591 1.00 51.33 O ATOM 481 CB VAL A 32 13.456 -4.800 7.289 1.00 60.00 C ATOM 482 CG1 VAL A 32 13.963 -5.259 8.645 1.00 12.05 C ATOM 483 CG2 VAL A 32 12.831 -5.961 6.537 1.00 31.00 C ATOM 0 H VAL A 32 10.733 -4.813 7.673 1.00 71.30 H new ATOM 0 HA VAL A 32 12.921 -2.872 8.078 1.00 64.53 H new ATOM 0 HB VAL A 32 14.301 -4.436 6.705 1.00 60.00 H new ATOM 0 HG11 VAL A 32 14.667 -6.080 8.511 1.00 12.05 H new ATOM 0 HG12 VAL A 32 14.463 -4.430 9.146 1.00 12.05 H new ATOM 0 HG13 VAL A 32 13.123 -5.597 9.252 1.00 12.05 H new ATOM 0 HG21 VAL A 32 13.560 -6.766 6.439 1.00 31.00 H new ATOM 0 HG22 VAL A 32 11.961 -6.324 7.085 1.00 31.00 H new ATOM 0 HG23 VAL A 32 12.522 -5.629 5.546 1.00 31.00 H new ATOM 493 N SER A 33 11.012 -3.466 5.510 1.00 42.24 N ATOM 494 CA SER A 33 10.674 -3.138 4.142 1.00 43.03 C ATOM 495 C SER A 33 9.176 -3.025 3.986 1.00 12.05 C ATOM 496 O SER A 33 8.410 -3.520 4.813 1.00 74.30 O ATOM 497 CB SER A 33 11.193 -4.212 3.181 1.00 12.02 C ATOM 498 OG SER A 33 12.589 -4.400 3.299 1.00 5.53 O ATOM 0 H SER A 33 10.325 -4.057 5.979 1.00 42.24 H new ATOM 0 HA SER A 33 11.143 -2.184 3.902 1.00 43.03 H new ATOM 0 HB2 SER A 33 10.682 -5.154 3.381 1.00 12.02 H new ATOM 0 HB3 SER A 33 10.951 -3.929 2.157 1.00 12.02 H new ATOM 0 HG SER A 33 12.967 -4.608 2.419 1.00 5.53 H new ATOM 504 N VAL A 34 8.776 -2.343 2.941 1.00 42.24 N ATOM 505 CA VAL A 34 7.383 -2.235 2.564 1.00 54.24 C ATOM 506 C VAL A 34 7.291 -2.006 1.053 1.00 35.33 C ATOM 507 O VAL A 34 8.072 -1.245 0.469 1.00 33.22 O ATOM 508 CB VAL A 34 6.635 -1.148 3.399 1.00 55.33 C ATOM 509 CG1 VAL A 34 7.355 0.168 3.352 1.00 50.31 C ATOM 510 CG2 VAL A 34 5.190 -0.971 2.958 1.00 25.13 C ATOM 0 H VAL A 34 9.412 -1.842 2.321 1.00 42.24 H new ATOM 0 HA VAL A 34 6.870 -3.168 2.796 1.00 54.24 H new ATOM 0 HB VAL A 34 6.624 -1.505 4.429 1.00 55.33 H new ATOM 0 HG11 VAL A 34 6.809 0.903 3.943 1.00 50.31 H new ATOM 0 HG12 VAL A 34 8.359 0.048 3.760 1.00 50.31 H new ATOM 0 HG13 VAL A 34 7.421 0.510 2.319 1.00 50.31 H new ATOM 0 HG21 VAL A 34 4.714 -0.204 3.570 1.00 25.13 H new ATOM 0 HG22 VAL A 34 5.164 -0.668 1.911 1.00 25.13 H new ATOM 0 HG23 VAL A 34 4.655 -1.913 3.077 1.00 25.13 H new ATOM 520 N ASP A 35 6.359 -2.702 0.440 1.00 54.05 N ATOM 521 CA ASP A 35 6.192 -2.720 -0.995 1.00 21.32 C ATOM 522 C ASP A 35 4.844 -2.156 -1.378 1.00 54.45 C ATOM 523 O ASP A 35 3.843 -2.355 -0.675 1.00 31.13 O ATOM 524 CB ASP A 35 6.306 -4.145 -1.543 1.00 65.21 C ATOM 525 CG ASP A 35 7.678 -4.747 -1.354 1.00 15.44 C ATOM 526 OD1 ASP A 35 7.907 -5.386 -0.303 1.00 30.11 O ATOM 527 OD2 ASP A 35 8.516 -4.605 -2.266 1.00 22.21 O ATOM 0 H ASP A 35 5.683 -3.283 0.936 1.00 54.05 H new ATOM 0 HA ASP A 35 6.983 -2.106 -1.425 1.00 21.32 H new ATOM 0 HB2 ASP A 35 5.568 -4.777 -1.050 1.00 65.21 H new ATOM 0 HB3 ASP A 35 6.062 -4.139 -2.605 1.00 65.21 H new ATOM 532 N TRP A 36 4.832 -1.440 -2.484 1.00 23.32 N ATOM 533 CA TRP A 36 3.610 -0.921 -3.062 1.00 21.24 C ATOM 534 C TRP A 36 3.140 -1.831 -4.194 1.00 15.11 C ATOM 535 O TRP A 36 3.829 -2.029 -5.195 1.00 4.50 O ATOM 536 CB TRP A 36 3.770 0.543 -3.519 1.00 42.34 C ATOM 537 CG TRP A 36 5.177 0.995 -3.838 1.00 74.31 C ATOM 538 CD1 TRP A 36 6.119 1.439 -2.946 1.00 11.30 C ATOM 539 CD2 TRP A 36 5.785 1.093 -5.134 1.00 61.43 C ATOM 540 NE1 TRP A 36 7.272 1.774 -3.605 1.00 64.12 N ATOM 541 CE2 TRP A 36 7.093 1.575 -4.945 1.00 13.13 C ATOM 542 CE3 TRP A 36 5.354 0.805 -6.432 1.00 33.11 C ATOM 543 CZ2 TRP A 36 7.973 1.784 -6.008 1.00 61.43 C ATOM 544 CZ3 TRP A 36 6.227 1.014 -7.485 1.00 54.51 C ATOM 545 CH2 TRP A 36 7.522 1.496 -7.266 1.00 31.13 C ATOM 0 H TRP A 36 5.673 -1.201 -3.009 1.00 23.32 H new ATOM 0 HA TRP A 36 2.839 -0.915 -2.292 1.00 21.24 H new ATOM 0 HB2 TRP A 36 3.153 0.694 -4.405 1.00 42.34 H new ATOM 0 HB3 TRP A 36 3.371 1.191 -2.738 1.00 42.34 H new ATOM 0 HD1 TRP A 36 5.973 1.514 -1.879 1.00 11.30 H new ATOM 0 HE1 TRP A 36 8.127 2.117 -3.166 1.00 64.12 H new ATOM 0 HE3 TRP A 36 4.358 0.426 -6.610 1.00 33.11 H new ATOM 0 HZ2 TRP A 36 8.972 2.159 -5.843 1.00 61.43 H new ATOM 0 HZ3 TRP A 36 5.903 0.801 -8.493 1.00 54.51 H new ATOM 0 HH2 TRP A 36 8.180 1.644 -8.110 1.00 31.13 H new ATOM 556 N ASN A 37 1.955 -2.379 -3.999 1.00 41.33 N ATOM 557 CA ASN A 37 1.433 -3.471 -4.812 1.00 63.22 C ATOM 558 C ASN A 37 -0.085 -3.261 -4.971 1.00 21.21 C ATOM 559 O ASN A 37 -0.664 -2.540 -4.164 1.00 15.01 O ATOM 560 CB ASN A 37 1.817 -4.786 -4.089 1.00 72.24 C ATOM 561 CG ASN A 37 1.287 -6.059 -4.710 1.00 33.24 C ATOM 562 OD1 ASN A 37 1.858 -6.594 -5.658 1.00 72.43 O ATOM 563 ND2 ASN A 37 0.232 -6.586 -4.126 1.00 13.13 N ATOM 0 H ASN A 37 1.317 -2.077 -3.263 1.00 41.33 H new ATOM 0 HA ASN A 37 1.848 -3.511 -5.819 1.00 63.22 H new ATOM 0 HB2 ASN A 37 2.904 -4.851 -4.046 1.00 72.24 H new ATOM 0 HB3 ASN A 37 1.460 -4.730 -3.061 1.00 72.24 H new ATOM 0 HD21 ASN A 37 -0.144 -7.474 -4.458 1.00 13.13 H new ATOM 0 HD22 ASN A 37 -0.210 -6.106 -3.342 1.00 13.13 H new ATOM 570 N ALA A 38 -0.723 -3.832 -6.012 1.00 22.23 N ATOM 571 CA ALA A 38 -2.144 -3.563 -6.305 1.00 72.01 C ATOM 572 C ALA A 38 -2.709 -4.568 -7.306 1.00 43.05 C ATOM 573 O ALA A 38 -2.046 -4.901 -8.268 1.00 44.50 O ATOM 574 CB ALA A 38 -2.315 -2.161 -6.870 1.00 31.31 C ATOM 0 H ALA A 38 -0.278 -4.480 -6.662 1.00 22.23 H new ATOM 0 HA ALA A 38 -2.689 -3.655 -5.365 1.00 72.01 H new ATOM 0 HB1 ALA A 38 -3.369 -1.980 -7.080 1.00 31.31 H new ATOM 0 HB2 ALA A 38 -1.959 -1.430 -6.144 1.00 31.31 H new ATOM 0 HB3 ALA A 38 -1.740 -2.067 -7.791 1.00 31.31 H new ATOM 580 N ILE A 39 -3.954 -4.994 -7.125 1.00 22.44 N ATOM 581 CA ILE A 39 -4.543 -6.040 -7.975 1.00 32.41 C ATOM 582 C ILE A 39 -5.424 -5.403 -9.051 1.00 73.54 C ATOM 583 O ILE A 39 -6.259 -4.569 -8.737 1.00 31.11 O ATOM 584 CB ILE A 39 -5.426 -7.022 -7.152 1.00 31.31 C ATOM 585 CG1 ILE A 39 -4.749 -7.398 -5.824 1.00 54.31 C ATOM 586 CG2 ILE A 39 -5.727 -8.278 -7.975 1.00 32.33 C ATOM 587 CD1 ILE A 39 -5.610 -8.235 -4.902 1.00 64.44 C ATOM 0 H ILE A 39 -4.579 -4.637 -6.402 1.00 22.44 H new ATOM 0 HA ILE A 39 -3.717 -6.592 -8.423 1.00 32.41 H new ATOM 0 HB ILE A 39 -6.365 -6.520 -6.918 1.00 31.31 H new ATOM 0 HG12 ILE A 39 -3.830 -7.944 -6.039 1.00 54.31 H new ATOM 0 HG13 ILE A 39 -4.462 -6.484 -5.304 1.00 54.31 H new ATOM 0 HG21 ILE A 39 -6.345 -8.958 -7.389 1.00 32.33 H new ATOM 0 HG22 ILE A 39 -6.258 -7.998 -8.885 1.00 32.33 H new ATOM 0 HG23 ILE A 39 -4.792 -8.773 -8.238 1.00 32.33 H new ATOM 0 HD11 ILE A 39 -5.057 -8.456 -3.989 1.00 64.44 H new ATOM 0 HD12 ILE A 39 -6.518 -7.685 -4.653 1.00 64.44 H new ATOM 0 HD13 ILE A 39 -5.876 -9.168 -5.400 1.00 64.44 H new ATOM 599 N ASN A 40 -5.257 -5.786 -10.314 1.00 12.15 N ATOM 600 CA ASN A 40 -6.101 -5.226 -11.372 1.00 32.11 C ATOM 601 C ASN A 40 -7.276 -6.144 -11.684 1.00 4.42 C ATOM 602 O ASN A 40 -7.137 -7.369 -11.700 1.00 53.22 O ATOM 603 CB ASN A 40 -5.309 -4.920 -12.648 1.00 43.13 C ATOM 604 CG ASN A 40 -6.122 -4.118 -13.660 1.00 21.11 C ATOM 605 OD1 ASN A 40 -6.688 -4.669 -14.596 1.00 15.23 O ATOM 606 ND2 ASN A 40 -6.227 -2.815 -13.452 1.00 30.32 N ATOM 0 H ASN A 40 -4.563 -6.465 -10.628 1.00 12.15 H new ATOM 0 HA ASN A 40 -6.488 -4.280 -10.993 1.00 32.11 H new ATOM 0 HB2 ASN A 40 -4.408 -4.365 -12.388 1.00 43.13 H new ATOM 0 HB3 ASN A 40 -4.986 -5.855 -13.105 1.00 43.13 H new ATOM 0 HD21 ASN A 40 -6.791 -2.242 -14.080 1.00 30.32 H new ATOM 0 HD22 ASN A 40 -5.744 -2.384 -12.664 1.00 30.32 H new ATOM 613 N LYS A 41 -8.429 -5.510 -11.902 1.00 51.45 N ATOM 614 CA LYS A 41 -9.692 -6.175 -12.206 1.00 40.23 C ATOM 615 C LYS A 41 -9.637 -6.966 -13.518 1.00 22.21 C ATOM 616 O LYS A 41 -9.868 -8.175 -13.523 1.00 71.11 O ATOM 617 CB LYS A 41 -10.793 -5.110 -12.272 1.00 11.00 C ATOM 618 CG LYS A 41 -12.186 -5.655 -12.504 1.00 12.13 C ATOM 619 CD LYS A 41 -13.191 -4.535 -12.657 1.00 54.32 C ATOM 620 CE LYS A 41 -14.542 -5.070 -13.073 1.00 72.12 C ATOM 621 NZ LYS A 41 -15.513 -3.982 -13.330 1.00 21.43 N ATOM 0 H LYS A 41 -8.510 -4.494 -11.871 1.00 51.45 H new ATOM 0 HA LYS A 41 -9.901 -6.899 -11.418 1.00 40.23 H new ATOM 0 HB2 LYS A 41 -10.789 -4.545 -11.340 1.00 11.00 H new ATOM 0 HB3 LYS A 41 -10.554 -4.409 -13.071 1.00 11.00 H new ATOM 0 HG2 LYS A 41 -12.192 -6.278 -13.399 1.00 12.13 H new ATOM 0 HG3 LYS A 41 -12.473 -6.294 -11.669 1.00 12.13 H new ATOM 0 HD2 LYS A 41 -13.285 -3.995 -11.715 1.00 54.32 H new ATOM 0 HD3 LYS A 41 -12.835 -3.821 -13.400 1.00 54.32 H new ATOM 0 HE2 LYS A 41 -14.431 -5.677 -13.972 1.00 72.12 H new ATOM 0 HE3 LYS A 41 -14.929 -5.725 -12.292 1.00 72.12 H new ATOM 0 HZ1 LYS A 41 -16.426 -4.391 -13.613 1.00 21.43 H new ATOM 0 HZ2 LYS A 41 -15.639 -3.418 -12.465 1.00 21.43 H new ATOM 0 HZ3 LYS A 41 -15.156 -3.372 -14.093 1.00 21.43 H new ATOM 635 N ASP A 42 -9.279 -6.286 -14.608 1.00 1.32 N ATOM 636 CA ASP A 42 -9.340 -6.869 -15.951 1.00 50.01 C ATOM 637 C ASP A 42 -8.139 -7.781 -16.206 1.00 2.33 C ATOM 638 O ASP A 42 -8.204 -8.697 -17.035 1.00 2.40 O ATOM 639 CB ASP A 42 -9.411 -5.750 -16.999 1.00 63.43 C ATOM 640 CG ASP A 42 -9.873 -6.241 -18.362 1.00 30.21 C ATOM 641 OD1 ASP A 42 -11.014 -6.727 -18.462 1.00 54.13 O ATOM 642 OD2 ASP A 42 -9.102 -6.145 -19.332 1.00 0.40 O ATOM 0 H ASP A 42 -8.941 -5.324 -14.587 1.00 1.32 H new ATOM 0 HA ASP A 42 -10.239 -7.480 -16.028 1.00 50.01 H new ATOM 0 HB2 ASP A 42 -10.092 -4.974 -16.649 1.00 63.43 H new ATOM 0 HB3 ASP A 42 -8.428 -5.290 -17.099 1.00 63.43 H new ATOM 647 N GLY A 43 -7.042 -7.512 -15.490 1.00 74.20 N ATOM 648 CA GLY A 43 -5.863 -8.353 -15.550 1.00 14.33 C ATOM 649 C GLY A 43 -6.077 -9.680 -14.858 1.00 72.32 C ATOM 650 O GLY A 43 -5.776 -10.730 -15.422 1.00 52.24 O ATOM 0 H GLY A 43 -6.956 -6.713 -14.862 1.00 74.20 H new ATOM 0 HA2 GLY A 43 -5.595 -8.527 -16.592 1.00 14.33 H new ATOM 0 HA3 GLY A 43 -5.024 -7.834 -15.087 1.00 14.33 H new ATOM 654 N GLY A 44 -6.587 -9.625 -13.629 1.00 73.13 N ATOM 655 CA GLY A 44 -6.856 -10.830 -12.864 1.00 31.31 C ATOM 656 C GLY A 44 -5.757 -11.137 -11.871 1.00 10.12 C ATOM 657 O GLY A 44 -5.957 -11.908 -10.930 1.00 5.13 O ATOM 0 H GLY A 44 -6.820 -8.757 -13.146 1.00 73.13 H new ATOM 0 HA2 GLY A 44 -7.801 -10.717 -12.333 1.00 31.31 H new ATOM 0 HA3 GLY A 44 -6.972 -11.672 -13.546 1.00 31.31 H new ATOM 661 N ASP A 45 -4.605 -10.515 -12.078 1.00 51.41 N ATOM 662 CA ASP A 45 -3.427 -10.769 -11.272 1.00 31.43 C ATOM 663 C ASP A 45 -2.997 -9.514 -10.534 1.00 42.25 C ATOM 664 O ASP A 45 -3.553 -8.429 -10.749 1.00 11.41 O ATOM 665 CB ASP A 45 -2.287 -11.285 -12.155 1.00 44.25 C ATOM 666 CG ASP A 45 -2.514 -12.703 -12.632 1.00 33.51 C ATOM 667 OD1 ASP A 45 -2.224 -13.642 -11.865 1.00 2.43 O ATOM 668 OD2 ASP A 45 -2.975 -12.881 -13.774 1.00 42.43 O ATOM 0 H ASP A 45 -4.464 -9.820 -12.811 1.00 51.41 H new ATOM 0 HA ASP A 45 -3.673 -11.530 -10.532 1.00 31.43 H new ATOM 0 HB2 ASP A 45 -2.176 -10.629 -13.018 1.00 44.25 H new ATOM 0 HB3 ASP A 45 -1.352 -11.239 -11.597 1.00 44.25 H new ATOM 673 N ASP A 46 -1.980 -9.668 -9.692 1.00 0.24 N ATOM 674 CA ASP A 46 -1.505 -8.592 -8.826 1.00 13.24 C ATOM 675 C ASP A 46 -0.479 -7.720 -9.555 1.00 12.43 C ATOM 676 O ASP A 46 -0.133 -7.996 -10.703 1.00 54.45 O ATOM 677 CB ASP A 46 -0.855 -9.190 -7.579 1.00 22.01 C ATOM 678 CG ASP A 46 -1.275 -8.506 -6.304 1.00 61.12 C ATOM 679 OD1 ASP A 46 -1.479 -7.285 -6.329 1.00 70.33 O ATOM 680 OD2 ASP A 46 -1.352 -9.184 -5.261 1.00 52.33 O ATOM 0 H ASP A 46 -1.462 -10.541 -9.590 1.00 0.24 H new ATOM 0 HA ASP A 46 -2.358 -7.974 -8.546 1.00 13.24 H new ATOM 0 HB2 ASP A 46 -1.109 -10.248 -7.517 1.00 22.01 H new ATOM 0 HB3 ASP A 46 0.229 -9.128 -7.677 1.00 22.01 H new ATOM 685 N LYS A 47 0.008 -6.675 -8.865 1.00 64.13 N ATOM 686 CA LYS A 47 1.071 -5.796 -9.363 1.00 31.40 C ATOM 687 C LYS A 47 2.342 -6.593 -9.564 1.00 24.13 C ATOM 688 O LYS A 47 3.061 -6.354 -10.514 1.00 25.14 O ATOM 689 CB LYS A 47 1.363 -4.686 -8.356 1.00 4.03 C ATOM 690 CG LYS A 47 1.778 -3.351 -8.955 1.00 70.50 C ATOM 691 CD LYS A 47 0.557 -2.510 -9.269 1.00 62.50 C ATOM 692 CE LYS A 47 0.913 -1.094 -9.668 1.00 72.52 C ATOM 693 NZ LYS A 47 -0.308 -0.268 -9.886 1.00 0.24 N ATOM 0 H LYS A 47 -0.330 -6.417 -7.938 1.00 64.13 H new ATOM 0 HA LYS A 47 0.738 -5.362 -10.306 1.00 31.40 H new ATOM 0 HB2 LYS A 47 0.473 -4.530 -7.746 1.00 4.03 H new ATOM 0 HB3 LYS A 47 2.153 -5.025 -7.686 1.00 4.03 H new ATOM 0 HG2 LYS A 47 2.425 -2.818 -8.258 1.00 70.50 H new ATOM 0 HG3 LYS A 47 2.356 -3.517 -9.864 1.00 70.50 H new ATOM 0 HD2 LYS A 47 -0.006 -2.980 -10.075 1.00 62.50 H new ATOM 0 HD3 LYS A 47 -0.096 -2.485 -8.397 1.00 62.50 H new ATOM 0 HE2 LYS A 47 1.528 -0.639 -8.892 1.00 72.52 H new ATOM 0 HE3 LYS A 47 1.511 -1.110 -10.579 1.00 72.52 H new ATOM 0 HZ1 LYS A 47 -0.181 0.322 -10.733 1.00 0.24 H new ATOM 0 HZ2 LYS A 47 -1.130 -0.891 -10.018 1.00 0.24 H new ATOM 0 HZ3 LYS A 47 -0.466 0.343 -9.059 1.00 0.24 H new ATOM 707 N ASP A 48 2.578 -7.538 -8.645 1.00 22.22 N ATOM 708 CA ASP A 48 3.707 -8.465 -8.683 1.00 10.33 C ATOM 709 C ASP A 48 3.752 -9.248 -10.004 1.00 43.51 C ATOM 710 O ASP A 48 4.769 -9.241 -10.699 1.00 4.35 O ATOM 711 CB ASP A 48 3.573 -9.432 -7.495 1.00 45.52 C ATOM 712 CG ASP A 48 4.839 -10.197 -7.200 1.00 44.24 C ATOM 713 OD1 ASP A 48 5.127 -11.189 -7.889 1.00 55.34 O ATOM 714 OD2 ASP A 48 5.543 -9.815 -6.249 1.00 31.32 O ATOM 0 H ASP A 48 1.972 -7.679 -7.837 1.00 22.22 H new ATOM 0 HA ASP A 48 4.637 -7.900 -8.614 1.00 10.33 H new ATOM 0 HB2 ASP A 48 3.283 -8.868 -6.608 1.00 45.52 H new ATOM 0 HB3 ASP A 48 2.769 -10.139 -7.700 1.00 45.52 H new ATOM 719 N THR A 49 2.626 -9.883 -10.343 1.00 14.42 N ATOM 720 CA THR A 49 2.512 -10.698 -11.549 1.00 74.22 C ATOM 721 C THR A 49 2.535 -9.843 -12.819 1.00 11.45 C ATOM 722 O THR A 49 3.258 -10.162 -13.745 1.00 72.03 O ATOM 723 CB THR A 49 1.217 -11.527 -11.524 1.00 72.42 C ATOM 724 OG1 THR A 49 0.934 -11.936 -10.181 1.00 60.01 O ATOM 725 CG2 THR A 49 1.344 -12.763 -12.403 1.00 3.31 C ATOM 0 H THR A 49 1.771 -9.845 -9.788 1.00 14.42 H new ATOM 0 HA THR A 49 3.375 -11.364 -11.564 1.00 74.22 H new ATOM 0 HB THR A 49 0.407 -10.906 -11.907 1.00 72.42 H new ATOM 0 HG1 THR A 49 0.108 -12.463 -10.167 1.00 60.01 H new ATOM 0 HG21 THR A 49 0.415 -13.332 -12.368 1.00 3.31 H new ATOM 0 HG22 THR A 49 1.545 -12.460 -13.430 1.00 3.31 H new ATOM 0 HG23 THR A 49 2.163 -13.384 -12.041 1.00 3.31 H new ATOM 733 N LEU A 50 1.778 -8.741 -12.832 1.00 2.11 N ATOM 734 CA LEU A 50 1.643 -7.892 -14.028 1.00 42.23 C ATOM 735 C LEU A 50 2.932 -7.125 -14.356 1.00 31.42 C ATOM 736 O LEU A 50 3.188 -6.834 -15.519 1.00 2.21 O ATOM 737 CB LEU A 50 0.449 -6.931 -13.905 1.00 41.34 C ATOM 738 CG LEU A 50 -0.932 -7.596 -13.748 1.00 73.10 C ATOM 739 CD1 LEU A 50 -2.026 -6.547 -13.753 1.00 4.44 C ATOM 740 CD2 LEU A 50 -1.189 -8.624 -14.844 1.00 23.24 C ATOM 0 H LEU A 50 1.246 -8.412 -12.026 1.00 2.11 H new ATOM 0 HA LEU A 50 1.453 -8.567 -14.863 1.00 42.23 H new ATOM 0 HB2 LEU A 50 0.618 -6.280 -13.047 1.00 41.34 H new ATOM 0 HB3 LEU A 50 0.426 -6.294 -14.789 1.00 41.34 H new ATOM 0 HG LEU A 50 -0.939 -8.118 -12.791 1.00 73.10 H new ATOM 0 HD11 LEU A 50 -2.996 -7.032 -13.641 1.00 4.44 H new ATOM 0 HD12 LEU A 50 -1.869 -5.854 -12.926 1.00 4.44 H new ATOM 0 HD13 LEU A 50 -2.001 -5.999 -14.695 1.00 4.44 H new ATOM 0 HD21 LEU A 50 -2.172 -9.071 -14.700 1.00 23.24 H new ATOM 0 HD22 LEU A 50 -1.152 -8.135 -15.817 1.00 23.24 H new ATOM 0 HD23 LEU A 50 -0.426 -9.402 -14.800 1.00 23.24 H new ATOM 752 N SER A 51 3.714 -6.773 -13.329 1.00 53.21 N ATOM 753 CA SER A 51 5.032 -6.152 -13.510 1.00 70.03 C ATOM 754 C SER A 51 6.035 -7.147 -14.113 1.00 43.32 C ATOM 755 O SER A 51 6.820 -6.789 -14.992 1.00 5.04 O ATOM 756 CB SER A 51 5.546 -5.639 -12.157 1.00 14.14 C ATOM 757 OG SER A 51 6.812 -5.024 -12.257 1.00 54.41 O ATOM 0 H SER A 51 3.453 -6.910 -12.353 1.00 53.21 H new ATOM 0 HA SER A 51 4.930 -5.317 -14.203 1.00 70.03 H new ATOM 0 HB2 SER A 51 4.831 -4.926 -11.747 1.00 14.14 H new ATOM 0 HB3 SER A 51 5.604 -6.471 -11.455 1.00 14.14 H new ATOM 0 HG SER A 51 7.095 -4.713 -11.372 1.00 54.41 H new ATOM 763 N ARG A 52 5.975 -8.399 -13.642 1.00 5.31 N ATOM 764 CA ARG A 52 6.879 -9.465 -14.082 1.00 41.24 C ATOM 765 C ARG A 52 6.560 -9.907 -15.519 1.00 52.24 C ATOM 766 O ARG A 52 7.460 -10.174 -16.319 1.00 12.12 O ATOM 767 CB ARG A 52 6.738 -10.660 -13.130 1.00 53.35 C ATOM 768 CG ARG A 52 7.746 -11.775 -13.361 1.00 53.45 C ATOM 769 CD ARG A 52 7.348 -13.035 -12.612 1.00 10.24 C ATOM 770 NE ARG A 52 6.100 -13.615 -13.137 1.00 42.31 N ATOM 771 CZ ARG A 52 5.487 -14.691 -12.632 1.00 54.33 C ATOM 772 NH1 ARG A 52 5.980 -15.316 -11.569 1.00 42.31 N ATOM 773 NH2 ARG A 52 4.369 -15.129 -13.192 1.00 64.21 N ATOM 0 H ARG A 52 5.296 -8.700 -12.943 1.00 5.31 H new ATOM 0 HA ARG A 52 7.901 -9.087 -14.066 1.00 41.24 H new ATOM 0 HB2 ARG A 52 6.838 -10.305 -12.104 1.00 53.35 H new ATOM 0 HB3 ARG A 52 5.733 -11.070 -13.229 1.00 53.35 H new ATOM 0 HG2 ARG A 52 7.818 -11.989 -14.427 1.00 53.45 H new ATOM 0 HG3 ARG A 52 8.734 -11.450 -13.034 1.00 53.45 H new ATOM 0 HD2 ARG A 52 8.149 -13.770 -12.687 1.00 10.24 H new ATOM 0 HD3 ARG A 52 7.224 -12.805 -11.554 1.00 10.24 H new ATOM 0 HE ARG A 52 5.672 -13.163 -13.945 1.00 42.31 H new ATOM 0 HH11 ARG A 52 6.835 -14.976 -11.129 1.00 42.31 H new ATOM 0 HH12 ARG A 52 5.504 -16.136 -11.193 1.00 42.31 H new ATOM 0 HH21 ARG A 52 3.982 -14.646 -14.003 1.00 64.21 H new ATOM 0 HH22 ARG A 52 3.896 -15.949 -12.812 1.00 64.21 H new ATOM 787 N ASN A 53 5.271 -9.966 -15.825 1.00 55.40 N ATOM 788 CA ASN A 53 4.782 -10.475 -17.105 1.00 73.10 C ATOM 789 C ASN A 53 4.792 -9.393 -18.178 1.00 70.54 C ATOM 790 O ASN A 53 5.179 -9.646 -19.317 1.00 42.24 O ATOM 791 CB ASN A 53 3.360 -11.030 -16.937 1.00 35.53 C ATOM 792 CG ASN A 53 3.293 -12.331 -16.138 1.00 23.32 C ATOM 793 OD1 ASN A 53 4.158 -12.646 -15.320 1.00 72.23 O ATOM 794 ND2 ASN A 53 2.226 -13.075 -16.334 1.00 62.32 N ATOM 0 H ASN A 53 4.531 -9.662 -15.193 1.00 55.40 H new ATOM 0 HA ASN A 53 5.452 -11.273 -17.427 1.00 73.10 H new ATOM 0 HB2 ASN A 53 2.744 -10.279 -16.442 1.00 35.53 H new ATOM 0 HB3 ASN A 53 2.927 -11.198 -17.923 1.00 35.53 H new ATOM 0 HD21 ASN A 53 2.100 -13.936 -15.802 1.00 62.32 H new ATOM 0 HD22 ASN A 53 1.525 -12.791 -17.018 1.00 62.32 H new ATOM 801 N GLY A 54 4.400 -8.186 -17.789 1.00 2.24 N ATOM 802 CA GLY A 54 4.276 -7.086 -18.731 1.00 73.12 C ATOM 803 C GLY A 54 2.852 -6.894 -19.223 1.00 53.04 C ATOM 804 O GLY A 54 2.634 -6.248 -20.246 1.00 40.52 O ATOM 0 H GLY A 54 4.163 -7.946 -16.826 1.00 2.24 H new ATOM 0 HA2 GLY A 54 4.619 -6.167 -18.257 1.00 73.12 H new ATOM 0 HA3 GLY A 54 4.929 -7.268 -19.584 1.00 73.12 H new ATOM 808 N GLY A 55 1.881 -7.436 -18.483 1.00 74.31 N ATOM 809 CA GLY A 55 0.485 -7.332 -18.877 1.00 24.22 C ATOM 810 C GLY A 55 -0.271 -6.333 -18.039 1.00 44.51 C ATOM 811 O GLY A 55 -1.340 -6.642 -17.514 1.00 60.30 O ATOM 0 H GLY A 55 2.040 -7.947 -17.615 1.00 74.31 H new ATOM 0 HA2 GLY A 55 0.426 -7.042 -19.926 1.00 24.22 H new ATOM 0 HA3 GLY A 55 0.011 -8.310 -18.789 1.00 24.22 H new ATOM 815 N TYR A 56 0.308 -5.144 -17.912 1.00 32.34 N ATOM 816 CA TYR A 56 -0.231 -4.058 -17.095 1.00 41.42 C ATOM 817 C TYR A 56 -1.505 -3.459 -17.717 1.00 32.25 C ATOM 818 O TYR A 56 -1.446 -2.584 -18.579 1.00 51.50 O ATOM 819 CB TYR A 56 0.861 -2.996 -16.960 1.00 22.15 C ATOM 820 CG TYR A 56 0.734 -2.050 -15.792 1.00 13.20 C ATOM 821 CD1 TYR A 56 0.009 -0.871 -15.893 1.00 20.40 C ATOM 822 CD2 TYR A 56 1.395 -2.315 -14.603 1.00 62.22 C ATOM 823 CE1 TYR A 56 -0.051 0.016 -14.842 1.00 3.14 C ATOM 824 CE2 TYR A 56 1.332 -1.438 -13.543 1.00 72.13 C ATOM 825 CZ TYR A 56 0.613 -0.271 -13.668 1.00 13.50 C ATOM 826 OH TYR A 56 0.564 0.615 -12.623 1.00 44.53 O ATOM 0 H TYR A 56 1.181 -4.902 -18.381 1.00 32.34 H new ATOM 0 HA TYR A 56 -0.517 -4.440 -16.115 1.00 41.42 H new ATOM 0 HB2 TYR A 56 1.823 -3.503 -16.887 1.00 22.15 H new ATOM 0 HB3 TYR A 56 0.880 -2.407 -17.877 1.00 22.15 H new ATOM 0 HD1 TYR A 56 -0.516 -0.646 -16.810 1.00 20.40 H new ATOM 0 HD2 TYR A 56 1.969 -3.225 -14.506 1.00 62.22 H new ATOM 0 HE1 TYR A 56 -0.615 0.932 -14.936 1.00 3.14 H new ATOM 0 HE2 TYR A 56 1.844 -1.665 -12.619 1.00 72.13 H new ATOM 0 HH TYR A 56 -0.330 1.014 -12.574 1.00 44.53 H new ATOM 836 N LYS A 57 -2.649 -3.994 -17.316 1.00 2.44 N ATOM 837 CA LYS A 57 -3.944 -3.463 -17.722 1.00 1.04 C ATOM 838 C LYS A 57 -4.409 -2.372 -16.767 1.00 40.13 C ATOM 839 O LYS A 57 -4.156 -2.453 -15.577 1.00 73.41 O ATOM 840 CB LYS A 57 -4.984 -4.583 -17.743 1.00 1.45 C ATOM 841 CG LYS A 57 -4.803 -5.593 -18.862 1.00 75.12 C ATOM 842 CD LYS A 57 -5.919 -6.614 -18.829 1.00 53.51 C ATOM 843 CE LYS A 57 -5.974 -7.466 -20.079 1.00 52.01 C ATOM 844 NZ LYS A 57 -7.167 -8.348 -20.073 1.00 32.34 N ATOM 0 H LYS A 57 -2.707 -4.806 -16.702 1.00 2.44 H new ATOM 0 HA LYS A 57 -3.835 -3.037 -18.720 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -4.952 -5.108 -16.789 1.00 1.45 H new ATOM 0 HB3 LYS A 57 -5.976 -4.139 -17.829 1.00 1.45 H new ATOM 0 HG2 LYS A 57 -4.796 -5.082 -19.825 1.00 75.12 H new ATOM 0 HG3 LYS A 57 -3.840 -6.093 -18.759 1.00 75.12 H new ATOM 0 HD2 LYS A 57 -5.789 -7.260 -17.961 1.00 53.51 H new ATOM 0 HD3 LYS A 57 -6.872 -6.100 -18.704 1.00 53.51 H new ATOM 0 HE2 LYS A 57 -5.997 -6.824 -20.960 1.00 52.01 H new ATOM 0 HE3 LYS A 57 -5.071 -8.072 -20.150 1.00 52.01 H new ATOM 0 HZ1 LYS A 57 -7.293 -8.768 -21.016 1.00 32.34 H new ATOM 0 HZ2 LYS A 57 -7.036 -9.105 -19.372 1.00 32.34 H new ATOM 0 HZ3 LYS A 57 -8.010 -7.791 -19.826 1.00 32.34 H new ATOM 858 N MET A 58 -5.061 -1.345 -17.298 1.00 45.22 N ATOM 859 CA MET A 58 -5.726 -0.326 -16.479 1.00 52.42 C ATOM 860 C MET A 58 -7.139 -0.137 -17.015 1.00 21.31 C ATOM 861 O MET A 58 -7.317 -0.051 -18.223 1.00 32.04 O ATOM 862 CB MET A 58 -4.984 1.022 -16.535 1.00 14.31 C ATOM 863 CG MET A 58 -3.551 0.985 -16.013 1.00 3.44 C ATOM 864 SD MET A 58 -2.661 2.530 -16.283 1.00 12.41 S ATOM 865 CE MET A 58 -3.652 3.681 -15.333 1.00 2.45 C ATOM 0 H MET A 58 -5.146 -1.191 -18.303 1.00 45.22 H new ATOM 0 HA MET A 58 -5.734 -0.660 -15.441 1.00 52.42 H new ATOM 0 HB2 MET A 58 -4.971 1.371 -17.568 1.00 14.31 H new ATOM 0 HB3 MET A 58 -5.547 1.755 -15.958 1.00 14.31 H new ATOM 0 HG2 MET A 58 -3.565 0.762 -14.946 1.00 3.44 H new ATOM 0 HG3 MET A 58 -3.013 0.172 -16.502 1.00 3.44 H new ATOM 0 HE1 MET A 58 -2.998 4.369 -14.798 1.00 2.45 H new ATOM 0 HE2 MET A 58 -4.299 4.245 -16.005 1.00 2.45 H new ATOM 0 HE3 MET A 58 -4.263 3.131 -14.618 1.00 2.45 H new ATOM 875 N VAL A 59 -8.150 -0.065 -16.150 1.00 53.20 N ATOM 876 CA VAL A 59 -9.535 0.056 -16.641 1.00 23.21 C ATOM 877 C VAL A 59 -9.863 1.520 -16.992 1.00 72.34 C ATOM 878 O VAL A 59 -10.861 1.810 -17.655 1.00 55.42 O ATOM 879 CB VAL A 59 -10.605 -0.552 -15.667 1.00 64.03 C ATOM 880 CG1 VAL A 59 -10.107 -1.856 -15.051 1.00 64.00 C ATOM 881 CG2 VAL A 59 -11.062 0.421 -14.581 1.00 41.54 C ATOM 0 H VAL A 59 -8.050 -0.087 -15.135 1.00 53.20 H new ATOM 0 HA VAL A 59 -9.591 -0.545 -17.549 1.00 23.21 H new ATOM 0 HB VAL A 59 -11.483 -0.762 -16.278 1.00 64.03 H new ATOM 0 HG11 VAL A 59 -10.868 -2.256 -14.380 1.00 64.00 H new ATOM 0 HG12 VAL A 59 -9.905 -2.578 -15.842 1.00 64.00 H new ATOM 0 HG13 VAL A 59 -9.192 -1.667 -14.490 1.00 64.00 H new ATOM 0 HG21 VAL A 59 -11.801 -0.065 -13.944 1.00 41.54 H new ATOM 0 HG22 VAL A 59 -10.205 0.722 -13.978 1.00 41.54 H new ATOM 0 HG23 VAL A 59 -11.506 1.302 -15.045 1.00 41.54 H new ATOM 891 N GLU A 60 -8.996 2.426 -16.550 1.00 3.14 N ATOM 892 CA GLU A 60 -9.088 3.825 -16.897 1.00 11.25 C ATOM 893 C GLU A 60 -7.707 4.325 -17.305 1.00 31.22 C ATOM 894 O GLU A 60 -6.795 4.391 -16.479 1.00 51.44 O ATOM 895 CB GLU A 60 -9.633 4.637 -15.711 1.00 1.43 C ATOM 896 CG GLU A 60 -9.893 6.102 -16.018 1.00 21.33 C ATOM 897 CD GLU A 60 -10.912 6.312 -17.120 1.00 33.13 C ATOM 898 OE1 GLU A 60 -12.116 6.333 -16.815 1.00 12.24 O ATOM 899 OE2 GLU A 60 -10.513 6.463 -18.291 1.00 12.42 O ATOM 0 H GLU A 60 -8.210 2.202 -15.940 1.00 3.14 H new ATOM 0 HA GLU A 60 -9.778 3.951 -17.731 1.00 11.25 H new ATOM 0 HB2 GLU A 60 -10.562 4.180 -15.370 1.00 1.43 H new ATOM 0 HB3 GLU A 60 -8.924 4.572 -14.886 1.00 1.43 H new ATOM 0 HG2 GLU A 60 -10.240 6.600 -15.112 1.00 21.33 H new ATOM 0 HG3 GLU A 60 -8.955 6.578 -16.304 1.00 21.33 H new ATOM 906 N TYR A 61 -7.557 4.638 -18.585 1.00 62.42 N ATOM 907 CA TYR A 61 -6.295 5.151 -19.109 1.00 64.30 C ATOM 908 C TYR A 61 -6.292 6.678 -19.137 1.00 71.24 C ATOM 909 O TYR A 61 -5.231 7.303 -19.191 1.00 11.51 O ATOM 910 CB TYR A 61 -6.027 4.604 -20.516 1.00 22.35 C ATOM 911 CG TYR A 61 -5.837 3.106 -20.581 1.00 62.33 C ATOM 912 CD1 TYR A 61 -4.701 2.506 -20.057 1.00 25.42 C ATOM 913 CD2 TYR A 61 -6.790 2.295 -21.176 1.00 34.34 C ATOM 914 CE1 TYR A 61 -4.524 1.140 -20.122 1.00 35.33 C ATOM 915 CE2 TYR A 61 -6.622 0.929 -21.246 1.00 71.32 C ATOM 916 CZ TYR A 61 -5.487 0.355 -20.718 1.00 30.24 C ATOM 917 OH TYR A 61 -5.326 -1.008 -20.776 1.00 72.45 O ATOM 0 H TYR A 61 -8.295 4.546 -19.283 1.00 62.42 H new ATOM 0 HA TYR A 61 -5.501 4.814 -18.443 1.00 64.30 H new ATOM 0 HB2 TYR A 61 -6.859 4.880 -21.164 1.00 22.35 H new ATOM 0 HB3 TYR A 61 -5.136 5.088 -20.917 1.00 22.35 H new ATOM 0 HD1 TYR A 61 -3.943 3.118 -19.591 1.00 25.42 H new ATOM 0 HD2 TYR A 61 -7.681 2.742 -21.593 1.00 34.34 H new ATOM 0 HE1 TYR A 61 -3.635 0.688 -19.708 1.00 35.33 H new ATOM 0 HE2 TYR A 61 -7.376 0.312 -21.712 1.00 71.32 H new ATOM 0 HH TYR A 61 -6.097 -1.410 -21.228 1.00 72.45 H new ATOM 927 N GLY A 62 -7.484 7.266 -19.095 1.00 63.02 N ATOM 928 CA GLY A 62 -7.617 8.709 -19.094 1.00 12.54 C ATOM 929 C GLY A 62 -8.255 9.210 -17.819 1.00 25.23 C ATOM 930 O GLY A 62 -9.296 9.866 -17.857 1.00 1.00 O ATOM 0 H GLY A 62 -8.369 6.760 -19.061 1.00 63.02 H new ATOM 0 HA2 GLY A 62 -6.634 9.165 -19.213 1.00 12.54 H new ATOM 0 HA3 GLY A 62 -8.218 9.020 -19.948 1.00 12.54 H new ATOM 934 N GLY A 63 -7.635 8.895 -16.689 1.00 35.03 N ATOM 935 CA GLY A 63 -8.183 9.281 -15.405 1.00 43.21 C ATOM 936 C GLY A 63 -7.114 9.561 -14.378 1.00 21.33 C ATOM 937 O GLY A 63 -5.951 9.790 -14.724 1.00 65.23 O ATOM 0 H GLY A 63 -6.758 8.376 -16.640 1.00 35.03 H new ATOM 0 HA2 GLY A 63 -8.802 10.169 -15.531 1.00 43.21 H new ATOM 0 HA3 GLY A 63 -8.834 8.487 -15.039 1.00 43.21 H new ATOM 941 N ALA A 64 -7.509 9.518 -13.110 1.00 3.52 N ATOM 942 CA ALA A 64 -6.611 9.824 -12.006 1.00 42.33 C ATOM 943 C ALA A 64 -5.712 8.645 -11.677 1.00 21.42 C ATOM 944 O ALA A 64 -5.917 7.530 -12.163 1.00 4.01 O ATOM 945 CB ALA A 64 -7.407 10.222 -10.777 1.00 62.30 C ATOM 0 H ALA A 64 -8.456 9.271 -12.821 1.00 3.52 H new ATOM 0 HA ALA A 64 -5.979 10.657 -12.314 1.00 42.33 H new ATOM 0 HB1 ALA A 64 -6.724 10.448 -9.958 1.00 62.30 H new ATOM 0 HB2 ALA A 64 -8.008 11.103 -11.002 1.00 62.30 H new ATOM 0 HB3 ALA A 64 -8.062 9.401 -10.486 1.00 62.30 H new ATOM 951 N GLN A 65 -4.712 8.899 -10.845 1.00 35.45 N ATOM 952 CA GLN A 65 -3.802 7.860 -10.416 1.00 12.33 C ATOM 953 C GLN A 65 -4.314 7.223 -9.139 1.00 23.14 C ATOM 954 O GLN A 65 -4.029 7.676 -8.027 1.00 53.44 O ATOM 955 CB GLN A 65 -2.375 8.402 -10.244 1.00 71.43 C ATOM 956 CG GLN A 65 -1.762 8.958 -11.528 1.00 12.50 C ATOM 957 CD GLN A 65 -1.680 7.930 -12.646 1.00 34.44 C ATOM 958 OE1 GLN A 65 -0.705 7.186 -12.745 1.00 11.23 O ATOM 959 NE2 GLN A 65 -2.692 7.904 -13.506 1.00 21.31 N ATOM 0 H GLN A 65 -4.514 9.821 -10.455 1.00 35.45 H new ATOM 0 HA GLN A 65 -3.757 7.094 -11.190 1.00 12.33 H new ATOM 0 HB2 GLN A 65 -2.384 9.188 -9.488 1.00 71.43 H new ATOM 0 HB3 GLN A 65 -1.737 7.603 -9.865 1.00 71.43 H new ATOM 0 HG2 GLN A 65 -2.354 9.808 -11.867 1.00 12.50 H new ATOM 0 HG3 GLN A 65 -0.761 9.332 -11.313 1.00 12.50 H new ATOM 0 HE21 GLN A 65 -3.481 8.540 -13.385 1.00 21.31 H new ATOM 0 HE22 GLN A 65 -2.681 7.248 -14.287 1.00 21.31 H new ATOM 968 N ALA A 66 -5.118 6.185 -9.330 1.00 20.24 N ATOM 969 CA ALA A 66 -5.669 5.391 -8.237 1.00 21.21 C ATOM 970 C ALA A 66 -4.778 4.174 -7.975 1.00 70.23 C ATOM 971 O ALA A 66 -5.257 3.057 -7.762 1.00 62.23 O ATOM 972 CB ALA A 66 -7.090 4.969 -8.593 1.00 63.23 C ATOM 0 H ALA A 66 -5.409 5.867 -10.255 1.00 20.24 H new ATOM 0 HA ALA A 66 -5.700 5.985 -7.324 1.00 21.21 H new ATOM 0 HB1 ALA A 66 -7.508 4.375 -7.780 1.00 63.23 H new ATOM 0 HB2 ALA A 66 -7.705 5.856 -8.748 1.00 63.23 H new ATOM 0 HB3 ALA A 66 -7.075 4.374 -9.506 1.00 63.23 H new ATOM 978 N GLU A 67 -3.469 4.420 -8.009 1.00 33.30 N ATOM 979 CA GLU A 67 -2.463 3.375 -7.940 1.00 3.52 C ATOM 980 C GLU A 67 -1.305 3.834 -7.079 1.00 55.41 C ATOM 981 O GLU A 67 -0.960 5.023 -7.064 1.00 32.11 O ATOM 982 CB GLU A 67 -1.870 3.078 -9.324 1.00 42.10 C ATOM 983 CG GLU A 67 -2.878 2.844 -10.429 1.00 23.21 C ATOM 984 CD GLU A 67 -2.228 2.872 -11.784 1.00 32.11 C ATOM 985 OE1 GLU A 67 -1.986 3.976 -12.297 1.00 33.15 O ATOM 986 OE2 GLU A 67 -1.920 1.797 -12.320 1.00 33.13 O ATOM 0 H GLU A 67 -3.079 5.360 -8.086 1.00 33.30 H new ATOM 0 HA GLU A 67 -2.952 2.490 -7.534 1.00 3.52 H new ATOM 0 HB2 GLU A 67 -1.229 3.911 -9.612 1.00 42.10 H new ATOM 0 HB3 GLU A 67 -1.232 2.197 -9.245 1.00 42.10 H new ATOM 0 HG2 GLU A 67 -3.367 1.881 -10.279 1.00 23.21 H new ATOM 0 HG3 GLU A 67 -3.655 3.607 -10.381 1.00 23.21 H new ATOM 993 N TRP A 68 -0.698 2.894 -6.382 1.00 70.41 N ATOM 994 CA TRP A 68 0.628 3.094 -5.836 1.00 41.34 C ATOM 995 C TRP A 68 1.677 2.899 -6.932 1.00 3.12 C ATOM 996 O TRP A 68 2.033 1.776 -7.295 1.00 50.22 O ATOM 997 CB TRP A 68 0.871 2.169 -4.637 1.00 62.53 C ATOM 998 CG TRP A 68 -0.002 2.487 -3.456 1.00 54.01 C ATOM 999 CD1 TRP A 68 -0.789 1.617 -2.758 1.00 1.25 C ATOM 1000 CD2 TRP A 68 -0.188 3.772 -2.847 1.00 23.35 C ATOM 1001 NE1 TRP A 68 -1.460 2.285 -1.759 1.00 42.42 N ATOM 1002 CE2 TRP A 68 -1.103 3.609 -1.797 1.00 31.20 C ATOM 1003 CE3 TRP A 68 0.332 5.047 -3.092 1.00 14.21 C ATOM 1004 CZ2 TRP A 68 -1.508 4.675 -1.001 1.00 32.41 C ATOM 1005 CZ3 TRP A 68 -0.067 6.093 -2.299 1.00 1.34 C ATOM 1006 CH2 TRP A 68 -0.980 5.904 -1.265 1.00 45.33 C ATOM 0 H TRP A 68 -1.105 1.981 -6.180 1.00 70.41 H new ATOM 0 HA TRP A 68 0.712 4.117 -5.469 1.00 41.34 H new ATOM 0 HB2 TRP A 68 0.697 1.137 -4.942 1.00 62.53 H new ATOM 0 HB3 TRP A 68 1.917 2.241 -4.337 1.00 62.53 H new ATOM 0 HD1 TRP A 68 -0.873 0.559 -2.960 1.00 1.25 H new ATOM 0 HE1 TRP A 68 -2.115 1.865 -1.099 1.00 42.42 H new ATOM 0 HE3 TRP A 68 1.038 5.206 -3.894 1.00 14.21 H new ATOM 0 HZ2 TRP A 68 -2.218 4.534 -0.199 1.00 32.41 H new ATOM 0 HZ3 TRP A 68 0.334 7.079 -2.480 1.00 1.34 H new ATOM 0 HH2 TRP A 68 -1.276 6.748 -0.660 1.00 45.33 H new ATOM 1017 N HIS A 69 2.103 4.028 -7.503 1.00 61.11 N ATOM 1018 CA HIS A 69 3.138 4.059 -8.538 1.00 54.31 C ATOM 1019 C HIS A 69 4.493 4.395 -7.897 1.00 72.32 C ATOM 1020 O HIS A 69 4.718 4.071 -6.736 1.00 64.34 O ATOM 1021 CB HIS A 69 2.752 5.082 -9.628 1.00 31.11 C ATOM 1022 CG HIS A 69 2.463 4.466 -10.969 1.00 40.12 C ATOM 1023 ND1 HIS A 69 1.200 4.390 -11.516 1.00 65.23 N ATOM 1024 CD2 HIS A 69 3.293 3.911 -11.881 1.00 74.41 C ATOM 1025 CE1 HIS A 69 1.273 3.811 -12.701 1.00 52.53 C ATOM 1026 NE2 HIS A 69 2.530 3.510 -12.947 1.00 32.32 N ATOM 0 H HIS A 69 1.739 4.949 -7.260 1.00 61.11 H new ATOM 0 HA HIS A 69 3.223 3.082 -9.013 1.00 54.31 H new ATOM 0 HB2 HIS A 69 1.874 5.636 -9.297 1.00 31.11 H new ATOM 0 HB3 HIS A 69 3.562 5.804 -9.738 1.00 31.11 H new ATOM 0 HD2 HIS A 69 4.363 3.803 -11.787 1.00 74.41 H new ATOM 0 HE1 HIS A 69 0.439 3.617 -13.359 1.00 52.53 H new ATOM 0 HE2 HIS A 69 2.879 3.054 -13.790 1.00 32.32 H new ATOM 1035 N GLU A 70 5.385 5.059 -8.630 1.00 34.45 N ATOM 1036 CA GLU A 70 6.746 5.321 -8.138 1.00 34.03 C ATOM 1037 C GLU A 70 6.812 6.559 -7.223 1.00 60.44 C ATOM 1038 O GLU A 70 7.880 6.902 -6.711 1.00 62.44 O ATOM 1039 CB GLU A 70 7.744 5.465 -9.299 1.00 61.12 C ATOM 1040 CG GLU A 70 8.001 4.186 -10.101 1.00 64.02 C ATOM 1041 CD GLU A 70 6.882 3.818 -11.054 1.00 1.42 C ATOM 1042 OE1 GLU A 70 6.743 4.485 -12.092 1.00 20.02 O ATOM 1043 OE2 GLU A 70 6.145 2.857 -10.770 1.00 43.22 O ATOM 0 H GLU A 70 5.196 5.426 -9.563 1.00 34.45 H new ATOM 0 HA GLU A 70 7.028 4.454 -7.540 1.00 34.03 H new ATOM 0 HB2 GLU A 70 7.377 6.234 -9.979 1.00 61.12 H new ATOM 0 HB3 GLU A 70 8.693 5.821 -8.899 1.00 61.12 H new ATOM 0 HG2 GLU A 70 8.923 4.306 -10.669 1.00 64.02 H new ATOM 0 HG3 GLU A 70 8.159 3.360 -9.407 1.00 64.02 H new ATOM 1050 N GLN A 71 5.664 7.220 -7.008 1.00 41.14 N ATOM 1051 CA GLN A 71 5.556 8.295 -6.016 1.00 22.21 C ATOM 1052 C GLN A 71 5.272 7.690 -4.629 1.00 32.04 C ATOM 1053 O GLN A 71 5.454 8.336 -3.588 1.00 33.34 O ATOM 1054 CB GLN A 71 4.448 9.280 -6.408 1.00 60.11 C ATOM 1055 CG GLN A 71 4.485 10.580 -5.615 1.00 5.35 C ATOM 1056 CD GLN A 71 3.390 11.555 -5.987 1.00 65.11 C ATOM 1057 OE1 GLN A 71 3.695 12.835 -5.881 1.00 64.31 O flip ATOM 1058 NE2 GLN A 71 2.290 11.169 -6.378 1.00 33.44 N flip ATOM 0 H GLN A 71 4.797 7.027 -7.510 1.00 41.14 H new ATOM 0 HA GLN A 71 6.498 8.842 -5.981 1.00 22.21 H new ATOM 0 HB2 GLN A 71 4.535 9.509 -7.470 1.00 60.11 H new ATOM 0 HB3 GLN A 71 3.479 8.802 -6.263 1.00 60.11 H new ATOM 0 HG2 GLN A 71 4.407 10.349 -4.553 1.00 5.35 H new ATOM 0 HG3 GLN A 71 5.452 11.059 -5.767 1.00 5.35 H new ATOM 0 HE21 GLN A 71 2.094 10.170 -6.446 1.00 33.44 H new ATOM 0 HE22 GLN A 71 1.573 11.848 -6.635 1.00 33.44 H new ATOM 1067 N ALA A 72 4.861 6.415 -4.632 1.00 22.32 N ATOM 1068 CA ALA A 72 4.645 5.640 -3.411 1.00 43.14 C ATOM 1069 C ALA A 72 5.970 5.291 -2.737 1.00 51.31 C ATOM 1070 O ALA A 72 5.979 4.913 -1.574 1.00 72.14 O ATOM 1071 CB ALA A 72 3.842 4.388 -3.679 1.00 24.23 C ATOM 0 H ALA A 72 4.669 5.893 -5.487 1.00 22.32 H new ATOM 0 HA ALA A 72 4.069 6.267 -2.731 1.00 43.14 H new ATOM 0 HB1 ALA A 72 3.702 3.839 -2.748 1.00 24.23 H new ATOM 0 HB2 ALA A 72 2.869 4.660 -4.089 1.00 24.23 H new ATOM 0 HB3 ALA A 72 4.374 3.760 -4.394 1.00 24.23 H new ATOM 1077 N GLU A 73 7.067 5.352 -3.515 1.00 71.31 N ATOM 1078 CA GLU A 73 8.453 5.243 -2.999 1.00 14.11 C ATOM 1079 C GLU A 73 8.755 6.288 -1.883 1.00 2.52 C ATOM 1080 O GLU A 73 9.578 6.045 -0.993 1.00 32.20 O ATOM 1081 CB GLU A 73 9.456 5.392 -4.151 1.00 14.02 C ATOM 1082 CG GLU A 73 10.878 4.998 -3.774 1.00 14.51 C ATOM 1083 CD GLU A 73 11.877 5.264 -4.871 1.00 43.22 C ATOM 1084 OE1 GLU A 73 12.425 6.379 -4.925 1.00 63.00 O ATOM 1085 OE2 GLU A 73 12.126 4.357 -5.683 1.00 61.32 O ATOM 0 H GLU A 73 7.021 5.479 -4.526 1.00 71.31 H new ATOM 0 HA GLU A 73 8.556 4.255 -2.550 1.00 14.11 H new ATOM 0 HB2 GLU A 73 9.128 4.778 -4.990 1.00 14.02 H new ATOM 0 HB3 GLU A 73 9.453 6.427 -4.493 1.00 14.02 H new ATOM 0 HG2 GLU A 73 11.175 5.546 -2.880 1.00 14.51 H new ATOM 0 HG3 GLU A 73 10.900 3.938 -3.520 1.00 14.51 H new ATOM 1092 N LYS A 74 8.098 7.450 -1.940 1.00 24.02 N ATOM 1093 CA LYS A 74 8.188 8.454 -0.868 1.00 75.15 C ATOM 1094 C LYS A 74 7.461 7.980 0.393 1.00 2.43 C ATOM 1095 O LYS A 74 7.933 8.183 1.513 1.00 11.33 O ATOM 1096 CB LYS A 74 7.572 9.785 -1.318 1.00 74.23 C ATOM 1097 CG LYS A 74 8.288 10.450 -2.481 1.00 55.53 C ATOM 1098 CD LYS A 74 9.733 10.778 -2.138 1.00 32.53 C ATOM 1099 CE LYS A 74 10.414 11.529 -3.262 1.00 72.22 C ATOM 1100 NZ LYS A 74 11.867 11.686 -3.012 1.00 1.51 N ATOM 0 H LYS A 74 7.496 7.722 -2.717 1.00 24.02 H new ATOM 0 HA LYS A 74 9.246 8.594 -0.645 1.00 75.15 H new ATOM 0 HB2 LYS A 74 6.533 9.613 -1.598 1.00 74.23 H new ATOM 0 HB3 LYS A 74 7.565 10.472 -0.472 1.00 74.23 H new ATOM 0 HG2 LYS A 74 8.260 9.792 -3.350 1.00 55.53 H new ATOM 0 HG3 LYS A 74 7.763 11.364 -2.757 1.00 55.53 H new ATOM 0 HD2 LYS A 74 9.765 11.377 -1.228 1.00 32.53 H new ATOM 0 HD3 LYS A 74 10.277 9.856 -1.933 1.00 32.53 H new ATOM 0 HE2 LYS A 74 10.261 10.997 -4.201 1.00 72.22 H new ATOM 0 HE3 LYS A 74 9.955 12.511 -3.374 1.00 72.22 H new ATOM 0 HZ1 LYS A 74 12.301 12.205 -3.802 1.00 1.51 H new ATOM 0 HZ2 LYS A 74 12.012 12.215 -2.129 1.00 1.51 H new ATOM 0 HZ3 LYS A 74 12.308 10.748 -2.930 1.00 1.51 H new ATOM 1114 N VAL A 75 6.320 7.331 0.174 1.00 4.51 N ATOM 1115 CA VAL A 75 5.406 6.900 1.234 1.00 42.02 C ATOM 1116 C VAL A 75 5.970 5.699 2.022 1.00 50.35 C ATOM 1117 O VAL A 75 5.836 5.628 3.249 1.00 52.44 O ATOM 1118 CB VAL A 75 4.025 6.517 0.628 1.00 72.00 C ATOM 1119 CG1 VAL A 75 2.989 6.335 1.706 1.00 11.34 C ATOM 1120 CG2 VAL A 75 3.540 7.546 -0.379 1.00 52.02 C ATOM 0 H VAL A 75 5.997 7.084 -0.762 1.00 4.51 H new ATOM 0 HA VAL A 75 5.289 7.736 1.924 1.00 42.02 H new ATOM 0 HB VAL A 75 4.166 5.570 0.106 1.00 72.00 H new ATOM 0 HG11 VAL A 75 2.035 6.068 1.252 1.00 11.34 H new ATOM 0 HG12 VAL A 75 3.304 5.541 2.383 1.00 11.34 H new ATOM 0 HG13 VAL A 75 2.878 7.265 2.264 1.00 11.34 H new ATOM 0 HG21 VAL A 75 2.573 7.238 -0.777 1.00 52.02 H new ATOM 0 HG22 VAL A 75 3.440 8.515 0.110 1.00 52.02 H new ATOM 0 HG23 VAL A 75 4.259 7.624 -1.194 1.00 52.02 H new ATOM 1130 N GLU A 76 6.610 4.775 1.300 1.00 41.14 N ATOM 1131 CA GLU A 76 7.140 3.540 1.880 1.00 23.33 C ATOM 1132 C GLU A 76 8.317 3.797 2.832 1.00 44.33 C ATOM 1133 O GLU A 76 8.382 3.186 3.891 1.00 64.31 O ATOM 1134 CB GLU A 76 7.542 2.537 0.782 1.00 2.22 C ATOM 1135 CG GLU A 76 8.460 3.111 -0.272 1.00 43.11 C ATOM 1136 CD GLU A 76 9.600 2.208 -0.635 1.00 64.15 C ATOM 1137 OE1 GLU A 76 10.576 2.156 0.134 1.00 3.13 O ATOM 1138 OE2 GLU A 76 9.545 1.572 -1.706 1.00 44.33 O ATOM 0 H GLU A 76 6.775 4.863 0.297 1.00 41.14 H new ATOM 0 HA GLU A 76 6.335 3.104 2.472 1.00 23.33 H new ATOM 0 HB2 GLU A 76 8.031 1.682 1.248 1.00 2.22 H new ATOM 0 HB3 GLU A 76 6.640 2.163 0.298 1.00 2.22 H new ATOM 0 HG2 GLU A 76 7.879 3.326 -1.169 1.00 43.11 H new ATOM 0 HG3 GLU A 76 8.859 4.060 0.085 1.00 43.11 H new ATOM 1145 N ALA A 77 9.219 4.721 2.466 1.00 2.30 N ATOM 1146 CA ALA A 77 10.354 5.095 3.318 1.00 64.21 C ATOM 1147 C ALA A 77 9.892 5.740 4.631 1.00 75.33 C ATOM 1148 O ALA A 77 10.534 5.577 5.670 1.00 60.41 O ATOM 1149 CB ALA A 77 11.288 6.027 2.561 1.00 15.41 C ATOM 0 H ALA A 77 9.182 5.224 1.580 1.00 2.30 H new ATOM 0 HA ALA A 77 10.893 4.184 3.578 1.00 64.21 H new ATOM 0 HB1 ALA A 77 12.127 6.299 3.201 1.00 15.41 H new ATOM 0 HB2 ALA A 77 11.660 5.523 1.669 1.00 15.41 H new ATOM 0 HB3 ALA A 77 10.747 6.927 2.270 1.00 15.41 H new ATOM 1155 N TYR A 78 8.749 6.426 4.565 1.00 4.54 N ATOM 1156 CA TYR A 78 8.128 7.057 5.721 1.00 55.54 C ATOM 1157 C TYR A 78 7.507 6.013 6.678 1.00 51.15 C ATOM 1158 O TYR A 78 7.442 6.231 7.887 1.00 15.11 O ATOM 1159 CB TYR A 78 7.083 8.069 5.245 1.00 2.33 C ATOM 1160 CG TYR A 78 6.634 9.020 6.323 1.00 51.41 C ATOM 1161 CD1 TYR A 78 7.516 9.947 6.858 1.00 11.14 C ATOM 1162 CD2 TYR A 78 5.341 8.981 6.817 1.00 32.02 C ATOM 1163 CE1 TYR A 78 7.122 10.809 7.853 1.00 5.25 C ATOM 1164 CE2 TYR A 78 4.942 9.840 7.811 1.00 61.13 C ATOM 1165 CZ TYR A 78 5.836 10.751 8.326 1.00 63.24 C ATOM 1166 OH TYR A 78 5.443 11.591 9.339 1.00 74.25 O ATOM 0 H TYR A 78 8.228 6.558 3.698 1.00 4.54 H new ATOM 0 HA TYR A 78 8.897 7.580 6.289 1.00 55.54 H new ATOM 0 HB2 TYR A 78 7.495 8.642 4.415 1.00 2.33 H new ATOM 0 HB3 TYR A 78 6.216 7.531 4.862 1.00 2.33 H new ATOM 0 HD1 TYR A 78 8.529 9.992 6.487 1.00 11.14 H new ATOM 0 HD2 TYR A 78 4.638 8.266 6.416 1.00 32.02 H new ATOM 0 HE1 TYR A 78 7.820 11.526 8.259 1.00 5.25 H new ATOM 0 HE2 TYR A 78 3.930 9.801 8.187 1.00 61.13 H new ATOM 0 HH TYR A 78 4.502 11.423 9.557 1.00 74.25 H new ATOM 1176 N LEU A 79 7.034 4.892 6.125 1.00 14.53 N ATOM 1177 CA LEU A 79 6.530 3.775 6.932 1.00 14.45 C ATOM 1178 C LEU A 79 7.683 3.083 7.668 1.00 41.33 C ATOM 1179 O LEU A 79 7.542 2.736 8.846 1.00 21.45 O ATOM 1180 CB LEU A 79 5.775 2.778 6.024 1.00 54.15 C ATOM 1181 CG LEU A 79 4.889 1.683 6.685 1.00 21.53 C ATOM 1182 CD1 LEU A 79 5.692 0.454 7.091 1.00 31.14 C ATOM 1183 CD2 LEU A 79 4.121 2.233 7.881 1.00 75.35 C ATOM 0 H LEU A 79 6.989 4.733 5.118 1.00 14.53 H new ATOM 0 HA LEU A 79 5.837 4.157 7.682 1.00 14.45 H new ATOM 0 HB2 LEU A 79 5.139 3.358 5.355 1.00 54.15 H new ATOM 0 HB3 LEU A 79 6.514 2.273 5.402 1.00 54.15 H new ATOM 0 HG LEU A 79 4.171 1.371 5.926 1.00 21.53 H new ATOM 0 HD11 LEU A 79 5.028 -0.280 7.547 1.00 31.14 H new ATOM 0 HD12 LEU A 79 6.162 0.019 6.209 1.00 31.14 H new ATOM 0 HD13 LEU A 79 6.461 0.742 7.808 1.00 31.14 H new ATOM 0 HD21 LEU A 79 3.513 1.441 8.318 1.00 75.35 H new ATOM 0 HD22 LEU A 79 4.825 2.603 8.626 1.00 75.35 H new ATOM 0 HD23 LEU A 79 3.475 3.048 7.555 1.00 75.35 H new ATOM 1195 N VAL A 80 8.810 2.890 6.967 1.00 34.42 N ATOM 1196 CA VAL A 80 9.987 2.208 7.524 1.00 62.02 C ATOM 1197 C VAL A 80 10.562 2.965 8.729 1.00 34.34 C ATOM 1198 O VAL A 80 10.880 2.346 9.737 1.00 15.53 O ATOM 1199 CB VAL A 80 11.095 1.990 6.446 1.00 72.54 C ATOM 1200 CG1 VAL A 80 12.329 1.302 7.026 1.00 73.51 C ATOM 1201 CG2 VAL A 80 10.559 1.171 5.280 1.00 24.51 C ATOM 0 H VAL A 80 8.931 3.201 6.003 1.00 34.42 H new ATOM 0 HA VAL A 80 9.648 1.230 7.864 1.00 62.02 H new ATOM 0 HB VAL A 80 11.390 2.978 6.092 1.00 72.54 H new ATOM 0 HG11 VAL A 80 13.074 1.170 6.242 1.00 73.51 H new ATOM 0 HG12 VAL A 80 12.747 1.916 7.824 1.00 73.51 H new ATOM 0 HG13 VAL A 80 12.048 0.328 7.427 1.00 73.51 H new ATOM 0 HG21 VAL A 80 11.348 1.031 4.541 1.00 24.51 H new ATOM 0 HG22 VAL A 80 10.224 0.199 5.642 1.00 24.51 H new ATOM 0 HG23 VAL A 80 9.721 1.696 4.822 1.00 24.51 H new ATOM 1211 N GLU A 81 10.634 4.300 8.647 1.00 14.01 N ATOM 1212 CA GLU A 81 11.181 5.102 9.748 1.00 31.20 C ATOM 1213 C GLU A 81 10.269 5.072 10.988 1.00 32.34 C ATOM 1214 O GLU A 81 10.764 5.097 12.113 1.00 42.45 O ATOM 1215 CB GLU A 81 11.460 6.554 9.311 1.00 22.55 C ATOM 1216 CG GLU A 81 10.236 7.331 8.853 1.00 42.20 C ATOM 1217 CD GLU A 81 10.541 8.755 8.479 1.00 4.50 C ATOM 1218 OE1 GLU A 81 10.905 9.003 7.320 1.00 30.14 O ATOM 1219 OE2 GLU A 81 10.417 9.636 9.339 1.00 32.43 O ATOM 0 H GLU A 81 10.324 4.842 7.840 1.00 14.01 H new ATOM 0 HA GLU A 81 12.132 4.646 10.025 1.00 31.20 H new ATOM 0 HB2 GLU A 81 11.920 7.087 10.143 1.00 22.55 H new ATOM 0 HB3 GLU A 81 12.188 6.540 8.500 1.00 22.55 H new ATOM 0 HG2 GLU A 81 9.793 6.825 7.996 1.00 42.20 H new ATOM 0 HG3 GLU A 81 9.491 7.323 9.648 1.00 42.20 H new ATOM 1226 N LYS A 82 8.946 4.963 10.778 1.00 44.20 N ATOM 1227 CA LYS A 82 7.999 4.959 11.889 1.00 71.15 C ATOM 1228 C LYS A 82 7.906 3.611 12.584 1.00 12.21 C ATOM 1229 O LYS A 82 7.713 3.572 13.799 1.00 41.10 O ATOM 1230 CB LYS A 82 6.589 5.320 11.422 1.00 43.42 C ATOM 1231 CG LYS A 82 6.360 6.788 11.160 1.00 72.43 C ATOM 1232 CD LYS A 82 4.884 7.105 11.285 1.00 42.43 C ATOM 1233 CE LYS A 82 4.568 8.542 10.921 1.00 12.50 C ATOM 1234 NZ LYS A 82 5.356 9.531 11.704 1.00 62.20 N ATOM 0 H LYS A 82 8.518 4.878 9.856 1.00 44.20 H new ATOM 0 HA LYS A 82 8.383 5.702 12.588 1.00 71.15 H new ATOM 0 HB2 LYS A 82 6.372 4.765 10.509 1.00 43.42 H new ATOM 0 HB3 LYS A 82 5.876 4.985 12.176 1.00 43.42 H new ATOM 0 HG2 LYS A 82 6.932 7.387 11.869 1.00 72.43 H new ATOM 0 HG3 LYS A 82 6.715 7.049 10.163 1.00 72.43 H new ATOM 0 HD2 LYS A 82 4.316 6.436 10.639 1.00 42.43 H new ATOM 0 HD3 LYS A 82 4.559 6.912 12.308 1.00 42.43 H new ATOM 0 HE2 LYS A 82 4.761 8.692 9.859 1.00 12.50 H new ATOM 0 HE3 LYS A 82 3.505 8.725 11.081 1.00 12.50 H new ATOM 0 HZ1 LYS A 82 5.013 10.491 11.497 1.00 62.20 H new ATOM 0 HZ2 LYS A 82 5.247 9.336 12.720 1.00 62.20 H new ATOM 0 HZ3 LYS A 82 6.360 9.459 11.444 1.00 62.20 H new ATOM 1248 N GLN A 83 8.047 2.520 11.791 1.00 72.42 N ATOM 1249 CA GLN A 83 7.757 1.129 12.225 1.00 42.53 C ATOM 1250 C GLN A 83 6.278 0.956 12.600 1.00 14.42 C ATOM 1251 O GLN A 83 5.902 -0.040 13.220 1.00 64.35 O ATOM 1252 CB GLN A 83 8.640 0.697 13.413 1.00 32.15 C ATOM 1253 CG GLN A 83 10.119 0.620 13.094 1.00 41.44 C ATOM 1254 CD GLN A 83 10.432 -0.512 12.159 1.00 60.13 C ATOM 1255 OE1 GLN A 83 10.708 -1.619 12.589 1.00 14.10 O ATOM 1256 NE2 GLN A 83 10.393 -0.241 10.874 1.00 71.22 N ATOM 0 H GLN A 83 8.368 2.580 10.825 1.00 72.42 H new ATOM 0 HA GLN A 83 7.987 0.489 11.374 1.00 42.53 H new ATOM 0 HB2 GLN A 83 8.493 1.399 14.234 1.00 32.15 H new ATOM 0 HB3 GLN A 83 8.305 -0.279 13.764 1.00 32.15 H new ATOM 0 HG2 GLN A 83 10.443 1.560 12.647 1.00 41.44 H new ATOM 0 HG3 GLN A 83 10.684 0.494 14.018 1.00 41.44 H new ATOM 0 HE21 GLN A 83 10.157 0.700 10.558 1.00 71.22 H new ATOM 0 HE22 GLN A 83 10.598 -0.971 10.192 1.00 71.22 H new ATOM 1265 N ASP A 84 5.437 1.892 12.163 1.00 24.42 N ATOM 1266 CA ASP A 84 4.107 2.033 12.712 1.00 41.34 C ATOM 1267 C ASP A 84 3.081 2.205 11.595 1.00 43.24 C ATOM 1268 O ASP A 84 3.003 3.271 10.978 1.00 1.41 O ATOM 1269 CB ASP A 84 4.078 3.242 13.652 1.00 1.51 C ATOM 1270 CG ASP A 84 3.036 3.122 14.731 1.00 52.53 C ATOM 1271 OD1 ASP A 84 1.848 2.980 14.406 1.00 54.25 O ATOM 1272 OD2 ASP A 84 3.403 3.180 15.916 1.00 31.35 O ATOM 0 H ASP A 84 5.663 2.562 11.428 1.00 24.42 H new ATOM 0 HA ASP A 84 3.851 1.132 13.269 1.00 41.34 H new ATOM 0 HB2 ASP A 84 5.059 3.361 14.113 1.00 1.51 H new ATOM 0 HB3 ASP A 84 3.888 4.144 13.070 1.00 1.51 H new ATOM 1277 N PRO A 85 2.293 1.143 11.307 1.00 61.33 N ATOM 1278 CA PRO A 85 1.263 1.160 10.245 1.00 44.30 C ATOM 1279 C PRO A 85 0.005 1.985 10.569 1.00 14.21 C ATOM 1280 O PRO A 85 -0.832 2.196 9.694 1.00 43.04 O ATOM 1281 CB PRO A 85 0.882 -0.314 10.123 1.00 65.23 C ATOM 1282 CG PRO A 85 1.162 -0.902 11.457 1.00 52.20 C ATOM 1283 CD PRO A 85 2.383 -0.193 11.953 1.00 32.12 C ATOM 0 HA PRO A 85 1.657 1.628 9.343 1.00 44.30 H new ATOM 0 HB2 PRO A 85 -0.168 -0.428 9.855 1.00 65.23 H new ATOM 0 HB3 PRO A 85 1.464 -0.808 9.345 1.00 65.23 H new ATOM 0 HG2 PRO A 85 0.321 -0.758 12.135 1.00 52.20 H new ATOM 0 HG3 PRO A 85 1.333 -1.976 11.385 1.00 52.20 H new ATOM 0 HD2 PRO A 85 2.388 -0.114 13.040 1.00 32.12 H new ATOM 0 HD3 PRO A 85 3.295 -0.717 11.667 1.00 32.12 H new ATOM 1291 N THR A 86 -0.139 2.438 11.815 1.00 64.14 N ATOM 1292 CA THR A 86 -1.344 3.149 12.225 1.00 64.33 C ATOM 1293 C THR A 86 -1.053 4.615 12.600 1.00 21.12 C ATOM 1294 O THR A 86 -1.977 5.429 12.692 1.00 62.13 O ATOM 1295 CB THR A 86 -2.092 2.379 13.370 1.00 71.24 C ATOM 1296 OG1 THR A 86 -3.293 3.055 13.761 1.00 61.11 O ATOM 1297 CG2 THR A 86 -1.237 2.172 14.605 1.00 43.20 C ATOM 0 H THR A 86 0.559 2.325 12.550 1.00 64.14 H new ATOM 0 HA THR A 86 -2.014 3.182 11.365 1.00 64.33 H new ATOM 0 HB THR A 86 -2.331 1.403 12.947 1.00 71.24 H new ATOM 0 HG1 THR A 86 -4.046 2.715 13.234 1.00 61.11 H new ATOM 0 HG21 THR A 86 -1.811 1.634 15.359 1.00 43.20 H new ATOM 0 HG22 THR A 86 -0.352 1.593 14.342 1.00 43.20 H new ATOM 0 HG23 THR A 86 -0.932 3.140 15.003 1.00 43.20 H new ATOM 1305 N ASP A 87 0.221 4.970 12.772 1.00 65.34 N ATOM 1306 CA ASP A 87 0.576 6.336 13.146 1.00 72.22 C ATOM 1307 C ASP A 87 0.704 7.210 11.910 1.00 61.40 C ATOM 1308 O ASP A 87 1.604 7.008 11.094 1.00 73.41 O ATOM 1309 CB ASP A 87 1.886 6.366 13.933 1.00 70.20 C ATOM 1310 CG ASP A 87 2.147 7.704 14.594 1.00 12.21 C ATOM 1311 OD1 ASP A 87 2.660 8.625 13.928 1.00 2.15 O ATOM 1312 OD2 ASP A 87 1.860 7.830 15.796 1.00 20.15 O ATOM 0 H ASP A 87 1.014 4.338 12.660 1.00 65.34 H new ATOM 0 HA ASP A 87 -0.221 6.725 13.780 1.00 72.22 H new ATOM 0 HB2 ASP A 87 1.863 5.588 14.696 1.00 70.20 H new ATOM 0 HB3 ASP A 87 2.712 6.131 13.262 1.00 70.20 H new ATOM 1317 N ILE A 88 -0.212 8.163 11.778 1.00 52.14 N ATOM 1318 CA ILE A 88 -0.209 9.108 10.669 1.00 13.13 C ATOM 1319 C ILE A 88 -1.244 10.212 10.937 1.00 62.12 C ATOM 1320 O ILE A 88 -2.222 9.996 11.658 1.00 10.43 O ATOM 1321 CB ILE A 88 -0.489 8.384 9.305 1.00 74.13 C ATOM 1322 CG1 ILE A 88 -0.267 9.321 8.105 1.00 21.13 C ATOM 1323 CG2 ILE A 88 -1.893 7.777 9.270 1.00 32.32 C ATOM 1324 CD1 ILE A 88 1.168 9.777 7.923 1.00 55.21 C ATOM 0 H ILE A 88 -0.978 8.302 12.438 1.00 52.14 H new ATOM 0 HA ILE A 88 0.779 9.561 10.592 1.00 13.13 H new ATOM 0 HB ILE A 88 0.231 7.569 9.225 1.00 74.13 H new ATOM 0 HG12 ILE A 88 -0.592 8.812 7.197 1.00 21.13 H new ATOM 0 HG13 ILE A 88 -0.902 10.199 8.223 1.00 21.13 H new ATOM 0 HG21 ILE A 88 -2.052 7.284 8.311 1.00 32.32 H new ATOM 0 HG22 ILE A 88 -1.994 7.048 10.074 1.00 32.32 H new ATOM 0 HG23 ILE A 88 -2.634 8.566 9.400 1.00 32.32 H new ATOM 0 HD11 ILE A 88 1.234 10.433 7.055 1.00 55.21 H new ATOM 0 HD12 ILE A 88 1.494 10.317 8.812 1.00 55.21 H new ATOM 0 HD13 ILE A 88 1.809 8.909 7.771 1.00 55.21 H new ATOM 1336 N LYS A 89 -1.001 11.401 10.404 1.00 32.22 N ATOM 1337 CA LYS A 89 -1.982 12.466 10.443 1.00 45.15 C ATOM 1338 C LYS A 89 -2.175 13.046 9.045 1.00 22.22 C ATOM 1339 O LYS A 89 -1.207 13.434 8.384 1.00 21.40 O ATOM 1340 CB LYS A 89 -1.548 13.560 11.426 1.00 21.33 C ATOM 1341 CG LYS A 89 -2.671 14.504 11.827 1.00 30.20 C ATOM 1342 CD LYS A 89 -3.735 13.792 12.654 1.00 45.45 C ATOM 1343 CE LYS A 89 -4.874 14.727 13.018 1.00 71.42 C ATOM 1344 NZ LYS A 89 -5.852 14.074 13.922 1.00 4.12 N ATOM 0 H LYS A 89 -0.128 11.649 9.939 1.00 32.22 H new ATOM 0 HA LYS A 89 -2.932 12.058 10.787 1.00 45.15 H new ATOM 0 HB2 LYS A 89 -1.143 13.090 12.322 1.00 21.33 H new ATOM 0 HB3 LYS A 89 -0.741 14.140 10.977 1.00 21.33 H new ATOM 0 HG2 LYS A 89 -2.261 15.336 12.400 1.00 30.20 H new ATOM 0 HG3 LYS A 89 -3.128 14.927 10.933 1.00 30.20 H new ATOM 0 HD2 LYS A 89 -4.125 12.943 12.093 1.00 45.45 H new ATOM 0 HD3 LYS A 89 -3.285 13.394 13.563 1.00 45.45 H new ATOM 0 HE2 LYS A 89 -4.473 15.619 13.499 1.00 71.42 H new ATOM 0 HE3 LYS A 89 -5.380 15.055 12.110 1.00 71.42 H new ATOM 0 HZ1 LYS A 89 -6.615 14.743 14.149 1.00 4.12 H new ATOM 0 HZ2 LYS A 89 -6.253 13.237 13.453 1.00 4.12 H new ATOM 0 HZ3 LYS A 89 -5.374 13.784 14.799 1.00 4.12 H new ATOM 1358 N TYR A 90 -3.419 13.068 8.584 1.00 1.41 N ATOM 1359 CA TYR A 90 -3.758 13.699 7.314 1.00 11.43 C ATOM 1360 C TYR A 90 -4.554 14.961 7.568 1.00 23.40 C ATOM 1361 O TYR A 90 -5.326 15.035 8.527 1.00 71.25 O ATOM 1362 CB TYR A 90 -4.598 12.794 6.407 1.00 52.20 C ATOM 1363 CG TYR A 90 -4.086 11.395 6.239 1.00 53.13 C ATOM 1364 CD1 TYR A 90 -2.919 11.140 5.544 1.00 22.40 C ATOM 1365 CD2 TYR A 90 -4.778 10.332 6.781 1.00 41.24 C ATOM 1366 CE1 TYR A 90 -2.455 9.857 5.395 1.00 21.33 C ATOM 1367 CE2 TYR A 90 -4.323 9.045 6.642 1.00 52.10 C ATOM 1368 CZ TYR A 90 -3.159 8.814 5.948 1.00 30.35 C ATOM 1369 OH TYR A 90 -2.701 7.535 5.809 1.00 35.42 O ATOM 0 H TYR A 90 -4.213 12.654 9.073 1.00 1.41 H new ATOM 0 HA TYR A 90 -2.814 13.912 6.813 1.00 11.43 H new ATOM 0 HB2 TYR A 90 -5.610 12.746 6.808 1.00 52.20 H new ATOM 0 HB3 TYR A 90 -4.666 13.258 5.423 1.00 52.20 H new ATOM 0 HD1 TYR A 90 -2.365 11.961 5.113 1.00 22.40 H new ATOM 0 HD2 TYR A 90 -5.693 10.516 7.324 1.00 41.24 H new ATOM 0 HE1 TYR A 90 -1.543 9.668 4.847 1.00 21.33 H new ATOM 0 HE2 TYR A 90 -4.874 8.222 7.073 1.00 52.10 H new ATOM 0 HH TYR A 90 -1.734 7.515 5.964 1.00 35.42 H new ATOM 1379 N LYS A 91 -4.371 15.941 6.703 1.00 44.12 N ATOM 1380 CA LYS A 91 -5.152 17.166 6.745 1.00 22.14 C ATOM 1381 C LYS A 91 -5.746 17.469 5.368 1.00 33.03 C ATOM 1382 O LYS A 91 -5.219 18.295 4.614 1.00 4.14 O ATOM 1383 CB LYS A 91 -4.298 18.357 7.270 1.00 0.30 C ATOM 1384 CG LYS A 91 -2.761 18.180 7.211 1.00 44.11 C ATOM 1385 CD LYS A 91 -2.168 18.234 5.796 1.00 44.00 C ATOM 1386 CE LYS A 91 -2.231 19.631 5.202 1.00 34.12 C ATOM 1387 NZ LYS A 91 -1.622 19.692 3.854 1.00 52.12 N ATOM 0 H LYS A 91 -3.680 15.912 5.954 1.00 44.12 H new ATOM 0 HA LYS A 91 -5.976 17.024 7.444 1.00 22.14 H new ATOM 0 HB2 LYS A 91 -4.562 19.246 6.697 1.00 0.30 H new ATOM 0 HB3 LYS A 91 -4.580 18.550 8.305 1.00 0.30 H new ATOM 0 HG2 LYS A 91 -2.295 18.957 7.817 1.00 44.11 H new ATOM 0 HG3 LYS A 91 -2.500 17.224 7.664 1.00 44.11 H new ATOM 0 HD2 LYS A 91 -1.131 17.900 5.825 1.00 44.00 H new ATOM 0 HD3 LYS A 91 -2.708 17.542 5.150 1.00 44.00 H new ATOM 0 HE2 LYS A 91 -3.271 19.953 5.144 1.00 34.12 H new ATOM 0 HE3 LYS A 91 -1.717 20.329 5.863 1.00 34.12 H new ATOM 0 HZ1 LYS A 91 -1.039 20.549 3.775 1.00 52.12 H new ATOM 0 HZ2 LYS A 91 -1.026 18.853 3.704 1.00 52.12 H new ATOM 0 HZ3 LYS A 91 -2.373 19.717 3.135 1.00 52.12 H new ATOM 1401 N ASP A 92 -6.845 16.785 5.037 1.00 55.00 N ATOM 1402 CA ASP A 92 -7.536 16.982 3.767 1.00 23.21 C ATOM 1403 C ASP A 92 -8.972 16.442 3.891 1.00 44.34 C ATOM 1404 O ASP A 92 -9.429 16.140 4.998 1.00 71.32 O ATOM 1405 CB ASP A 92 -6.752 16.212 2.681 1.00 21.43 C ATOM 1406 CG ASP A 92 -7.027 16.652 1.264 1.00 24.21 C ATOM 1407 OD1 ASP A 92 -6.552 17.727 0.872 1.00 13.34 O ATOM 1408 OD2 ASP A 92 -7.687 15.895 0.536 1.00 30.32 O ATOM 0 H ASP A 92 -7.276 16.084 5.640 1.00 55.00 H new ATOM 0 HA ASP A 92 -7.588 18.038 3.501 1.00 23.21 H new ATOM 0 HB2 ASP A 92 -5.686 16.320 2.879 1.00 21.43 H new ATOM 0 HB3 ASP A 92 -6.987 15.151 2.768 1.00 21.43 H new ATOM 1413 N ASN A 93 -9.677 16.323 2.768 1.00 52.22 N ATOM 1414 CA ASN A 93 -10.977 15.662 2.719 1.00 32.54 C ATOM 1415 C ASN A 93 -10.848 14.249 2.126 1.00 72.33 C ATOM 1416 O ASN A 93 -11.851 13.579 1.870 1.00 32.15 O ATOM 1417 CB ASN A 93 -11.976 16.491 1.905 1.00 41.35 C ATOM 1418 CG ASN A 93 -12.407 17.760 2.616 1.00 44.43 C ATOM 1419 OD1 ASN A 93 -11.800 18.817 2.455 1.00 72.43 O ATOM 1420 ND2 ASN A 93 -13.458 17.666 3.414 1.00 41.21 N ATOM 0 H ASN A 93 -9.362 16.682 1.867 1.00 52.22 H new ATOM 0 HA ASN A 93 -11.350 15.575 3.740 1.00 32.54 H new ATOM 0 HB2 ASN A 93 -11.528 16.752 0.946 1.00 41.35 H new ATOM 0 HB3 ASN A 93 -12.855 15.884 1.691 1.00 41.35 H new ATOM 0 HD21 ASN A 93 -13.789 18.487 3.920 1.00 41.21 H new ATOM 0 HD22 ASN A 93 -13.937 16.772 3.523 1.00 41.21 H new ATOM 1427 N ASP A 94 -9.602 13.797 1.937 1.00 71.44 N ATOM 1428 CA ASP A 94 -9.320 12.460 1.426 1.00 34.43 C ATOM 1429 C ASP A 94 -8.261 11.825 2.317 1.00 42.05 C ATOM 1430 O ASP A 94 -8.518 10.831 2.993 1.00 24.01 O ATOM 1431 CB ASP A 94 -8.796 12.494 -0.027 1.00 64.42 C ATOM 1432 CG ASP A 94 -9.008 11.182 -0.779 1.00 72.24 C ATOM 1433 OD1 ASP A 94 -8.755 10.096 -0.215 1.00 14.24 O ATOM 1434 OD2 ASP A 94 -9.416 11.237 -1.958 1.00 13.21 O ATOM 0 H ASP A 94 -8.768 14.349 2.135 1.00 71.44 H new ATOM 0 HA ASP A 94 -10.246 11.886 1.432 1.00 34.43 H new ATOM 0 HB2 ASP A 94 -9.296 13.298 -0.567 1.00 64.42 H new ATOM 0 HB3 ASP A 94 -7.732 12.730 -0.016 1.00 64.42 H new ATOM 1439 N GLY A 95 -7.083 12.446 2.342 1.00 41.23 N ATOM 1440 CA GLY A 95 -5.961 11.876 3.051 1.00 64.13 C ATOM 1441 C GLY A 95 -4.629 12.393 2.559 1.00 10.44 C ATOM 1442 O GLY A 95 -3.720 11.612 2.306 1.00 52.34 O ATOM 0 H GLY A 95 -6.891 13.335 1.881 1.00 41.23 H new ATOM 0 HA2 GLY A 95 -6.060 12.096 4.114 1.00 64.13 H new ATOM 0 HA3 GLY A 95 -5.985 10.791 2.946 1.00 64.13 H new ATOM 1446 N HIS A 96 -4.509 13.708 2.426 1.00 20.04 N ATOM 1447 CA HIS A 96 -3.231 14.331 2.082 1.00 60.35 C ATOM 1448 C HIS A 96 -2.417 14.577 3.337 1.00 3.43 C ATOM 1449 O HIS A 96 -2.923 15.129 4.310 1.00 71.34 O ATOM 1450 CB HIS A 96 -3.422 15.663 1.342 1.00 23.30 C ATOM 1451 CG HIS A 96 -3.668 15.538 -0.134 1.00 74.05 C ATOM 1452 ND1 HIS A 96 -4.497 16.387 -0.831 1.00 43.11 N ATOM 1453 CD2 HIS A 96 -3.176 14.671 -1.045 1.00 41.40 C ATOM 1454 CE1 HIS A 96 -4.502 16.051 -2.104 1.00 44.13 C ATOM 1455 NE2 HIS A 96 -3.713 15.015 -2.262 1.00 61.15 N ATOM 0 H HIS A 96 -5.279 14.366 2.550 1.00 20.04 H new ATOM 0 HA HIS A 96 -2.706 13.643 1.420 1.00 60.35 H new ATOM 0 HB2 HIS A 96 -4.261 16.194 1.791 1.00 23.30 H new ATOM 0 HB3 HIS A 96 -2.535 16.278 1.497 1.00 23.30 H new ATOM 0 HD1 HIS A 96 -5.026 17.158 -0.424 1.00 43.11 H new ATOM 0 HD2 HIS A 96 -2.489 13.860 -0.853 1.00 41.40 H new ATOM 0 HE1 HIS A 96 -5.061 16.545 -2.885 1.00 44.13 H new ATOM 1464 N THR A 97 -1.165 14.170 3.308 1.00 72.02 N ATOM 1465 CA THR A 97 -0.284 14.369 4.437 1.00 25.30 C ATOM 1466 C THR A 97 0.935 15.181 4.010 1.00 33.30 C ATOM 1467 O THR A 97 1.521 14.963 2.945 1.00 25.12 O ATOM 1468 CB THR A 97 0.114 13.026 5.117 1.00 50.21 C ATOM 1469 OG1 THR A 97 1.010 13.254 6.209 1.00 73.33 O ATOM 1470 CG2 THR A 97 0.747 12.050 4.143 1.00 24.03 C ATOM 0 H THR A 97 -0.735 13.698 2.512 1.00 72.02 H new ATOM 0 HA THR A 97 -0.824 14.937 5.194 1.00 25.30 H new ATOM 0 HB THR A 97 -0.810 12.582 5.487 1.00 50.21 H new ATOM 0 HG1 THR A 97 0.496 13.363 7.036 1.00 73.33 H new ATOM 0 HG21 THR A 97 1.006 11.130 4.667 1.00 24.03 H new ATOM 0 HG22 THR A 97 0.042 11.826 3.343 1.00 24.03 H new ATOM 0 HG23 THR A 97 1.648 12.492 3.719 1.00 24.03 H new ATOM 1478 N ASP A 98 1.277 16.149 4.840 1.00 21.01 N ATOM 1479 CA ASP A 98 2.384 17.055 4.570 1.00 14.14 C ATOM 1480 C ASP A 98 3.613 16.606 5.373 1.00 31.44 C ATOM 1481 O ASP A 98 4.708 17.159 5.251 1.00 61.11 O ATOM 1482 CB ASP A 98 1.949 18.484 4.933 1.00 52.31 C ATOM 1483 CG ASP A 98 2.907 19.558 4.452 1.00 12.11 C ATOM 1484 OD1 ASP A 98 3.012 19.762 3.229 1.00 2.10 O ATOM 1485 OD2 ASP A 98 3.538 20.216 5.299 1.00 23.11 O ATOM 0 H ASP A 98 0.797 16.331 5.721 1.00 21.01 H new ATOM 0 HA ASP A 98 2.655 17.038 3.514 1.00 14.14 H new ATOM 0 HB2 ASP A 98 0.963 18.673 4.507 1.00 52.31 H new ATOM 0 HB3 ASP A 98 1.848 18.559 6.016 1.00 52.31 H new ATOM 1490 N ALA A 99 3.414 15.548 6.163 1.00 4.02 N ATOM 1491 CA ALA A 99 4.447 14.987 7.020 1.00 1.31 C ATOM 1492 C ALA A 99 5.469 14.161 6.228 1.00 2.10 C ATOM 1493 O ALA A 99 6.609 13.994 6.670 1.00 31.24 O ATOM 1494 CB ALA A 99 3.798 14.148 8.106 1.00 3.04 C ATOM 0 H ALA A 99 2.522 15.057 6.222 1.00 4.02 H new ATOM 0 HA ALA A 99 4.997 15.810 7.475 1.00 1.31 H new ATOM 0 HB1 ALA A 99 4.570 13.726 8.750 1.00 3.04 H new ATOM 0 HB2 ALA A 99 3.132 14.774 8.700 1.00 3.04 H new ATOM 0 HB3 ALA A 99 3.226 13.341 7.649 1.00 3.04 H new ATOM 1500 N ILE A 100 5.062 13.649 5.059 1.00 12.02 N ATOM 1501 CA ILE A 100 5.981 12.944 4.168 1.00 20.51 C ATOM 1502 C ILE A 100 6.753 13.953 3.317 1.00 23.33 C ATOM 1503 O ILE A 100 7.981 14.016 3.412 1.00 52.11 O ATOM 1504 CB ILE A 100 5.258 11.931 3.233 1.00 74.50 C ATOM 1505 CG1 ILE A 100 4.434 10.937 4.063 1.00 21.12 C ATOM 1506 CG2 ILE A 100 6.275 11.192 2.350 1.00 3.31 C ATOM 1507 CD1 ILE A 100 3.730 9.862 3.258 1.00 73.53 C ATOM 0 H ILE A 100 4.105 13.712 4.713 1.00 12.02 H new ATOM 0 HA ILE A 100 6.662 12.375 4.801 1.00 20.51 H new ATOM 0 HB ILE A 100 4.579 12.481 2.581 1.00 74.50 H new ATOM 0 HG12 ILE A 100 5.093 10.456 4.786 1.00 21.12 H new ATOM 0 HG13 ILE A 100 3.688 11.492 4.632 1.00 21.12 H new ATOM 0 HG21 ILE A 100 5.751 10.488 1.703 1.00 3.31 H new ATOM 0 HG22 ILE A 100 6.817 11.913 1.738 1.00 3.31 H new ATOM 0 HG23 ILE A 100 6.979 10.650 2.981 1.00 3.31 H new ATOM 0 HD11 ILE A 100 3.174 9.209 3.931 1.00 73.53 H new ATOM 0 HD12 ILE A 100 3.041 10.328 2.553 1.00 73.53 H new ATOM 0 HD13 ILE A 100 4.468 9.276 2.710 1.00 73.53 H new ATOM 1519 N SER A 101 5.989 14.717 2.495 1.00 1.23 N ATOM 1520 CA SER A 101 6.510 15.709 1.528 1.00 75.20 C ATOM 1521 C SER A 101 7.192 15.014 0.342 1.00 12.34 C ATOM 1522 O SER A 101 8.262 14.416 0.472 1.00 61.43 O ATOM 1523 CB SER A 101 7.449 16.737 2.180 1.00 42.22 C ATOM 1524 OG SER A 101 6.776 17.467 3.190 1.00 21.10 O ATOM 0 H SER A 101 4.971 14.657 2.488 1.00 1.23 H new ATOM 0 HA SER A 101 5.650 16.265 1.155 1.00 75.20 H new ATOM 0 HB2 SER A 101 8.312 16.227 2.608 1.00 42.22 H new ATOM 0 HB3 SER A 101 7.828 17.422 1.421 1.00 42.22 H new ATOM 0 HG SER A 101 6.104 16.894 3.615 1.00 21.10 H new ATOM 1530 N GLY A 102 6.553 15.091 -0.816 1.00 34.31 N ATOM 1531 CA GLY A 102 7.031 14.381 -1.990 1.00 35.11 C ATOM 1532 C GLY A 102 5.941 13.526 -2.596 1.00 20.11 C ATOM 1533 O GLY A 102 5.955 13.241 -3.793 1.00 11.11 O ATOM 0 H GLY A 102 5.705 15.637 -0.966 1.00 34.31 H new ATOM 0 HA2 GLY A 102 7.389 15.097 -2.730 1.00 35.11 H new ATOM 0 HA3 GLY A 102 7.880 13.753 -1.718 1.00 35.11 H new ATOM 1537 N ALA A 103 4.995 13.119 -1.753 1.00 44.40 N ATOM 1538 CA ALA A 103 3.840 12.353 -2.181 1.00 34.14 C ATOM 1539 C ALA A 103 2.588 13.210 -2.077 1.00 4.11 C ATOM 1540 O ALA A 103 2.067 13.451 -0.986 1.00 74.42 O ATOM 1541 CB ALA A 103 3.704 11.088 -1.356 1.00 14.34 C ATOM 0 H ALA A 103 5.013 13.315 -0.752 1.00 44.40 H new ATOM 0 HA ALA A 103 3.974 12.058 -3.222 1.00 34.14 H new ATOM 0 HB1 ALA A 103 2.832 10.527 -1.692 1.00 14.34 H new ATOM 0 HB2 ALA A 103 4.598 10.476 -1.478 1.00 14.34 H new ATOM 0 HB3 ALA A 103 3.584 11.350 -0.305 1.00 14.34 H new ATOM 1547 N THR A 104 2.135 13.693 -3.223 1.00 1.32 N ATOM 1548 CA THR A 104 0.977 14.577 -3.290 1.00 53.35 C ATOM 1549 C THR A 104 -0.292 13.790 -3.662 1.00 24.02 C ATOM 1550 O THR A 104 -1.356 14.364 -3.899 1.00 71.22 O ATOM 1551 CB THR A 104 1.221 15.716 -4.304 1.00 34.12 C ATOM 1552 OG1 THR A 104 2.633 15.884 -4.522 1.00 72.31 O ATOM 1553 CG2 THR A 104 0.652 17.031 -3.794 1.00 1.23 C ATOM 0 H THR A 104 2.555 13.486 -4.129 1.00 1.32 H new ATOM 0 HA THR A 104 0.830 15.017 -2.304 1.00 53.35 H new ATOM 0 HB THR A 104 0.723 15.446 -5.235 1.00 34.12 H new ATOM 0 HG1 THR A 104 2.781 16.607 -5.167 1.00 72.31 H new ATOM 0 HG21 THR A 104 0.837 17.816 -4.527 1.00 1.23 H new ATOM 0 HG22 THR A 104 -0.422 16.927 -3.638 1.00 1.23 H new ATOM 0 HG23 THR A 104 1.132 17.294 -2.851 1.00 1.23 H new ATOM 1561 N ILE A 105 -0.158 12.469 -3.717 1.00 45.30 N ATOM 1562 CA ILE A 105 -1.288 11.559 -3.844 1.00 12.45 C ATOM 1563 C ILE A 105 -1.768 11.221 -2.415 1.00 52.44 C ATOM 1564 O ILE A 105 -0.965 11.274 -1.474 1.00 1.55 O ATOM 1565 CB ILE A 105 -0.844 10.303 -4.688 1.00 1.03 C ATOM 1566 CG1 ILE A 105 -2.043 9.431 -5.176 1.00 64.14 C ATOM 1567 CG2 ILE A 105 0.216 9.465 -3.959 1.00 53.34 C ATOM 1568 CD1 ILE A 105 -2.502 8.307 -4.254 1.00 50.12 C ATOM 0 H ILE A 105 0.745 11.997 -3.674 1.00 45.30 H new ATOM 0 HA ILE A 105 -2.129 11.998 -4.381 1.00 12.45 H new ATOM 0 HB ILE A 105 -0.379 10.701 -5.590 1.00 1.03 H new ATOM 0 HG12 ILE A 105 -2.892 10.091 -5.354 1.00 64.14 H new ATOM 0 HG13 ILE A 105 -1.774 8.992 -6.137 1.00 64.14 H new ATOM 0 HG21 ILE A 105 0.492 8.611 -4.577 1.00 53.34 H new ATOM 0 HG22 ILE A 105 1.098 10.077 -3.771 1.00 53.34 H new ATOM 0 HG23 ILE A 105 -0.189 9.111 -3.011 1.00 53.34 H new ATOM 0 HD11 ILE A 105 -3.340 7.781 -4.711 1.00 50.12 H new ATOM 0 HD12 ILE A 105 -1.680 7.610 -4.093 1.00 50.12 H new ATOM 0 HD13 ILE A 105 -2.815 8.726 -3.298 1.00 50.12 H new ATOM 1580 N LYS A 106 -3.073 10.965 -2.230 1.00 5.13 N ATOM 1581 CA LYS A 106 -3.608 10.640 -0.904 1.00 31.01 C ATOM 1582 C LYS A 106 -3.046 9.323 -0.337 1.00 41.24 C ATOM 1583 O LYS A 106 -3.220 8.238 -0.883 1.00 15.32 O ATOM 1584 CB LYS A 106 -5.152 10.684 -0.879 1.00 24.43 C ATOM 1585 CG LYS A 106 -5.863 10.278 -2.172 1.00 5.21 C ATOM 1586 CD LYS A 106 -5.978 8.774 -2.330 1.00 10.11 C ATOM 1587 CE LYS A 106 -6.848 8.406 -3.514 1.00 4.44 C ATOM 1588 NZ LYS A 106 -8.273 8.779 -3.295 1.00 70.03 N ATOM 0 H LYS A 106 -3.769 10.977 -2.976 1.00 5.13 H new ATOM 0 HA LYS A 106 -3.259 11.423 -0.231 1.00 31.01 H new ATOM 0 HB2 LYS A 106 -5.500 10.032 -0.078 1.00 24.43 H new ATOM 0 HB3 LYS A 106 -5.461 11.697 -0.622 1.00 24.43 H new ATOM 0 HG2 LYS A 106 -6.860 10.718 -2.187 1.00 5.21 H new ATOM 0 HG3 LYS A 106 -5.321 10.688 -3.024 1.00 5.21 H new ATOM 0 HD2 LYS A 106 -4.985 8.344 -2.459 1.00 10.11 H new ATOM 0 HD3 LYS A 106 -6.397 8.342 -1.421 1.00 10.11 H new ATOM 0 HE2 LYS A 106 -6.475 8.907 -4.408 1.00 4.44 H new ATOM 0 HE3 LYS A 106 -6.778 7.334 -3.697 1.00 4.44 H new ATOM 0 HZ1 LYS A 106 -8.862 8.349 -4.036 1.00 70.03 H new ATOM 0 HZ2 LYS A 106 -8.583 8.435 -2.363 1.00 70.03 H new ATOM 0 HZ3 LYS A 106 -8.371 9.814 -3.332 1.00 70.03 H new ATOM 1602 N VAL A 107 -2.382 9.477 0.798 1.00 32.30 N ATOM 1603 CA VAL A 107 -1.644 8.416 1.481 1.00 32.43 C ATOM 1604 C VAL A 107 -2.575 7.601 2.413 1.00 64.20 C ATOM 1605 O VAL A 107 -2.176 6.587 2.995 1.00 1.15 O ATOM 1606 CB VAL A 107 -0.442 9.095 2.230 1.00 24.11 C ATOM 1607 CG1 VAL A 107 0.278 8.208 3.234 1.00 13.20 C ATOM 1608 CG2 VAL A 107 0.565 9.586 1.207 1.00 75.50 C ATOM 0 H VAL A 107 -2.338 10.371 1.288 1.00 32.30 H new ATOM 0 HA VAL A 107 -1.250 7.685 0.774 1.00 32.43 H new ATOM 0 HB VAL A 107 -0.880 9.909 2.808 1.00 24.11 H new ATOM 0 HG11 VAL A 107 1.091 8.768 3.697 1.00 13.20 H new ATOM 0 HG12 VAL A 107 -0.424 7.884 4.003 1.00 13.20 H new ATOM 0 HG13 VAL A 107 0.684 7.335 2.723 1.00 13.20 H new ATOM 0 HG21 VAL A 107 1.403 10.059 1.719 1.00 75.50 H new ATOM 0 HG22 VAL A 107 0.928 8.742 0.620 1.00 75.50 H new ATOM 0 HG23 VAL A 107 0.089 10.310 0.546 1.00 75.50 H new ATOM 1618 N LYS A 108 -3.852 8.018 2.469 1.00 53.32 N ATOM 1619 CA LYS A 108 -4.878 7.410 3.334 1.00 12.31 C ATOM 1620 C LYS A 108 -5.023 5.908 3.079 1.00 53.30 C ATOM 1621 O LYS A 108 -5.159 5.143 4.026 1.00 72.14 O ATOM 1622 CB LYS A 108 -6.214 8.153 3.118 1.00 1.54 C ATOM 1623 CG LYS A 108 -7.309 7.871 4.149 1.00 2.31 C ATOM 1624 CD LYS A 108 -8.187 6.687 3.762 1.00 32.13 C ATOM 1625 CE LYS A 108 -9.334 6.509 4.732 1.00 73.24 C ATOM 1626 NZ LYS A 108 -10.094 5.267 4.460 1.00 42.23 N ATOM 0 H LYS A 108 -4.204 8.795 1.909 1.00 53.32 H new ATOM 0 HA LYS A 108 -4.571 7.512 4.375 1.00 12.31 H new ATOM 0 HB2 LYS A 108 -6.015 9.225 3.112 1.00 1.54 H new ATOM 0 HB3 LYS A 108 -6.596 7.894 2.131 1.00 1.54 H new ATOM 0 HG2 LYS A 108 -6.849 7.676 5.118 1.00 2.31 H new ATOM 0 HG3 LYS A 108 -7.932 8.758 4.264 1.00 2.31 H new ATOM 0 HD2 LYS A 108 -8.579 6.837 2.756 1.00 32.13 H new ATOM 0 HD3 LYS A 108 -7.585 5.779 3.738 1.00 32.13 H new ATOM 0 HE2 LYS A 108 -8.948 6.484 5.751 1.00 73.24 H new ATOM 0 HE3 LYS A 108 -10.003 7.367 4.666 1.00 73.24 H new ATOM 0 HZ1 LYS A 108 -11.049 5.349 4.863 1.00 42.23 H new ATOM 0 HZ2 LYS A 108 -10.163 5.120 3.433 1.00 42.23 H new ATOM 0 HZ3 LYS A 108 -9.604 4.458 4.893 1.00 42.23 H new ATOM 1640 N LYS A 109 -4.939 5.505 1.805 1.00 34.43 N ATOM 1641 CA LYS A 109 -5.038 4.100 1.405 1.00 13.53 C ATOM 1642 C LYS A 109 -3.876 3.257 1.963 1.00 74.45 C ATOM 1643 O LYS A 109 -4.074 2.116 2.359 1.00 71.24 O ATOM 1644 CB LYS A 109 -5.038 4.024 -0.123 1.00 72.12 C ATOM 1645 CG LYS A 109 -5.356 2.647 -0.685 1.00 63.23 C ATOM 1646 CD LYS A 109 -6.852 2.359 -0.706 1.00 63.10 C ATOM 1647 CE LYS A 109 -7.589 3.271 -1.680 1.00 35.52 C ATOM 1648 NZ LYS A 109 -7.148 3.066 -3.084 1.00 0.13 N ATOM 0 H LYS A 109 -4.800 6.146 1.024 1.00 34.43 H new ATOM 0 HA LYS A 109 -5.963 3.692 1.814 1.00 13.53 H new ATOM 0 HB2 LYS A 109 -5.766 4.737 -0.510 1.00 72.12 H new ATOM 0 HB3 LYS A 109 -4.060 4.335 -0.490 1.00 72.12 H new ATOM 0 HG2 LYS A 109 -4.960 2.571 -1.698 1.00 63.23 H new ATOM 0 HG3 LYS A 109 -4.851 1.888 -0.087 1.00 63.23 H new ATOM 0 HD2 LYS A 109 -7.018 1.319 -0.985 1.00 63.10 H new ATOM 0 HD3 LYS A 109 -7.262 2.490 0.296 1.00 63.10 H new ATOM 0 HE2 LYS A 109 -8.661 3.087 -1.607 1.00 35.52 H new ATOM 0 HE3 LYS A 109 -7.424 4.311 -1.397 1.00 35.52 H new ATOM 0 HZ1 LYS A 109 -7.711 3.670 -3.716 1.00 0.13 H new ATOM 0 HZ2 LYS A 109 -6.142 3.315 -3.172 1.00 0.13 H new ATOM 0 HZ3 LYS A 109 -7.282 2.069 -3.348 1.00 0.13 H new ATOM 1662 N PHE A 110 -2.681 3.844 2.001 1.00 43.42 N ATOM 1663 CA PHE A 110 -1.472 3.160 2.447 1.00 20.25 C ATOM 1664 C PHE A 110 -1.544 2.774 3.927 1.00 64.41 C ATOM 1665 O PHE A 110 -1.343 1.622 4.274 1.00 1.44 O ATOM 1666 CB PHE A 110 -0.246 4.045 2.166 1.00 64.15 C ATOM 1667 CG PHE A 110 1.063 3.434 2.560 1.00 11.32 C ATOM 1668 CD1 PHE A 110 1.701 2.520 1.740 1.00 70.22 C ATOM 1669 CD2 PHE A 110 1.652 3.778 3.759 1.00 53.43 C ATOM 1670 CE1 PHE A 110 2.899 1.955 2.123 1.00 41.35 C ATOM 1671 CE2 PHE A 110 2.841 3.224 4.142 1.00 31.40 C ATOM 1672 CZ PHE A 110 3.468 2.310 3.328 1.00 61.34 C ATOM 0 H PHE A 110 -2.525 4.813 1.721 1.00 43.42 H new ATOM 0 HA PHE A 110 -1.380 2.230 1.886 1.00 20.25 H new ATOM 0 HB2 PHE A 110 -0.218 4.278 1.102 1.00 64.15 H new ATOM 0 HB3 PHE A 110 -0.366 4.990 2.696 1.00 64.15 H new ATOM 0 HD1 PHE A 110 1.258 2.247 0.794 1.00 70.22 H new ATOM 0 HD2 PHE A 110 1.167 4.495 4.404 1.00 53.43 H new ATOM 0 HE1 PHE A 110 3.390 1.237 1.482 1.00 41.35 H new ATOM 0 HE2 PHE A 110 3.288 3.504 5.084 1.00 31.40 H new ATOM 0 HZ PHE A 110 4.406 1.870 3.632 1.00 61.34 H new ATOM 1682 N PHE A 111 -1.849 3.731 4.787 1.00 3.20 N ATOM 1683 CA PHE A 111 -1.885 3.464 6.222 1.00 11.35 C ATOM 1684 C PHE A 111 -3.138 2.693 6.637 1.00 10.52 C ATOM 1685 O PHE A 111 -3.112 1.984 7.634 1.00 24.51 O ATOM 1686 CB PHE A 111 -1.711 4.748 7.017 1.00 44.23 C ATOM 1687 CG PHE A 111 -0.270 5.185 7.114 1.00 44.14 C ATOM 1688 CD1 PHE A 111 0.539 4.732 8.145 1.00 63.45 C ATOM 1689 CD2 PHE A 111 0.275 6.046 6.177 1.00 51.11 C ATOM 1690 CE1 PHE A 111 1.859 5.126 8.235 1.00 43.03 C ATOM 1691 CE2 PHE A 111 1.598 6.442 6.262 1.00 4.00 C ATOM 1692 CZ PHE A 111 2.390 5.982 7.293 1.00 72.13 C ATOM 0 H PHE A 111 -2.074 4.691 4.525 1.00 3.20 H new ATOM 0 HA PHE A 111 -1.041 2.815 6.456 1.00 11.35 H new ATOM 0 HB2 PHE A 111 -2.296 5.541 6.550 1.00 44.23 H new ATOM 0 HB3 PHE A 111 -2.111 4.605 8.021 1.00 44.23 H new ATOM 0 HD1 PHE A 111 0.131 4.062 8.887 1.00 63.45 H new ATOM 0 HD2 PHE A 111 -0.340 6.413 5.369 1.00 51.11 H new ATOM 0 HE1 PHE A 111 2.476 4.764 9.044 1.00 43.03 H new ATOM 0 HE2 PHE A 111 2.010 7.111 5.521 1.00 4.00 H new ATOM 0 HZ PHE A 111 3.423 6.291 7.363 1.00 72.13 H new ATOM 1702 N ASP A 112 -4.213 2.823 5.845 1.00 2.24 N ATOM 1703 CA ASP A 112 -5.450 2.045 6.021 1.00 41.20 C ATOM 1704 C ASP A 112 -5.166 0.549 5.908 1.00 23.03 C ATOM 1705 O ASP A 112 -5.471 -0.241 6.807 1.00 33.14 O ATOM 1706 CB ASP A 112 -6.447 2.403 4.913 1.00 74.34 C ATOM 1707 CG ASP A 112 -7.876 2.103 5.282 1.00 62.23 C ATOM 1708 OD1 ASP A 112 -8.298 0.939 5.158 1.00 42.34 O ATOM 1709 OD2 ASP A 112 -8.586 3.037 5.702 1.00 63.41 O ATOM 0 H ASP A 112 -4.249 3.474 5.060 1.00 2.24 H new ATOM 0 HA ASP A 112 -5.854 2.279 7.006 1.00 41.20 H new ATOM 0 HB2 ASP A 112 -6.354 3.463 4.678 1.00 74.34 H new ATOM 0 HB3 ASP A 112 -6.189 1.852 4.009 1.00 74.34 H new ATOM 1714 N LEU A 113 -4.544 0.201 4.788 1.00 41.21 N ATOM 1715 CA LEU A 113 -4.295 -1.175 4.409 1.00 24.52 C ATOM 1716 C LEU A 113 -3.092 -1.773 5.135 1.00 42.43 C ATOM 1717 O LEU A 113 -2.972 -2.987 5.211 1.00 61.34 O ATOM 1718 CB LEU A 113 -4.115 -1.270 2.888 1.00 21.13 C ATOM 1719 CG LEU A 113 -5.393 -1.473 2.055 1.00 31.25 C ATOM 1720 CD1 LEU A 113 -6.216 -2.599 2.632 1.00 71.51 C ATOM 1721 CD2 LEU A 113 -6.234 -0.214 1.964 1.00 30.02 C ATOM 0 H LEU A 113 -4.195 0.880 4.111 1.00 41.21 H new ATOM 0 HA LEU A 113 -5.163 -1.762 4.710 1.00 24.52 H new ATOM 0 HB2 LEU A 113 -3.626 -0.358 2.545 1.00 21.13 H new ATOM 0 HB3 LEU A 113 -3.435 -2.095 2.676 1.00 21.13 H new ATOM 0 HG LEU A 113 -5.077 -1.726 1.043 1.00 31.25 H new ATOM 0 HD11 LEU A 113 -7.118 -2.734 2.035 1.00 71.51 H new ATOM 0 HD12 LEU A 113 -5.632 -3.519 2.620 1.00 71.51 H new ATOM 0 HD13 LEU A 113 -6.493 -2.358 3.658 1.00 71.51 H new ATOM 0 HD21 LEU A 113 -7.123 -0.413 1.366 1.00 30.02 H new ATOM 0 HD22 LEU A 113 -6.533 0.097 2.965 1.00 30.02 H new ATOM 0 HD23 LEU A 113 -5.652 0.580 1.496 1.00 30.02 H new ATOM 1733 N ALA A 114 -2.198 -0.917 5.636 1.00 3.22 N ATOM 1734 CA ALA A 114 -1.098 -1.351 6.503 1.00 5.21 C ATOM 1735 C ALA A 114 -1.598 -1.875 7.858 1.00 51.42 C ATOM 1736 O ALA A 114 -1.024 -2.809 8.406 1.00 4.34 O ATOM 1737 CB ALA A 114 -0.114 -0.214 6.704 1.00 50.22 C ATOM 0 H ALA A 114 -2.214 0.087 5.455 1.00 3.22 H new ATOM 0 HA ALA A 114 -0.595 -2.180 6.005 1.00 5.21 H new ATOM 0 HB1 ALA A 114 0.699 -0.546 7.349 1.00 50.22 H new ATOM 0 HB2 ALA A 114 0.290 0.092 5.739 1.00 50.22 H new ATOM 0 HB3 ALA A 114 -0.624 0.630 7.168 1.00 50.22 H new ATOM 1743 N GLN A 115 -2.692 -1.298 8.368 1.00 41.43 N ATOM 1744 CA GLN A 115 -3.300 -1.752 9.632 1.00 2.03 C ATOM 1745 C GLN A 115 -3.998 -3.097 9.445 1.00 11.41 C ATOM 1746 O GLN A 115 -3.992 -3.948 10.338 1.00 53.51 O ATOM 1747 CB GLN A 115 -4.312 -0.731 10.138 1.00 25.53 C ATOM 1748 CG GLN A 115 -3.691 0.572 10.582 1.00 53.52 C ATOM 1749 CD GLN A 115 -4.733 1.633 10.858 1.00 43.32 C ATOM 1750 OE1 GLN A 115 -5.248 1.742 11.967 1.00 1.55 O ATOM 1751 NE2 GLN A 115 -5.032 2.436 9.854 1.00 63.30 N ATOM 0 H GLN A 115 -3.177 -0.516 7.928 1.00 41.43 H new ATOM 0 HA GLN A 115 -2.500 -1.862 10.364 1.00 2.03 H new ATOM 0 HB2 GLN A 115 -5.035 -0.528 9.348 1.00 25.53 H new ATOM 0 HB3 GLN A 115 -4.864 -1.163 10.973 1.00 25.53 H new ATOM 0 HG2 GLN A 115 -3.099 0.403 11.481 1.00 53.52 H new ATOM 0 HG3 GLN A 115 -3.007 0.928 9.812 1.00 53.52 H new ATOM 0 HE21 GLN A 115 -4.580 2.310 8.948 1.00 63.30 H new ATOM 0 HE22 GLN A 115 -5.715 3.182 9.984 1.00 63.30 H new ATOM 1760 N LYS A 116 -4.580 -3.269 8.260 1.00 14.55 N ATOM 1761 CA LYS A 116 -5.261 -4.494 7.867 1.00 34.04 C ATOM 1762 C LYS A 116 -4.256 -5.602 7.523 1.00 42.44 C ATOM 1763 O LYS A 116 -4.591 -6.778 7.542 1.00 25.45 O ATOM 1764 CB LYS A 116 -6.196 -4.211 6.690 1.00 71.42 C ATOM 1765 CG LYS A 116 -7.371 -3.309 7.054 1.00 70.11 C ATOM 1766 CD LYS A 116 -8.149 -2.827 5.831 1.00 63.00 C ATOM 1767 CE LYS A 116 -8.764 -3.972 5.041 1.00 41.43 C ATOM 1768 NZ LYS A 116 -9.563 -3.483 3.889 1.00 73.42 N ATOM 0 H LYS A 116 -4.590 -2.549 7.538 1.00 14.55 H new ATOM 0 HA LYS A 116 -5.856 -4.848 8.709 1.00 34.04 H new ATOM 0 HB2 LYS A 116 -5.626 -3.746 5.886 1.00 71.42 H new ATOM 0 HB3 LYS A 116 -6.579 -5.156 6.304 1.00 71.42 H new ATOM 0 HG2 LYS A 116 -8.046 -3.849 7.718 1.00 70.11 H new ATOM 0 HG3 LYS A 116 -7.002 -2.446 7.608 1.00 70.11 H new ATOM 0 HD2 LYS A 116 -8.938 -2.147 6.152 1.00 63.00 H new ATOM 0 HD3 LYS A 116 -7.483 -2.259 5.182 1.00 63.00 H new ATOM 0 HE2 LYS A 116 -7.974 -4.631 4.681 1.00 41.43 H new ATOM 0 HE3 LYS A 116 -9.400 -4.566 5.698 1.00 41.43 H new ATOM 0 HZ1 LYS A 116 -10.540 -3.828 3.973 1.00 73.42 H new ATOM 0 HZ2 LYS A 116 -9.562 -2.443 3.883 1.00 73.42 H new ATOM 0 HZ3 LYS A 116 -9.147 -3.835 3.003 1.00 73.42 H new ATOM 1782 N ALA A 117 -3.045 -5.209 7.130 1.00 63.42 N ATOM 1783 CA ALA A 117 -1.975 -6.156 6.833 1.00 74.42 C ATOM 1784 C ALA A 117 -1.497 -6.855 8.103 1.00 74.14 C ATOM 1785 O ALA A 117 -1.432 -8.080 8.154 1.00 64.54 O ATOM 1786 CB ALA A 117 -0.819 -5.445 6.147 1.00 45.21 C ATOM 0 H ALA A 117 -2.781 -4.231 7.010 1.00 63.42 H new ATOM 0 HA ALA A 117 -2.368 -6.916 6.158 1.00 74.42 H new ATOM 0 HB1 ALA A 117 -0.027 -6.162 5.931 1.00 45.21 H new ATOM 0 HB2 ALA A 117 -1.168 -4.998 5.216 1.00 45.21 H new ATOM 0 HB3 ALA A 117 -0.432 -4.664 6.802 1.00 45.21 H new ATOM 1792 N LEU A 118 -1.222 -6.080 9.148 1.00 14.03 N ATOM 1793 CA LEU A 118 -0.692 -6.632 10.392 1.00 22.13 C ATOM 1794 C LEU A 118 -1.795 -6.930 11.422 1.00 34.54 C ATOM 1795 O LEU A 118 -1.519 -6.962 12.620 1.00 14.24 O ATOM 1796 CB LEU A 118 0.345 -5.677 11.008 1.00 54.00 C ATOM 1797 CG LEU A 118 1.636 -5.510 10.214 1.00 74.02 C ATOM 1798 CD1 LEU A 118 1.653 -4.196 9.469 1.00 4.41 C ATOM 1799 CD2 LEU A 118 2.835 -5.615 11.127 1.00 2.34 C ATOM 0 H LEU A 118 -1.357 -5.069 9.159 1.00 14.03 H new ATOM 0 HA LEU A 118 -0.215 -7.578 10.136 1.00 22.13 H new ATOM 0 HB2 LEU A 118 -0.116 -4.697 11.129 1.00 54.00 H new ATOM 0 HB3 LEU A 118 0.596 -6.036 12.006 1.00 54.00 H new ATOM 0 HG LEU A 118 1.685 -6.313 9.479 1.00 74.02 H new ATOM 0 HD11 LEU A 118 2.586 -4.105 8.912 1.00 4.41 H new ATOM 0 HD12 LEU A 118 0.812 -4.159 8.777 1.00 4.41 H new ATOM 0 HD13 LEU A 118 1.574 -3.374 10.180 1.00 4.41 H new ATOM 0 HD21 LEU A 118 3.748 -5.494 10.544 1.00 2.34 H new ATOM 0 HD22 LEU A 118 2.783 -4.835 11.887 1.00 2.34 H new ATOM 0 HD23 LEU A 118 2.840 -6.592 11.610 1.00 2.34 H new ATOM 1811 N LYS A 119 -3.027 -7.195 10.956 1.00 3.14 N ATOM 1812 CA LYS A 119 -4.163 -7.441 11.859 1.00 1.34 C ATOM 1813 C LYS A 119 -4.044 -8.788 12.586 1.00 50.01 C ATOM 1814 O LYS A 119 -4.422 -8.900 13.752 1.00 41.21 O ATOM 1815 CB LYS A 119 -5.501 -7.338 11.103 1.00 43.12 C ATOM 1816 CG LYS A 119 -5.725 -8.391 10.027 1.00 25.25 C ATOM 1817 CD LYS A 119 -6.982 -8.099 9.233 1.00 21.25 C ATOM 1818 CE LYS A 119 -7.238 -9.141 8.161 1.00 65.45 C ATOM 1819 NZ LYS A 119 -7.585 -10.458 8.742 1.00 23.14 N ATOM 0 H LYS A 119 -3.261 -7.244 9.964 1.00 3.14 H new ATOM 0 HA LYS A 119 -4.140 -6.663 12.622 1.00 1.34 H new ATOM 0 HB2 LYS A 119 -6.314 -7.403 11.826 1.00 43.12 H new ATOM 0 HB3 LYS A 119 -5.563 -6.352 10.642 1.00 43.12 H new ATOM 0 HG2 LYS A 119 -4.866 -8.419 9.357 1.00 25.25 H new ATOM 0 HG3 LYS A 119 -5.802 -9.376 10.488 1.00 25.25 H new ATOM 0 HD2 LYS A 119 -7.836 -8.059 9.909 1.00 21.25 H new ATOM 0 HD3 LYS A 119 -6.896 -7.116 8.769 1.00 21.25 H new ATOM 0 HE2 LYS A 119 -8.048 -8.805 7.514 1.00 65.45 H new ATOM 0 HE3 LYS A 119 -6.352 -9.243 7.535 1.00 65.45 H new ATOM 0 HZ1 LYS A 119 -7.932 -11.088 7.991 1.00 23.14 H new ATOM 0 HZ2 LYS A 119 -6.741 -10.876 9.183 1.00 23.14 H new ATOM 0 HZ3 LYS A 119 -8.326 -10.336 9.461 1.00 23.14 H new ATOM 1833 N ASP A 120 -3.488 -9.792 11.907 1.00 33.33 N ATOM 1834 CA ASP A 120 -3.284 -11.105 12.511 1.00 11.12 C ATOM 1835 C ASP A 120 -1.863 -11.240 13.037 1.00 4.15 C ATOM 1836 O ASP A 120 -1.634 -11.936 14.022 1.00 75.01 O ATOM 1837 CB ASP A 120 -3.550 -12.230 11.506 1.00 14.04 C ATOM 1838 CG ASP A 120 -4.992 -12.302 11.059 1.00 5.23 C ATOM 1839 OD1 ASP A 120 -5.814 -12.915 11.769 1.00 62.51 O ATOM 1840 OD2 ASP A 120 -5.309 -11.760 9.988 1.00 14.10 O ATOM 0 H ASP A 120 -3.172 -9.719 10.940 1.00 33.33 H new ATOM 0 HA ASP A 120 -3.991 -11.192 13.336 1.00 11.12 H new ATOM 0 HB2 ASP A 120 -2.913 -12.087 10.633 1.00 14.04 H new ATOM 0 HB3 ASP A 120 -3.267 -13.183 11.954 1.00 14.04 H new ATOM 1845 N ALA A 121 -0.925 -10.547 12.349 1.00 25.12 N ATOM 1846 CA ALA A 121 0.539 -10.656 12.552 1.00 41.02 C ATOM 1847 C ALA A 121 1.084 -12.091 12.347 1.00 1.25 C ATOM 1848 O ALA A 121 2.210 -12.402 12.746 1.00 62.23 O ATOM 1849 CB ALA A 121 0.957 -10.085 13.907 1.00 24.44 C ATOM 0 H ALA A 121 -1.172 -9.879 11.619 1.00 25.12 H new ATOM 0 HA ALA A 121 0.998 -10.049 11.771 1.00 41.02 H new ATOM 0 HB1 ALA A 121 2.036 -10.180 14.025 1.00 24.44 H new ATOM 0 HB2 ALA A 121 0.678 -9.033 13.960 1.00 24.44 H new ATOM 0 HB3 ALA A 121 0.455 -10.634 14.704 1.00 24.44 H new ATOM 1855 N GLU A 122 0.299 -12.940 11.677 1.00 4.53 N ATOM 1856 CA GLU A 122 0.709 -14.305 11.341 1.00 53.23 C ATOM 1857 C GLU A 122 0.465 -14.580 9.859 1.00 42.13 C ATOM 1858 O GLU A 122 0.519 -15.726 9.407 1.00 31.41 O ATOM 1859 CB GLU A 122 -0.054 -15.333 12.184 1.00 14.42 C ATOM 1860 CG GLU A 122 0.256 -15.284 13.668 1.00 34.12 C ATOM 1861 CD GLU A 122 -0.328 -16.457 14.412 1.00 15.21 C ATOM 1862 OE1 GLU A 122 0.280 -17.542 14.368 1.00 23.21 O ATOM 1863 OE2 GLU A 122 -1.392 -16.304 15.037 1.00 44.13 O ATOM 0 H GLU A 122 -0.638 -12.700 11.353 1.00 4.53 H new ATOM 0 HA GLU A 122 1.773 -14.397 11.558 1.00 53.23 H new ATOM 0 HB2 GLU A 122 -1.124 -15.177 12.044 1.00 14.42 H new ATOM 0 HB3 GLU A 122 0.174 -16.331 11.811 1.00 14.42 H new ATOM 0 HG2 GLU A 122 1.336 -15.267 13.811 1.00 34.12 H new ATOM 0 HG3 GLU A 122 -0.136 -14.358 14.089 1.00 34.12 H new ATOM 1870 N LYS A 123 0.218 -13.511 9.108 1.00 70.33 N ATOM 1871 CA LYS A 123 -0.103 -13.604 7.688 1.00 1.13 C ATOM 1872 C LYS A 123 1.173 -13.816 6.867 1.00 71.33 C ATOM 1873 O LYS A 123 2.241 -13.310 7.226 1.00 30.43 O ATOM 1874 CB LYS A 123 -0.850 -12.335 7.245 1.00 44.54 C ATOM 1875 CG LYS A 123 -2.119 -12.060 8.056 1.00 3.45 C ATOM 1876 CD LYS A 123 -2.930 -10.854 7.558 1.00 13.23 C ATOM 1877 CE LYS A 123 -3.800 -11.177 6.346 1.00 34.21 C ATOM 1878 NZ LYS A 123 -3.050 -11.175 5.061 1.00 62.34 N ATOM 0 H LYS A 123 0.235 -12.556 9.467 1.00 70.33 H new ATOM 0 HA LYS A 123 -0.752 -14.463 7.517 1.00 1.13 H new ATOM 0 HB2 LYS A 123 -0.180 -11.480 7.332 1.00 44.54 H new ATOM 0 HB3 LYS A 123 -1.114 -12.427 6.192 1.00 44.54 H new ATOM 0 HG2 LYS A 123 -2.753 -12.946 8.031 1.00 3.45 H new ATOM 0 HG3 LYS A 123 -1.843 -11.894 9.098 1.00 3.45 H new ATOM 0 HD2 LYS A 123 -3.564 -10.491 8.367 1.00 13.23 H new ATOM 0 HD3 LYS A 123 -2.246 -10.045 7.302 1.00 13.23 H new ATOM 0 HE2 LYS A 123 -4.259 -12.155 6.488 1.00 34.21 H new ATOM 0 HE3 LYS A 123 -4.610 -10.450 6.286 1.00 34.21 H new ATOM 0 HZ1 LYS A 123 -3.498 -10.511 4.398 1.00 62.34 H new ATOM 0 HZ2 LYS A 123 -2.067 -10.882 5.233 1.00 62.34 H new ATOM 0 HZ3 LYS A 123 -3.060 -12.131 4.652 1.00 62.34 H new ATOM 1892 N LEU A 124 1.070 -14.597 5.796 1.00 72.21 N ATOM 1893 CA LEU A 124 2.234 -14.932 4.979 1.00 45.21 C ATOM 1894 C LEU A 124 1.839 -14.931 3.503 1.00 40.34 C ATOM 1895 O LEU A 124 1.117 -15.815 3.032 1.00 2.13 O ATOM 1896 CB LEU A 124 2.808 -16.300 5.418 1.00 13.20 C ATOM 1897 CG LEU A 124 4.325 -16.541 5.210 1.00 2.43 C ATOM 1898 CD1 LEU A 124 4.677 -16.802 3.750 1.00 72.42 C ATOM 1899 CD2 LEU A 124 5.145 -15.377 5.753 1.00 40.34 C ATOM 0 H LEU A 124 0.195 -15.010 5.473 1.00 72.21 H new ATOM 0 HA LEU A 124 3.015 -14.185 5.120 1.00 45.21 H new ATOM 0 HB2 LEU A 124 2.589 -16.432 6.478 1.00 13.20 H new ATOM 0 HB3 LEU A 124 2.267 -17.079 4.881 1.00 13.20 H new ATOM 0 HG LEU A 124 4.577 -17.440 5.772 1.00 2.43 H new ATOM 0 HD11 LEU A 124 5.751 -16.965 3.658 1.00 72.42 H new ATOM 0 HD12 LEU A 124 4.145 -17.687 3.400 1.00 72.42 H new ATOM 0 HD13 LEU A 124 4.387 -15.942 3.147 1.00 72.42 H new ATOM 0 HD21 LEU A 124 6.205 -15.573 5.594 1.00 40.34 H new ATOM 0 HD22 LEU A 124 4.864 -14.461 5.234 1.00 40.34 H new ATOM 0 HD23 LEU A 124 4.953 -15.264 6.820 1.00 40.34 H new ATOM 1911 N GLU A 125 2.307 -13.915 2.788 1.00 12.01 N ATOM 1912 CA GLU A 125 1.979 -13.736 1.372 1.00 62.03 C ATOM 1913 C GLU A 125 3.203 -14.092 0.527 1.00 45.32 C ATOM 1914 O GLU A 125 4.040 -14.894 0.952 1.00 50.31 O ATOM 1915 CB GLU A 125 1.572 -12.274 1.083 1.00 53.10 C ATOM 1916 CG GLU A 125 1.008 -11.491 2.256 1.00 22.53 C ATOM 1917 CD GLU A 125 -0.266 -12.059 2.848 1.00 14.13 C ATOM 1918 OE1 GLU A 125 -1.114 -12.567 2.093 1.00 43.25 O ATOM 1919 OE2 GLU A 125 -0.430 -11.978 4.076 1.00 70.00 O ATOM 0 H GLU A 125 2.921 -13.194 3.167 1.00 12.01 H new ATOM 0 HA GLU A 125 1.141 -14.387 1.122 1.00 62.03 H new ATOM 0 HB2 GLU A 125 2.446 -11.743 0.705 1.00 53.10 H new ATOM 0 HB3 GLU A 125 0.830 -12.276 0.284 1.00 53.10 H new ATOM 0 HG2 GLU A 125 1.765 -11.442 3.039 1.00 22.53 H new ATOM 0 HG3 GLU A 125 0.817 -10.468 1.933 1.00 22.53 H new ATOM 1926 N HIS A 126 3.305 -13.508 -0.674 1.00 24.51 N ATOM 1927 CA HIS A 126 4.523 -13.606 -1.465 1.00 34.52 C ATOM 1928 C HIS A 126 5.599 -12.733 -0.821 1.00 15.14 C ATOM 1929 O HIS A 126 5.494 -11.498 -0.811 1.00 24.15 O ATOM 1930 CB HIS A 126 4.282 -13.189 -2.936 1.00 63.43 C ATOM 1931 CG HIS A 126 5.486 -13.360 -3.832 1.00 24.11 C ATOM 1932 ND1 HIS A 126 5.878 -12.427 -4.766 1.00 54.43 N ATOM 1933 CD2 HIS A 126 6.389 -14.363 -3.916 1.00 31.11 C ATOM 1934 CE1 HIS A 126 6.969 -12.849 -5.378 1.00 41.15 C ATOM 1935 NE2 HIS A 126 7.300 -14.018 -4.881 1.00 74.44 N ATOM 0 H HIS A 126 2.559 -12.967 -1.111 1.00 24.51 H new ATOM 0 HA HIS A 126 4.853 -14.645 -1.482 1.00 34.52 H new ATOM 0 HB2 HIS A 126 3.457 -13.777 -3.338 1.00 63.43 H new ATOM 0 HB3 HIS A 126 3.971 -12.145 -2.960 1.00 63.43 H new ATOM 0 HD1 HIS A 126 5.400 -11.546 -4.956 1.00 54.43 H new ATOM 0 HD2 HIS A 126 6.392 -15.270 -3.330 1.00 31.11 H new ATOM 0 HE1 HIS A 126 7.500 -12.321 -6.157 1.00 41.15 H new ATOM 1944 N HIS A 127 6.612 -13.402 -0.278 1.00 21.31 N ATOM 1945 CA HIS A 127 7.733 -12.746 0.367 1.00 55.15 C ATOM 1946 C HIS A 127 8.567 -12.041 -0.692 1.00 4.02 C ATOM 1947 O HIS A 127 8.938 -12.638 -1.705 1.00 12.43 O ATOM 1948 CB HIS A 127 8.590 -13.772 1.126 1.00 22.33 C ATOM 1949 CG HIS A 127 9.440 -13.188 2.218 1.00 40.15 C ATOM 1950 ND1 HIS A 127 10.469 -12.296 1.997 1.00 52.12 N ATOM 1951 CD2 HIS A 127 9.378 -13.354 3.552 1.00 41.01 C ATOM 1952 CE1 HIS A 127 10.998 -11.942 3.147 1.00 71.43 C ATOM 1953 NE2 HIS A 127 10.355 -12.568 4.106 1.00 2.13 N ATOM 0 H HIS A 127 6.674 -14.420 -0.276 1.00 21.31 H new ATOM 0 HA HIS A 127 7.363 -12.016 1.087 1.00 55.15 H new ATOM 0 HB2 HIS A 127 7.933 -14.526 1.559 1.00 22.33 H new ATOM 0 HB3 HIS A 127 9.237 -14.284 0.414 1.00 22.33 H new ATOM 0 HD1 HIS A 127 10.773 -11.963 1.082 1.00 52.12 H new ATOM 0 HD2 HIS A 127 8.687 -13.989 4.087 1.00 41.01 H new ATOM 0 HE1 HIS A 127 11.820 -11.254 3.280 1.00 71.43 H new ATOM 1962 N HIS A 128 8.837 -10.773 -0.461 1.00 12.31 N ATOM 1963 CA HIS A 128 9.577 -9.970 -1.417 1.00 24.12 C ATOM 1964 C HIS A 128 11.043 -9.878 -1.024 1.00 14.12 C ATOM 1965 O HIS A 128 11.486 -10.542 -0.082 1.00 52.22 O ATOM 1966 CB HIS A 128 8.954 -8.572 -1.543 1.00 25.42 C ATOM 1967 CG HIS A 128 7.616 -8.570 -2.219 1.00 12.43 C ATOM 1968 ND1 HIS A 128 6.548 -7.846 -1.762 1.00 71.52 N ATOM 1969 CD2 HIS A 128 7.187 -9.200 -3.335 1.00 34.23 C ATOM 1970 CE1 HIS A 128 5.516 -8.031 -2.562 1.00 30.23 C ATOM 1971 NE2 HIS A 128 5.876 -8.846 -3.529 1.00 54.30 N ATOM 0 H HIS A 128 8.555 -10.274 0.382 1.00 12.31 H new ATOM 0 HA HIS A 128 9.520 -10.457 -2.391 1.00 24.12 H new ATOM 0 HB2 HIS A 128 8.850 -8.139 -0.548 1.00 25.42 H new ATOM 0 HB3 HIS A 128 9.635 -7.929 -2.101 1.00 25.42 H new ATOM 0 HD2 HIS A 128 7.770 -9.861 -3.960 1.00 34.23 H new ATOM 0 HE1 HIS A 128 4.539 -7.587 -2.443 1.00 30.23 H new ATOM 0 HE2 HIS A 128 5.281 -9.162 -4.295 1.00 54.30 H new ATOM 1980 N HIS A 129 11.801 -9.117 -1.793 1.00 52.55 N ATOM 1981 CA HIS A 129 13.181 -8.807 -1.458 1.00 22.25 C ATOM 1982 C HIS A 129 13.414 -7.328 -1.691 1.00 63.51 C ATOM 1983 O HIS A 129 14.142 -6.917 -2.601 1.00 21.35 O ATOM 1984 CB HIS A 129 14.182 -9.671 -2.252 1.00 51.42 C ATOM 1985 CG HIS A 129 14.215 -11.110 -1.822 1.00 21.52 C ATOM 1986 ND1 HIS A 129 13.696 -12.137 -2.577 1.00 21.25 N ATOM 1987 CD2 HIS A 129 14.698 -11.685 -0.697 1.00 63.03 C ATOM 1988 CE1 HIS A 129 13.855 -13.276 -1.935 1.00 2.20 C ATOM 1989 NE2 HIS A 129 14.460 -13.033 -0.795 1.00 42.13 N ATOM 0 H HIS A 129 11.479 -8.697 -2.665 1.00 52.55 H new ATOM 0 HA HIS A 129 13.352 -9.044 -0.408 1.00 22.25 H new ATOM 0 HB2 HIS A 129 13.928 -9.624 -3.311 1.00 51.42 H new ATOM 0 HB3 HIS A 129 15.180 -9.246 -2.144 1.00 51.42 H new ATOM 0 HD2 HIS A 129 15.181 -11.178 0.125 1.00 63.03 H new ATOM 0 HE1 HIS A 129 13.540 -14.247 -2.287 1.00 2.20 H new ATOM 0 HE2 HIS A 129 14.712 -13.732 -0.096 1.00 42.13 H new ATOM 1998 N HIS A 130 12.731 -6.538 -0.879 1.00 2.41 N ATOM 1999 CA HIS A 130 12.795 -5.094 -0.961 1.00 5.54 C ATOM 2000 C HIS A 130 13.969 -4.589 -0.123 1.00 12.22 C ATOM 2001 O HIS A 130 14.211 -5.083 0.975 1.00 24.43 O ATOM 2002 CB HIS A 130 11.462 -4.496 -0.468 1.00 23.23 C ATOM 2003 CG HIS A 130 11.328 -3.006 -0.631 1.00 61.24 C ATOM 2004 ND1 HIS A 130 11.787 -2.106 0.306 1.00 13.42 N ATOM 2005 CD2 HIS A 130 10.788 -2.265 -1.624 1.00 22.20 C ATOM 2006 CE1 HIS A 130 11.535 -0.885 -0.104 1.00 54.54 C ATOM 2007 NE2 HIS A 130 10.930 -0.948 -1.271 1.00 4.23 N ATOM 0 H HIS A 130 12.115 -6.884 -0.143 1.00 2.41 H new ATOM 0 HA HIS A 130 12.952 -4.782 -1.994 1.00 5.54 H new ATOM 0 HB2 HIS A 130 10.645 -4.979 -1.005 1.00 23.23 H new ATOM 0 HB3 HIS A 130 11.340 -4.742 0.587 1.00 23.23 H new ATOM 0 HD2 HIS A 130 10.330 -2.640 -2.527 1.00 22.20 H new ATOM 0 HE1 HIS A 130 11.783 0.021 0.428 1.00 54.54 H new ATOM 0 HE2 HIS A 130 10.618 -0.148 -1.822 1.00 4.23 H new ATOM 2016 N HIS A 131 14.707 -3.629 -0.662 1.00 63.24 N ATOM 2017 CA HIS A 131 15.796 -2.996 0.071 1.00 15.34 C ATOM 2018 C HIS A 131 15.893 -1.525 -0.323 1.00 11.23 C ATOM 2019 O HIS A 131 15.039 -1.014 -1.049 1.00 72.13 O ATOM 2020 CB HIS A 131 17.121 -3.727 -0.205 1.00 30.11 C ATOM 2021 CG HIS A 131 18.129 -3.604 0.902 1.00 63.42 C ATOM 2022 ND1 HIS A 131 18.343 -4.596 1.830 1.00 52.43 N ATOM 2023 CD2 HIS A 131 18.981 -2.606 1.227 1.00 34.13 C ATOM 2024 CE1 HIS A 131 19.277 -4.214 2.675 1.00 11.01 C ATOM 2025 NE2 HIS A 131 19.682 -3.012 2.333 1.00 30.21 N ATOM 0 H HIS A 131 14.571 -3.270 -1.607 1.00 63.24 H new ATOM 0 HA HIS A 131 15.594 -3.058 1.140 1.00 15.34 H new ATOM 0 HB2 HIS A 131 16.912 -4.783 -0.377 1.00 30.11 H new ATOM 0 HB3 HIS A 131 17.556 -3.334 -1.124 1.00 30.11 H new ATOM 0 HD2 HIS A 131 19.089 -1.663 0.711 1.00 34.13 H new ATOM 0 HE1 HIS A 131 19.648 -4.791 3.509 1.00 11.01 H new ATOM 0 HE2 HIS A 131 20.401 -2.469 2.812 1.00 30.21 H new TER 2034 HIS A 131