USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1230 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 95 SER OG : rot 90:sc= 1.24 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -6.22! C(o=-5!,f=-12!) USER MOD Set 2.1: A 93 ASN : amide:sc= 1.1 X(o=1.1,f=1.2) USER MOD Set 2.2: A 94 SER OG : rot 82:sc= 0.00681 USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= 0 F(o=-4.8!,f=-2.6) USER MOD Set 3.2: A 84 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.1!) USER MOD Single : A 1 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.7!) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 0.827 (180deg=0.432) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -4.01 K(o=-4,f=-5.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 131:sc= 0.661 USER MOD Single : A 13 LYS NZ :NH3+ 136:sc= 1.13 (180deg=-0.017) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -81:sc= 0.865 USER MOD Single : A 21 LYS NZ :NH3+ 136:sc= -0.0481 (180deg=-0.253) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.427 USER MOD Single : A 34 ASN :FLIP amide:sc= -5.96! C(o=-7.8!,f=-6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 15:sc= 0.552 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0349) USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 0.518 (180deg=-2.87) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.245 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.95 F(o=-4.1,f=-1.9) USER MOD Single : A 63 HIS : no HE2:sc= -7.15! C(o=-7.1!,f=-7.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -86:sc= 1.28 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.298 F(o=-1.1,f=-0.3) USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -2.72! (180deg=-4.31!) USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0.523 (180deg=0.519) USER MOD Single : A 109 THR OG1 : rot -7:sc= 0.612 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 117 HIS : no HD1:sc= -0.0058 X(o=-0.0058,f=0) USER MOD Single : A 121 MET CE :methyl -169:sc=-0.00143 (180deg=-0.16) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0178) USER MOD Single : A 125 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.7!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.67! C(o=-0.67!,f=-6.5!) USER MOD Single : A 133 MET CE :methyl -156:sc= -0.231 (180deg=-1.03) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 137:sc= 1.31 USER MOD Single : A 142 GLN : amide:sc=-0.00165 X(o=-0.0017,f=-0.1) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN :FLIP amide:sc= -0.449 F(o=-1.7!,f=-0.45) USER MOD Single : A 147 LYS NZ :NH3+ -158:sc= 1.11 (180deg=0.676) USER MOD Single : A 154 LYS NZ :NH3+ -151:sc= 2.33 (180deg=-0.809) USER MOD Single : A 155 LYS NZ :NH3+ 164:sc= -0.0151 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.774 12.330 -8.524 1.00 1.65 N ATOM 2 CA ASN A 1 6.546 12.582 -7.082 1.00 1.32 C ATOM 3 C ASN A 1 7.590 11.865 -6.227 1.00 1.24 C ATOM 4 O ASN A 1 7.688 10.639 -6.247 1.00 1.61 O ATOM 5 CB ASN A 1 5.122 12.154 -6.669 1.00 1.23 C ATOM 6 CG ASN A 1 4.813 10.690 -6.944 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.332 10.095 -7.888 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.948 10.100 -6.128 1.00 1.42 N ATOM 0 H1 ASN A 1 6.340 13.092 -9.083 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.796 12.301 -8.714 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.346 11.420 -8.789 1.00 1.65 H new ATOM 0 HA ASN A 1 6.646 13.654 -6.911 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.989 12.349 -5.605 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.399 12.773 -7.200 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.694 9.123 -6.274 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.537 10.624 -5.355 1.00 1.42 H new ATOM 17 N TYR A 2 8.396 12.655 -5.517 1.00 1.16 N ATOM 18 CA TYR A 2 9.370 12.140 -4.549 1.00 1.12 C ATOM 19 C TYR A 2 10.099 13.297 -3.875 1.00 1.22 C ATOM 20 O TYR A 2 10.500 13.194 -2.719 1.00 1.20 O ATOM 21 CB TYR A 2 10.390 11.188 -5.208 1.00 1.31 C ATOM 22 CG TYR A 2 11.438 11.871 -6.063 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.680 12.210 -5.543 1.00 2.21 C ATOM 24 CD2 TYR A 2 11.177 12.180 -7.394 1.00 1.84 C ATOM 25 CE1 TYR A 2 13.635 12.832 -6.325 1.00 2.90 C ATOM 26 CE2 TYR A 2 12.126 12.802 -8.181 1.00 2.43 C ATOM 27 CZ TYR A 2 13.371 13.120 -7.622 1.00 2.97 C ATOM 28 OH TYR A 2 14.302 13.742 -8.423 1.00 3.73 O ATOM 0 H TYR A 2 8.393 13.672 -5.596 1.00 1.16 H new ATOM 0 HA TYR A 2 8.820 11.569 -3.802 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.894 10.620 -4.426 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.850 10.470 -5.825 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.903 11.984 -4.511 1.00 2.21 H new ATOM 0 HD2 TYR A 2 10.216 11.929 -7.819 1.00 1.84 H new ATOM 0 HE1 TYR A 2 14.594 13.089 -5.901 1.00 2.90 H new ATOM 0 HE2 TYR A 2 11.912 13.040 -9.212 1.00 2.43 H new ATOM 0 HH TYR A 2 13.931 13.864 -9.322 1.00 3.73 H new ATOM 38 N ASP A 3 10.258 14.401 -4.606 1.00 1.44 N ATOM 39 CA ASP A 3 10.990 15.565 -4.104 1.00 1.65 C ATOM 40 C ASP A 3 10.277 16.215 -2.913 1.00 1.53 C ATOM 41 O ASP A 3 10.906 16.494 -1.895 1.00 1.62 O ATOM 42 CB ASP A 3 11.224 16.587 -5.223 1.00 1.99 C ATOM 43 CG ASP A 3 11.998 17.803 -4.751 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.236 17.713 -4.629 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.376 18.855 -4.493 1.00 2.63 O ATOM 0 H ASP A 3 9.889 14.514 -5.550 1.00 1.44 H new ATOM 0 HA ASP A 3 11.959 15.213 -3.751 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.767 16.109 -6.038 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.262 16.907 -5.625 1.00 1.99 H new ATOM 50 N PRO A 4 8.970 16.502 -3.004 1.00 1.46 N ATOM 51 CA PRO A 4 8.215 16.932 -1.845 1.00 1.45 C ATOM 52 C PRO A 4 7.659 15.735 -1.083 1.00 1.27 C ATOM 53 O PRO A 4 8.079 15.440 0.037 1.00 1.34 O ATOM 54 CB PRO A 4 7.095 17.792 -2.440 1.00 1.61 C ATOM 55 CG PRO A 4 7.033 17.464 -3.907 1.00 1.63 C ATOM 56 CD PRO A 4 8.132 16.474 -4.209 1.00 1.52 C ATOM 0 HA PRO A 4 8.819 17.480 -1.121 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.143 17.578 -1.955 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.299 18.852 -2.288 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.060 17.044 -4.163 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.158 18.367 -4.505 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.732 15.477 -4.395 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.697 16.762 -5.096 1.00 1.52 H new ATOM 64 N PHE A 5 6.712 15.056 -1.706 1.00 1.17 N ATOM 65 CA PHE A 5 6.126 13.849 -1.159 1.00 1.11 C ATOM 66 C PHE A 5 5.580 12.993 -2.291 1.00 0.94 C ATOM 67 O PHE A 5 5.310 13.506 -3.379 1.00 1.01 O ATOM 68 CB PHE A 5 5.005 14.202 -0.178 1.00 1.40 C ATOM 69 CG PHE A 5 4.015 15.196 -0.720 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.113 16.541 -0.400 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.984 14.784 -1.548 1.00 2.34 C ATOM 72 CE1 PHE A 5 3.202 17.453 -0.894 1.00 2.39 C ATOM 73 CE2 PHE A 5 2.071 15.693 -2.045 1.00 3.21 C ATOM 74 CZ PHE A 5 2.195 17.037 -1.728 1.00 3.19 C ATOM 0 H PHE A 5 6.327 15.329 -2.610 1.00 1.17 H new ATOM 0 HA PHE A 5 6.893 13.290 -0.622 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.476 13.290 0.098 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.446 14.603 0.734 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.912 16.880 0.243 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.893 13.740 -1.808 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.282 18.496 -0.624 1.00 2.39 H new ATOM 0 HE2 PHE A 5 1.263 15.358 -2.679 1.00 3.21 H new ATOM 0 HZ PHE A 5 1.500 17.755 -2.137 1.00 3.19 H new ATOM 84 N VAL A 6 5.438 11.699 -2.059 1.00 0.85 N ATOM 85 CA VAL A 6 4.696 10.863 -2.991 1.00 0.79 C ATOM 86 C VAL A 6 3.259 10.701 -2.465 1.00 0.69 C ATOM 87 O VAL A 6 3.027 10.146 -1.391 1.00 0.77 O ATOM 88 CB VAL A 6 5.384 9.483 -3.249 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.894 9.642 -3.356 1.00 1.44 C ATOM 90 CG2 VAL A 6 5.035 8.447 -2.197 1.00 1.41 C ATOM 0 H VAL A 6 5.819 11.210 -1.249 1.00 0.85 H new ATOM 0 HA VAL A 6 4.677 11.355 -3.963 1.00 0.79 H new ATOM 0 HB VAL A 6 4.996 9.116 -4.199 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.351 8.669 -3.535 1.00 1.44 H new ATOM 0 HG12 VAL A 6 7.132 10.312 -4.182 1.00 1.44 H new ATOM 0 HG13 VAL A 6 7.283 10.059 -2.427 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.541 7.509 -2.428 1.00 1.41 H new ATOM 0 HG22 VAL A 6 5.356 8.801 -1.217 1.00 1.41 H new ATOM 0 HG23 VAL A 6 3.957 8.285 -2.189 1.00 1.41 H new ATOM 100 N ARG A 7 2.294 11.251 -3.176 1.00 0.64 N ATOM 101 CA ARG A 7 0.931 11.257 -2.671 1.00 0.56 C ATOM 102 C ARG A 7 0.055 10.228 -3.372 1.00 0.54 C ATOM 103 O ARG A 7 0.224 9.933 -4.555 1.00 0.64 O ATOM 104 CB ARG A 7 0.313 12.649 -2.794 1.00 0.57 C ATOM 105 CG ARG A 7 -1.111 12.727 -2.255 1.00 0.57 C ATOM 106 CD ARG A 7 -1.525 14.160 -1.993 1.00 0.71 C ATOM 107 NE ARG A 7 -0.788 14.739 -0.872 1.00 1.61 N ATOM 108 CZ ARG A 7 -1.262 15.705 -0.090 1.00 2.25 C ATOM 109 NH1 ARG A 7 -2.499 16.156 -0.258 1.00 2.26 N ATOM 110 NH2 ARG A 7 -0.513 16.186 0.891 1.00 3.37 N ATOM 0 H ARG A 7 2.421 11.692 -4.087 1.00 0.64 H new ATOM 0 HA ARG A 7 0.981 10.983 -1.617 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.937 13.364 -2.258 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.314 12.948 -3.842 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.798 12.273 -2.970 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.185 12.151 -1.333 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.354 14.758 -2.888 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.594 14.198 -1.784 1.00 0.71 H new ATOM 0 HE ARG A 7 0.147 14.381 -0.677 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.091 15.762 -0.989 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -2.858 16.897 0.344 1.00 2.26 H new ATOM 0 HH21 ARG A 7 0.425 15.816 1.045 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -0.874 16.927 1.492 1.00 3.37 H new ATOM 124 N HIS A 8 -0.876 9.685 -2.607 1.00 0.47 N ATOM 125 CA HIS A 8 -1.858 8.740 -3.113 1.00 0.46 C ATOM 126 C HIS A 8 -3.229 9.394 -3.071 1.00 0.39 C ATOM 127 O HIS A 8 -3.607 9.971 -2.061 1.00 0.39 O ATOM 128 CB HIS A 8 -1.809 7.486 -2.223 1.00 0.56 C ATOM 129 CG HIS A 8 -2.910 6.470 -2.376 1.00 0.45 C ATOM 130 ND1 HIS A 8 -3.114 5.477 -1.438 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.861 6.286 -3.321 1.00 0.79 C ATOM 132 CE1 HIS A 8 -4.135 4.729 -1.796 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.610 5.199 -2.935 1.00 0.76 N ATOM 0 H HIS A 8 -0.973 9.888 -1.612 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.648 8.453 -4.143 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.861 6.982 -2.408 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -1.799 7.814 -1.184 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.557 5.344 -0.594 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -4.005 6.881 -4.211 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.518 3.878 -1.253 1.00 0.41 H new ATOM 142 N SER A 9 -3.973 9.288 -4.155 1.00 0.42 N ATOM 143 CA SER A 9 -5.308 9.847 -4.203 1.00 0.40 C ATOM 144 C SER A 9 -6.238 8.899 -4.943 1.00 0.41 C ATOM 145 O SER A 9 -6.004 8.561 -6.101 1.00 0.53 O ATOM 146 CB SER A 9 -5.290 11.224 -4.877 1.00 0.52 C ATOM 147 OG SER A 9 -4.400 12.112 -4.214 1.00 1.28 O ATOM 0 H SER A 9 -3.676 8.821 -5.012 1.00 0.42 H new ATOM 0 HA SER A 9 -5.675 9.974 -3.185 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.991 11.117 -5.920 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.295 11.645 -4.876 1.00 0.52 H new ATOM 0 HG SER A 9 -4.408 12.981 -4.666 1.00 1.28 H new ATOM 153 N VAL A 10 -7.266 8.443 -4.249 1.00 0.35 N ATOM 154 CA VAL A 10 -8.217 7.494 -4.812 1.00 0.36 C ATOM 155 C VAL A 10 -9.627 7.779 -4.315 1.00 0.32 C ATOM 156 O VAL A 10 -9.836 7.996 -3.121 1.00 0.32 O ATOM 157 CB VAL A 10 -7.832 6.032 -4.454 1.00 0.45 C ATOM 158 CG1 VAL A 10 -9.033 5.099 -4.523 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.728 5.529 -5.369 1.00 1.18 C ATOM 0 H VAL A 10 -7.466 8.716 -3.287 1.00 0.35 H new ATOM 0 HA VAL A 10 -8.187 7.611 -5.895 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.469 6.035 -3.426 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.722 4.086 -4.266 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.795 5.434 -3.820 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.443 5.107 -5.533 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.473 4.503 -5.102 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.070 5.560 -6.403 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.848 6.162 -5.259 1.00 1.18 H new ATOM 169 N THR A 11 -10.580 7.801 -5.232 1.00 0.35 N ATOM 170 CA THR A 11 -11.978 7.887 -4.865 1.00 0.34 C ATOM 171 C THR A 11 -12.584 6.484 -4.836 1.00 0.33 C ATOM 172 O THR A 11 -12.652 5.800 -5.858 1.00 0.43 O ATOM 173 CB THR A 11 -12.761 8.769 -5.855 1.00 0.46 C ATOM 174 OG1 THR A 11 -12.042 9.988 -6.093 1.00 0.57 O ATOM 175 CG2 THR A 11 -14.148 9.091 -5.317 1.00 0.51 C ATOM 0 H THR A 11 -10.408 7.760 -6.237 1.00 0.35 H new ATOM 0 HA THR A 11 -12.046 8.342 -3.877 1.00 0.34 H new ATOM 0 HB THR A 11 -12.872 8.220 -6.790 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.979 10.148 -7.058 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.681 9.715 -6.035 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.701 8.165 -5.160 1.00 0.51 H new ATOM 0 HG23 THR A 11 -14.056 9.624 -4.371 1.00 0.51 H new ATOM 183 N VAL A 12 -13.003 6.064 -3.658 1.00 0.29 N ATOM 184 CA VAL A 12 -13.570 4.742 -3.455 1.00 0.35 C ATOM 185 C VAL A 12 -15.098 4.791 -3.526 1.00 0.32 C ATOM 186 O VAL A 12 -15.720 5.732 -3.027 1.00 0.36 O ATOM 187 CB VAL A 12 -13.092 4.178 -2.098 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.933 2.999 -1.648 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.622 3.790 -2.191 1.00 0.81 C ATOM 0 H VAL A 12 -12.960 6.631 -2.811 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.227 4.079 -4.250 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.210 4.959 -1.346 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.563 2.633 -0.690 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.971 3.313 -1.540 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.870 2.203 -2.390 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.289 3.393 -1.232 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.494 3.031 -2.962 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -11.029 4.669 -2.445 1.00 0.81 H new ATOM 199 N LYS A 13 -15.690 3.773 -4.147 1.00 0.34 N ATOM 200 CA LYS A 13 -17.126 3.756 -4.418 1.00 0.38 C ATOM 201 C LYS A 13 -17.890 2.831 -3.467 1.00 0.31 C ATOM 202 O LYS A 13 -18.989 2.375 -3.795 1.00 0.37 O ATOM 203 CB LYS A 13 -17.396 3.330 -5.875 1.00 0.58 C ATOM 204 CG LYS A 13 -16.662 2.062 -6.324 1.00 0.68 C ATOM 205 CD LYS A 13 -15.276 2.379 -6.873 1.00 0.97 C ATOM 206 CE LYS A 13 -15.352 3.276 -8.104 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.922 2.573 -9.284 1.00 0.98 N ATOM 0 H LYS A 13 -15.194 2.944 -4.474 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.487 4.772 -4.256 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.468 3.175 -6.000 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.113 4.149 -6.536 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.572 1.376 -5.482 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.249 1.553 -7.089 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.682 2.868 -6.102 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.764 1.451 -7.129 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.962 4.150 -7.876 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.353 3.639 -8.348 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -16.606 3.194 -9.761 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.157 2.328 -9.945 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.401 1.704 -8.972 1.00 0.98 H new ATOM 221 N ALA A 14 -17.339 2.571 -2.284 1.00 0.29 N ATOM 222 CA ALA A 14 -18.001 1.670 -1.341 1.00 0.30 C ATOM 223 C ALA A 14 -17.599 1.933 0.107 1.00 0.28 C ATOM 224 O ALA A 14 -17.520 0.999 0.910 1.00 0.31 O ATOM 225 CB ALA A 14 -17.719 0.224 -1.722 1.00 0.36 C ATOM 0 H ALA A 14 -16.455 2.961 -1.959 1.00 0.29 H new ATOM 0 HA ALA A 14 -19.072 1.862 -1.405 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.215 -0.442 -1.016 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -18.095 0.032 -2.727 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.644 0.044 -1.697 1.00 0.36 H new ATOM 231 N ASP A 15 -17.370 3.202 0.438 1.00 0.28 N ATOM 232 CA ASP A 15 -17.126 3.624 1.828 1.00 0.31 C ATOM 233 C ASP A 15 -15.742 3.192 2.336 1.00 0.28 C ATOM 234 O ASP A 15 -15.056 2.370 1.723 1.00 0.29 O ATOM 235 CB ASP A 15 -18.245 3.095 2.745 1.00 0.39 C ATOM 236 CG ASP A 15 -18.065 3.482 4.200 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.535 2.661 4.972 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.441 4.610 4.574 1.00 0.76 O ATOM 0 H ASP A 15 -17.347 3.965 -0.238 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.137 4.714 1.849 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.204 3.475 2.392 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.284 2.008 2.668 1.00 0.39 H new ATOM 243 N ARG A 16 -15.347 3.762 3.469 1.00 0.28 N ATOM 244 CA ARG A 16 -14.016 3.583 4.033 1.00 0.27 C ATOM 245 C ARG A 16 -13.813 2.158 4.542 1.00 0.28 C ATOM 246 O ARG A 16 -12.677 1.687 4.637 1.00 0.28 O ATOM 247 CB ARG A 16 -13.813 4.605 5.159 1.00 0.29 C ATOM 248 CG ARG A 16 -12.381 4.762 5.628 1.00 0.28 C ATOM 249 CD ARG A 16 -12.179 6.093 6.340 1.00 0.40 C ATOM 250 NE ARG A 16 -13.120 6.299 7.437 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.989 7.256 8.354 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.951 8.079 8.309 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.902 7.398 9.304 1.00 1.88 N ATOM 0 H ARG A 16 -15.949 4.368 4.027 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.273 3.748 3.253 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.177 5.575 4.820 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.429 4.313 6.010 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.124 3.944 6.301 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.706 4.697 4.774 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.161 6.141 6.727 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.285 6.904 5.620 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.924 5.674 7.505 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.253 7.979 7.572 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.851 8.812 9.011 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.708 6.773 9.334 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.799 8.132 10.005 1.00 1.88 H new ATOM 267 N LYS A 17 -14.911 1.475 4.860 1.00 0.33 N ATOM 268 CA LYS A 17 -14.844 0.083 5.297 1.00 0.39 C ATOM 269 C LYS A 17 -14.194 -0.794 4.235 1.00 0.35 C ATOM 270 O LYS A 17 -13.281 -1.565 4.531 1.00 0.37 O ATOM 271 CB LYS A 17 -16.235 -0.457 5.634 1.00 0.53 C ATOM 272 CG LYS A 17 -16.583 -0.411 7.114 1.00 1.34 C ATOM 273 CD LYS A 17 -16.647 1.009 7.648 1.00 1.70 C ATOM 274 CE LYS A 17 -17.116 1.032 9.093 1.00 2.46 C ATOM 275 NZ LYS A 17 -17.296 2.417 9.596 1.00 3.05 N ATOM 0 H LYS A 17 -15.854 1.862 4.823 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.231 0.055 6.198 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.978 0.116 5.080 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.305 -1.488 5.288 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -17.544 -0.901 7.274 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.840 -0.975 7.677 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -15.663 1.473 7.575 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.325 1.601 7.033 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.058 0.490 9.177 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -16.391 0.510 9.718 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -17.616 2.388 10.585 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -16.391 2.927 9.540 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -18.006 2.907 9.016 1.00 3.05 H new ATOM 289 N THR A 18 -14.654 -0.669 2.997 1.00 0.35 N ATOM 290 CA THR A 18 -14.101 -1.457 1.909 1.00 0.36 C ATOM 291 C THR A 18 -12.728 -0.935 1.525 1.00 0.33 C ATOM 292 O THR A 18 -11.825 -1.709 1.226 1.00 0.37 O ATOM 293 CB THR A 18 -15.010 -1.449 0.667 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.219 -0.105 0.225 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.348 -2.110 0.961 1.00 0.80 C ATOM 0 H THR A 18 -15.404 -0.033 2.725 1.00 0.35 H new ATOM 0 HA THR A 18 -14.024 -2.484 2.267 1.00 0.36 H new ATOM 0 HB THR A 18 -14.515 -2.018 -0.120 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.916 0.314 0.772 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.969 -2.089 0.065 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.184 -3.144 1.265 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.851 -1.571 1.764 1.00 0.80 H new ATOM 303 N ALA A 19 -12.574 0.384 1.558 1.00 0.29 N ATOM 304 CA ALA A 19 -11.309 1.013 1.206 1.00 0.29 C ATOM 305 C ALA A 19 -10.169 0.471 2.063 1.00 0.28 C ATOM 306 O ALA A 19 -9.109 0.129 1.549 1.00 0.32 O ATOM 307 CB ALA A 19 -11.412 2.521 1.345 1.00 0.31 C ATOM 0 H ALA A 19 -13.310 1.037 1.825 1.00 0.29 H new ATOM 0 HA ALA A 19 -11.089 0.773 0.166 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.458 2.977 1.078 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.191 2.895 0.681 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.660 2.775 2.375 1.00 0.31 H new ATOM 313 N PHE A 20 -10.403 0.378 3.367 1.00 0.25 N ATOM 314 CA PHE A 20 -9.408 -0.166 4.285 1.00 0.26 C ATOM 315 C PHE A 20 -9.273 -1.673 4.109 1.00 0.31 C ATOM 316 O PHE A 20 -8.160 -2.199 4.013 1.00 0.33 O ATOM 317 CB PHE A 20 -9.787 0.158 5.730 1.00 0.28 C ATOM 318 CG PHE A 20 -8.950 -0.560 6.752 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.670 -0.123 7.049 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.449 -1.668 7.423 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.903 -0.776 7.995 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.684 -2.326 8.367 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.410 -1.879 8.654 1.00 0.38 C ATOM 0 H PHE A 20 -11.272 0.672 3.813 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.448 0.296 4.056 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.694 1.232 5.888 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.835 -0.098 5.887 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.267 0.737 6.536 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.447 -2.020 7.205 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.907 -0.424 8.219 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.082 -3.189 8.880 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.811 -2.391 9.392 1.00 0.38 H new ATOM 333 N LYS A 21 -10.414 -2.358 4.077 1.00 0.35 N ATOM 334 CA LYS A 21 -10.440 -3.806 3.913 1.00 0.42 C ATOM 335 C LYS A 21 -9.639 -4.221 2.692 1.00 0.44 C ATOM 336 O LYS A 21 -8.747 -5.059 2.781 1.00 0.49 O ATOM 337 CB LYS A 21 -11.884 -4.296 3.773 1.00 0.49 C ATOM 338 CG LYS A 21 -12.014 -5.742 3.314 1.00 0.64 C ATOM 339 CD LYS A 21 -11.412 -6.714 4.316 1.00 1.24 C ATOM 340 CE LYS A 21 -11.608 -8.154 3.872 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.026 -8.413 2.527 1.00 2.39 N ATOM 0 H LYS A 21 -11.336 -1.929 4.163 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.991 -4.258 4.797 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.387 -4.185 4.733 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.406 -3.654 3.064 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.067 -5.982 3.164 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.519 -5.862 2.350 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.348 -6.508 4.432 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -11.873 -6.566 5.292 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.148 -8.822 4.600 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.673 -8.385 3.856 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -10.509 -9.315 2.540 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.789 -8.462 1.822 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -10.373 -7.643 2.277 1.00 2.39 H new ATOM 355 N THR A 22 -9.950 -3.611 1.565 1.00 0.43 N ATOM 356 CA THR A 22 -9.303 -3.941 0.319 1.00 0.48 C ATOM 357 C THR A 22 -7.822 -3.551 0.343 1.00 0.49 C ATOM 358 O THR A 22 -6.965 -4.386 0.079 1.00 0.68 O ATOM 359 CB THR A 22 -10.029 -3.260 -0.861 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.412 -3.644 -0.858 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.410 -3.640 -2.193 1.00 0.58 C ATOM 0 H THR A 22 -10.655 -2.877 1.491 1.00 0.43 H new ATOM 0 HA THR A 22 -9.359 -5.021 0.184 1.00 0.48 H new ATOM 0 HB THR A 22 -9.933 -2.181 -0.736 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.895 -3.120 -0.186 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.948 -3.141 -3.000 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.364 -3.332 -2.209 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.473 -4.720 -2.328 1.00 0.58 H new ATOM 369 N PHE A 23 -7.525 -2.306 0.718 1.00 0.37 N ATOM 370 CA PHE A 23 -6.155 -1.785 0.646 1.00 0.38 C ATOM 371 C PHE A 23 -5.194 -2.557 1.550 1.00 0.38 C ATOM 372 O PHE A 23 -4.040 -2.779 1.187 1.00 0.43 O ATOM 373 CB PHE A 23 -6.126 -0.293 1.017 1.00 0.37 C ATOM 374 CG PHE A 23 -4.788 0.366 0.804 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.395 0.769 -0.462 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.924 0.585 1.871 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.170 1.379 -0.662 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.700 1.193 1.674 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.312 1.574 0.417 1.00 0.48 C ATOM 0 H PHE A 23 -8.211 -1.640 1.074 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.821 -1.914 -0.384 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.876 0.232 0.426 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.411 -0.184 2.063 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -5.053 0.605 -1.303 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.213 0.276 2.865 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.880 1.703 -1.651 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.046 1.369 2.515 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.343 2.025 0.263 1.00 0.48 H new ATOM 389 N LEU A 24 -5.661 -2.972 2.718 1.00 0.35 N ATOM 390 CA LEU A 24 -4.767 -3.572 3.693 1.00 0.37 C ATOM 391 C LEU A 24 -5.000 -5.073 3.850 1.00 0.39 C ATOM 392 O LEU A 24 -4.069 -5.871 3.757 1.00 0.48 O ATOM 393 CB LEU A 24 -4.922 -2.881 5.045 1.00 0.40 C ATOM 394 CG LEU A 24 -3.729 -3.053 5.978 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.517 -2.336 5.406 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.056 -2.540 7.369 1.00 0.44 C ATOM 0 H LEU A 24 -6.636 -2.906 3.009 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.751 -3.435 3.322 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.088 -1.817 4.879 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.813 -3.269 5.538 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.498 -4.115 6.061 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.668 -2.463 6.078 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.273 -2.756 4.430 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.739 -1.274 5.299 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.191 -2.673 8.018 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.311 -1.482 7.316 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -4.901 -3.097 7.773 1.00 0.44 H new ATOM 408 N GLU A 25 -6.236 -5.459 4.110 1.00 0.40 N ATOM 409 CA GLU A 25 -6.550 -6.854 4.386 1.00 0.46 C ATOM 410 C GLU A 25 -6.647 -7.666 3.106 1.00 0.54 C ATOM 411 O GLU A 25 -6.369 -8.866 3.091 1.00 1.01 O ATOM 412 CB GLU A 25 -7.854 -6.935 5.162 1.00 0.51 C ATOM 413 CG GLU A 25 -7.783 -6.232 6.499 1.00 0.66 C ATOM 414 CD GLU A 25 -7.965 -7.190 7.652 1.00 0.91 C ATOM 415 OE1 GLU A 25 -7.002 -7.888 8.010 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.080 -7.225 8.217 1.00 1.18 O ATOM 0 H GLU A 25 -7.039 -4.830 4.136 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.742 -7.277 4.983 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.654 -6.495 4.567 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.113 -7.982 5.320 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.820 -5.729 6.594 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.551 -5.460 6.544 1.00 0.66 H new ATOM 423 N GLY A 26 -7.023 -6.999 2.038 1.00 0.37 N ATOM 424 CA GLY A 26 -7.204 -7.661 0.764 1.00 0.45 C ATOM 425 C GLY A 26 -6.026 -7.448 -0.152 1.00 0.48 C ATOM 426 O GLY A 26 -6.172 -7.444 -1.368 1.00 0.83 O ATOM 0 H GLY A 26 -7.210 -5.996 2.026 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.349 -8.729 0.927 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.109 -7.286 0.285 1.00 0.45 H new ATOM 430 N PHE A 27 -4.853 -7.302 0.447 1.00 0.42 N ATOM 431 CA PHE A 27 -3.623 -7.008 -0.279 1.00 0.44 C ATOM 432 C PHE A 27 -3.425 -7.935 -1.490 1.00 0.47 C ATOM 433 O PHE A 27 -3.112 -7.457 -2.577 1.00 0.53 O ATOM 434 CB PHE A 27 -2.429 -7.092 0.688 1.00 0.48 C ATOM 435 CG PHE A 27 -1.124 -6.642 0.100 1.00 0.49 C ATOM 436 CD1 PHE A 27 -0.928 -5.317 -0.250 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.092 -7.543 -0.096 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.277 -4.897 -0.785 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.112 -7.131 -0.632 1.00 0.74 C ATOM 440 CZ PHE A 27 1.290 -5.812 -0.999 1.00 0.71 C ATOM 0 H PHE A 27 -4.726 -7.384 1.456 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.695 -5.996 -0.678 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.646 -6.486 1.568 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.324 -8.122 1.029 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.725 -4.603 -0.104 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.230 -8.580 0.173 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.425 -3.857 -1.035 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.915 -7.841 -0.764 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.218 -5.496 -1.452 1.00 0.71 H new ATOM 450 N PRO A 28 -3.599 -9.268 -1.340 1.00 0.49 N ATOM 451 CA PRO A 28 -3.432 -10.202 -2.446 1.00 0.57 C ATOM 452 C PRO A 28 -4.742 -10.619 -3.127 1.00 0.59 C ATOM 453 O PRO A 28 -4.786 -11.641 -3.814 1.00 0.76 O ATOM 454 CB PRO A 28 -2.817 -11.385 -1.719 1.00 0.73 C ATOM 455 CG PRO A 28 -3.556 -11.431 -0.424 1.00 0.74 C ATOM 456 CD PRO A 28 -3.897 -9.999 -0.086 1.00 0.52 C ATOM 0 HA PRO A 28 -2.850 -9.779 -3.265 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.941 -12.309 -2.283 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.747 -11.247 -1.564 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.458 -12.036 -0.511 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.945 -11.881 0.358 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.943 -9.893 0.202 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.298 -9.629 0.746 1.00 0.52 H new ATOM 464 N GLU A 29 -5.810 -9.847 -2.951 1.00 0.54 N ATOM 465 CA GLU A 29 -7.091 -10.219 -3.549 1.00 0.67 C ATOM 466 C GLU A 29 -7.419 -9.346 -4.757 1.00 0.69 C ATOM 467 O GLU A 29 -8.434 -9.557 -5.427 1.00 0.85 O ATOM 468 CB GLU A 29 -8.237 -10.131 -2.532 1.00 0.85 C ATOM 469 CG GLU A 29 -8.716 -8.712 -2.260 1.00 0.90 C ATOM 470 CD GLU A 29 -10.025 -8.678 -1.500 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.997 -8.629 -0.255 1.00 1.21 O ATOM 472 OE2 GLU A 29 -11.094 -8.709 -2.144 1.00 1.49 O ATOM 0 H GLU A 29 -5.818 -8.980 -2.413 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.991 -11.254 -3.877 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.077 -10.724 -2.894 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.911 -10.580 -1.594 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.955 -8.178 -1.691 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.835 -8.184 -3.206 1.00 0.90 H new ATOM 479 N TRP A 30 -6.572 -8.362 -5.032 1.00 0.64 N ATOM 480 CA TRP A 30 -6.838 -7.436 -6.125 1.00 0.81 C ATOM 481 C TRP A 30 -6.437 -8.042 -7.471 1.00 0.66 C ATOM 482 O TRP A 30 -6.074 -9.212 -7.566 1.00 0.74 O ATOM 483 CB TRP A 30 -6.078 -6.117 -5.955 1.00 1.07 C ATOM 484 CG TRP A 30 -6.026 -5.568 -4.572 1.00 1.18 C ATOM 485 CD1 TRP A 30 -7.023 -5.556 -3.646 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.906 -4.911 -3.970 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.583 -4.948 -2.499 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.289 -4.543 -2.675 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.610 -4.607 -4.400 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.433 -3.883 -1.801 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.758 -3.952 -3.532 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.173 -3.597 -2.245 1.00 4.29 C ATOM 0 H TRP A 30 -5.707 -8.186 -4.521 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.910 -7.242 -6.104 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.056 -6.261 -6.306 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -6.536 -5.370 -6.604 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -8.012 -5.964 -3.793 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.133 -4.818 -1.650 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.282 -4.879 -5.392 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.752 -3.606 -0.807 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.755 -3.710 -3.853 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.484 -3.086 -1.589 1.00 4.29 H new ATOM 503 N TRP A 31 -6.490 -7.209 -8.500 1.00 0.55 N ATOM 504 CA TRP A 31 -6.113 -7.598 -9.856 1.00 0.57 C ATOM 505 C TRP A 31 -4.709 -7.092 -10.293 1.00 0.60 C ATOM 506 O TRP A 31 -4.100 -7.711 -11.163 1.00 0.74 O ATOM 507 CB TRP A 31 -7.158 -7.076 -10.843 1.00 0.74 C ATOM 508 CG TRP A 31 -8.560 -7.453 -10.469 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.525 -6.629 -9.959 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.146 -8.756 -10.557 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.676 -7.347 -9.727 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.467 -8.654 -10.088 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.681 -10.002 -10.992 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.328 -9.749 -10.040 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.535 -11.088 -10.942 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.845 -10.956 -10.471 1.00 2.78 C ATOM 0 H TRP A 31 -6.797 -6.239 -8.420 1.00 0.55 H new ATOM 0 HA TRP A 31 -6.068 -8.687 -9.859 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -7.083 -5.990 -10.901 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.936 -7.465 -11.837 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.402 -5.573 -9.767 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.544 -6.969 -9.348 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.672 -10.113 -11.361 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.340 -9.649 -9.676 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.184 -12.055 -11.272 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.489 -11.823 -10.447 1.00 2.78 H new ATOM 527 N PRO A 32 -4.170 -5.959 -9.743 1.00 0.71 N ATOM 528 CA PRO A 32 -2.908 -5.378 -10.235 1.00 0.84 C ATOM 529 C PRO A 32 -1.649 -6.180 -9.858 1.00 0.85 C ATOM 530 O PRO A 32 -1.657 -7.409 -9.822 1.00 1.36 O ATOM 531 CB PRO A 32 -2.882 -3.993 -9.575 1.00 1.01 C ATOM 532 CG PRO A 32 -3.664 -4.156 -8.323 1.00 0.92 C ATOM 533 CD PRO A 32 -4.734 -5.149 -8.643 1.00 0.87 C ATOM 0 HA PRO A 32 -2.885 -5.364 -11.325 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.861 -3.674 -9.365 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.326 -3.237 -10.223 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -3.031 -4.510 -7.509 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.093 -3.207 -8.003 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.974 -5.767 -7.778 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.657 -4.654 -8.947 1.00 0.87 H new ATOM 541 N ASN A 33 -0.574 -5.448 -9.567 1.00 0.53 N ATOM 542 CA ASN A 33 0.776 -6.009 -9.398 1.00 0.57 C ATOM 543 C ASN A 33 0.866 -7.057 -8.280 1.00 0.67 C ATOM 544 O ASN A 33 1.833 -7.810 -8.213 1.00 0.72 O ATOM 545 CB ASN A 33 1.749 -4.856 -9.113 1.00 0.60 C ATOM 546 CG ASN A 33 3.214 -5.255 -9.194 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.811 -5.594 -8.060 1.00 1.51 O flip ATOM 548 ND2 ASN A 33 3.808 -5.235 -10.270 1.00 0.76 N flip ATOM 0 H ASN A 33 -0.611 -4.437 -9.440 1.00 0.53 H new ATOM 0 HA ASN A 33 1.036 -6.528 -10.321 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.562 -4.051 -9.823 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.545 -4.458 -8.119 1.00 0.60 H new ATOM 0 HD21 ASN A 33 3.313 -4.968 -11.121 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.796 -5.485 -10.312 1.00 0.76 H new ATOM 555 N ASN A 34 -0.145 -7.118 -7.424 1.00 0.85 N ATOM 556 CA ASN A 34 -0.109 -7.998 -6.249 1.00 1.03 C ATOM 557 C ASN A 34 -0.355 -9.459 -6.622 1.00 1.40 C ATOM 558 O ASN A 34 -0.176 -10.351 -5.794 1.00 1.74 O ATOM 559 CB ASN A 34 -1.160 -7.569 -5.221 1.00 1.07 C ATOM 560 CG ASN A 34 -2.569 -7.921 -5.665 1.00 1.16 C ATOM 561 OD1 ASN A 34 -3.198 -7.020 -6.394 1.00 1.79 O flip ATOM 562 ND2 ASN A 34 -3.089 -8.987 -5.352 1.00 1.47 N flip ATOM 0 H ASN A 34 -1.002 -6.572 -7.515 1.00 0.85 H new ATOM 0 HA ASN A 34 0.890 -7.910 -5.822 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -0.950 -8.051 -4.266 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.090 -6.494 -5.058 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -2.572 -9.660 -4.787 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -4.039 -9.200 -5.657 1.00 1.47 H new ATOM 569 N PHE A 35 -0.775 -9.704 -7.856 1.00 1.51 N ATOM 570 CA PHE A 35 -1.118 -11.056 -8.282 1.00 1.98 C ATOM 571 C PHE A 35 0.148 -11.865 -8.578 1.00 2.03 C ATOM 572 O PHE A 35 0.456 -12.168 -9.732 1.00 2.51 O ATOM 573 CB PHE A 35 -2.030 -11.004 -9.513 1.00 2.40 C ATOM 574 CG PHE A 35 -2.851 -12.247 -9.715 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.397 -13.257 -10.547 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.069 -12.411 -9.072 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.141 -14.407 -10.736 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.817 -13.558 -9.259 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.386 -14.535 -10.087 1.00 4.45 C ATOM 0 H PHE A 35 -0.886 -8.990 -8.576 1.00 1.51 H new ATOM 0 HA PHE A 35 -1.654 -11.553 -7.473 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.700 -10.149 -9.421 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.418 -10.836 -10.399 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.450 -13.145 -11.054 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.437 -11.634 -8.418 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -2.773 -15.198 -11.373 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.756 -13.675 -8.738 1.00 4.27 H new ATOM 0 HZ PHE A 35 -4.994 -15.412 -10.251 1.00 4.45 H new ATOM 589 N ARG A 36 0.890 -12.179 -7.521 1.00 1.65 N ATOM 590 CA ARG A 36 2.145 -12.912 -7.628 1.00 1.75 C ATOM 591 C ARG A 36 2.377 -13.762 -6.383 1.00 1.59 C ATOM 592 O ARG A 36 1.930 -13.413 -5.292 1.00 1.48 O ATOM 593 CB ARG A 36 3.321 -11.944 -7.795 1.00 1.73 C ATOM 594 CG ARG A 36 3.417 -11.288 -9.163 1.00 1.84 C ATOM 595 CD ARG A 36 3.621 -12.322 -10.256 1.00 2.25 C ATOM 596 NE ARG A 36 4.075 -11.718 -11.505 1.00 2.72 N ATOM 597 CZ ARG A 36 4.537 -12.410 -12.543 1.00 3.34 C ATOM 598 NH1 ARG A 36 4.570 -13.737 -12.501 1.00 3.59 N ATOM 599 NH2 ARG A 36 4.954 -11.775 -13.629 1.00 4.14 N ATOM 0 H ARG A 36 0.637 -11.931 -6.564 1.00 1.65 H new ATOM 0 HA ARG A 36 2.080 -13.559 -8.503 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.241 -11.164 -7.038 1.00 1.73 H new ATOM 0 HB3 ARG A 36 4.248 -12.483 -7.600 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.508 -10.720 -9.361 1.00 1.84 H new ATOM 0 HG3 ARG A 36 4.244 -10.578 -9.171 1.00 1.84 H new ATOM 0 HD2 ARG A 36 4.351 -13.060 -9.924 1.00 2.25 H new ATOM 0 HD3 ARG A 36 2.686 -12.854 -10.430 1.00 2.25 H new ATOM 0 HE ARG A 36 4.036 -10.702 -11.587 1.00 2.72 H new ATOM 0 HH11 ARG A 36 4.240 -14.229 -11.671 1.00 3.59 H new ATOM 0 HH12 ARG A 36 4.925 -14.264 -13.299 1.00 3.59 H new ATOM 0 HH21 ARG A 36 4.921 -10.756 -13.669 1.00 4.14 H new ATOM 0 HH22 ARG A 36 5.308 -12.305 -14.425 1.00 4.14 H new ATOM 613 N THR A 37 3.084 -14.872 -6.540 1.00 1.75 N ATOM 614 CA THR A 37 3.432 -15.702 -5.401 1.00 1.72 C ATOM 615 C THR A 37 4.741 -15.230 -4.781 1.00 1.37 C ATOM 616 O THR A 37 5.754 -15.133 -5.472 1.00 1.37 O ATOM 617 CB THR A 37 3.586 -17.182 -5.790 1.00 2.19 C ATOM 618 OG1 THR A 37 2.501 -17.590 -6.635 1.00 2.53 O ATOM 619 CG2 THR A 37 3.620 -18.058 -4.547 1.00 2.68 C ATOM 0 H THR A 37 3.425 -15.215 -7.438 1.00 1.75 H new ATOM 0 HA THR A 37 2.615 -15.610 -4.685 1.00 1.72 H new ATOM 0 HB THR A 37 4.525 -17.297 -6.332 1.00 2.19 H new ATOM 0 HG1 THR A 37 2.612 -18.533 -6.877 1.00 2.53 H new ATOM 0 HG21 THR A 37 3.729 -19.102 -4.841 1.00 2.68 H new ATOM 0 HG22 THR A 37 4.463 -17.767 -3.920 1.00 2.68 H new ATOM 0 HG23 THR A 37 2.692 -17.933 -3.989 1.00 2.68 H new ATOM 627 N THR A 38 4.691 -14.899 -3.491 1.00 1.24 N ATOM 628 CA THR A 38 5.880 -14.579 -2.686 1.00 1.07 C ATOM 629 C THR A 38 6.711 -13.432 -3.263 1.00 1.09 C ATOM 630 O THR A 38 7.866 -13.231 -2.888 1.00 1.38 O ATOM 631 CB THR A 38 6.768 -15.822 -2.473 1.00 1.16 C ATOM 632 OG1 THR A 38 7.189 -16.388 -3.720 1.00 1.42 O ATOM 633 CG2 THR A 38 6.006 -16.865 -1.689 1.00 1.37 C ATOM 0 H THR A 38 3.818 -14.844 -2.966 1.00 1.24 H new ATOM 0 HA THR A 38 5.499 -14.244 -1.721 1.00 1.07 H new ATOM 0 HB THR A 38 7.654 -15.507 -1.921 1.00 1.16 H new ATOM 0 HG1 THR A 38 7.024 -15.747 -4.443 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.637 -17.741 -1.541 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.721 -16.455 -0.720 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.110 -17.152 -2.240 1.00 1.37 H new ATOM 641 N LYS A 39 6.110 -12.686 -4.167 1.00 0.96 N ATOM 642 CA LYS A 39 6.716 -11.475 -4.693 1.00 1.09 C ATOM 643 C LYS A 39 6.033 -10.293 -4.038 1.00 1.22 C ATOM 644 O LYS A 39 6.674 -9.353 -3.573 1.00 1.97 O ATOM 645 CB LYS A 39 6.546 -11.405 -6.211 1.00 1.15 C ATOM 646 CG LYS A 39 7.286 -10.244 -6.857 1.00 1.49 C ATOM 647 CD LYS A 39 6.883 -10.054 -8.313 1.00 1.66 C ATOM 648 CE LYS A 39 7.114 -11.311 -9.139 1.00 2.28 C ATOM 649 NZ LYS A 39 8.547 -11.704 -9.185 1.00 2.90 N ATOM 0 H LYS A 39 5.192 -12.899 -4.558 1.00 0.96 H new ATOM 0 HA LYS A 39 7.784 -11.467 -4.477 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.898 -12.338 -6.650 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.485 -11.323 -6.445 1.00 1.15 H new ATOM 0 HG2 LYS A 39 7.082 -9.329 -6.301 1.00 1.49 H new ATOM 0 HG3 LYS A 39 8.360 -10.420 -6.797 1.00 1.49 H new ATOM 0 HD2 LYS A 39 5.830 -9.775 -8.364 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.452 -9.229 -8.742 1.00 1.66 H new ATOM 0 HE2 LYS A 39 6.529 -12.130 -8.721 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.752 -11.147 -10.154 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 8.664 -12.514 -9.827 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 9.115 -10.904 -9.529 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 8.865 -11.969 -8.231 1.00 2.90 H new ATOM 663 N VAL A 40 4.709 -10.374 -4.036 1.00 1.04 N ATOM 664 CA VAL A 40 3.846 -9.454 -3.318 1.00 1.22 C ATOM 665 C VAL A 40 2.520 -10.147 -3.044 1.00 1.42 C ATOM 666 O VAL A 40 1.945 -10.763 -3.938 1.00 1.83 O ATOM 667 CB VAL A 40 3.579 -8.141 -4.091 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.675 -7.121 -3.821 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.458 -8.407 -5.584 1.00 1.40 C ATOM 0 H VAL A 40 4.198 -11.096 -4.544 1.00 1.04 H new ATOM 0 HA VAL A 40 4.356 -9.181 -2.394 1.00 1.22 H new ATOM 0 HB VAL A 40 2.633 -7.730 -3.737 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.465 -6.206 -4.375 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.711 -6.899 -2.754 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.636 -7.526 -4.139 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.270 -7.469 -6.107 1.00 1.40 H new ATOM 0 HG22 VAL A 40 4.385 -8.848 -5.951 1.00 1.40 H new ATOM 0 HG23 VAL A 40 2.632 -9.095 -5.765 1.00 1.40 H new ATOM 679 N GLY A 41 2.072 -10.101 -1.805 1.00 1.42 N ATOM 680 CA GLY A 41 0.775 -10.650 -1.471 1.00 1.82 C ATOM 681 C GLY A 41 0.849 -12.040 -0.871 1.00 1.67 C ATOM 682 O GLY A 41 0.653 -12.210 0.333 1.00 2.17 O ATOM 0 H GLY A 41 2.581 -9.693 -1.021 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.277 -9.984 -0.767 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.159 -10.682 -2.370 1.00 1.82 H new ATOM 686 N ALA A 42 1.165 -13.033 -1.703 1.00 1.12 N ATOM 687 CA ALA A 42 1.062 -14.441 -1.312 1.00 1.00 C ATOM 688 C ALA A 42 -0.332 -14.715 -0.703 1.00 1.01 C ATOM 689 O ALA A 42 -1.248 -13.924 -0.911 1.00 1.09 O ATOM 690 CB ALA A 42 2.198 -14.779 -0.355 1.00 0.80 C ATOM 0 H ALA A 42 1.496 -12.888 -2.657 1.00 1.12 H new ATOM 0 HA ALA A 42 1.161 -15.089 -2.183 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.126 -15.826 -0.061 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.154 -14.606 -0.849 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.128 -14.147 0.531 1.00 0.80 H new ATOM 696 N PRO A 43 -0.566 -15.839 0.006 1.00 1.05 N ATOM 697 CA PRO A 43 -1.826 -16.031 0.742 1.00 1.15 C ATOM 698 C PRO A 43 -1.969 -15.115 1.972 1.00 1.08 C ATOM 699 O PRO A 43 -2.822 -15.356 2.827 1.00 1.40 O ATOM 700 CB PRO A 43 -1.770 -17.499 1.189 1.00 1.29 C ATOM 701 CG PRO A 43 -0.713 -18.130 0.353 1.00 1.48 C ATOM 702 CD PRO A 43 0.280 -17.046 0.077 1.00 1.11 C ATOM 0 HA PRO A 43 -2.681 -15.784 0.112 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.530 -17.577 2.249 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.732 -17.991 1.042 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.247 -18.965 0.875 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.130 -18.526 -0.573 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.027 -16.971 0.867 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.818 -17.218 -0.855 1.00 1.11 H new ATOM 710 N LEU A 44 -1.160 -14.060 2.063 1.00 0.87 N ATOM 711 CA LEU A 44 -1.204 -13.183 3.230 1.00 0.85 C ATOM 712 C LEU A 44 -1.342 -11.710 2.837 1.00 0.81 C ATOM 713 O LEU A 44 -2.457 -11.209 2.674 1.00 1.24 O ATOM 714 CB LEU A 44 0.033 -13.393 4.104 1.00 0.95 C ATOM 715 CG LEU A 44 0.131 -12.477 5.323 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.091 -12.631 6.217 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.399 -12.777 6.099 1.00 1.66 C ATOM 0 H LEU A 44 -0.476 -13.795 1.354 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.092 -13.449 3.804 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.046 -14.428 4.445 1.00 0.95 H new ATOM 0 HB3 LEU A 44 0.921 -13.249 3.489 1.00 0.95 H new ATOM 0 HG LEU A 44 0.167 -11.444 4.977 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.998 -11.969 7.078 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.988 -12.371 5.655 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.164 -13.663 6.559 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.459 -12.119 6.966 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.385 -13.815 6.432 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.265 -12.613 5.458 1.00 1.66 H new ATOM 729 N GLY A 45 -0.219 -11.012 2.691 1.00 0.61 N ATOM 730 CA GLY A 45 -0.266 -9.625 2.295 1.00 0.75 C ATOM 731 C GLY A 45 0.128 -8.675 3.407 1.00 0.61 C ATOM 732 O GLY A 45 1.221 -8.116 3.397 1.00 0.61 O ATOM 0 H GLY A 45 0.718 -11.386 2.841 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.398 -9.474 1.444 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.274 -9.383 1.959 1.00 0.75 H new ATOM 736 N VAL A 46 -0.766 -8.483 4.366 1.00 0.54 N ATOM 737 CA VAL A 46 -0.535 -7.543 5.458 1.00 0.45 C ATOM 738 C VAL A 46 -1.050 -8.110 6.780 1.00 0.47 C ATOM 739 O VAL A 46 -2.164 -8.639 6.844 1.00 0.60 O ATOM 740 CB VAL A 46 -1.228 -6.185 5.197 1.00 0.47 C ATOM 741 CG1 VAL A 46 -0.956 -5.223 6.337 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.781 -5.580 3.873 1.00 0.49 C ATOM 0 H VAL A 46 -1.663 -8.967 4.412 1.00 0.54 H new ATOM 0 HA VAL A 46 0.542 -7.386 5.517 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.302 -6.364 5.137 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.451 -4.273 6.137 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.339 -5.643 7.267 1.00 0.52 H new ATOM 0 HG13 VAL A 46 0.118 -5.061 6.428 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.286 -4.626 3.720 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.297 -5.420 3.891 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.033 -6.259 3.059 1.00 0.49 H new ATOM 752 N ASP A 47 -0.253 -7.968 7.835 1.00 0.41 N ATOM 753 CA ASP A 47 -0.602 -8.497 9.149 1.00 0.49 C ATOM 754 C ASP A 47 -1.069 -7.375 10.066 1.00 0.52 C ATOM 755 O ASP A 47 -0.371 -6.369 10.231 1.00 0.57 O ATOM 756 CB ASP A 47 0.600 -9.200 9.773 1.00 0.58 C ATOM 757 CG ASP A 47 0.249 -9.927 11.054 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.111 -11.162 11.017 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.102 -9.263 12.096 1.00 0.95 O ATOM 0 H ASP A 47 0.646 -7.487 7.804 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.412 -9.216 9.025 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.012 -9.911 9.057 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.379 -8.466 9.978 1.00 0.58 H new ATOM 764 N LYS A 48 -2.256 -7.550 10.646 1.00 0.63 N ATOM 765 CA LYS A 48 -2.878 -6.523 11.485 1.00 0.79 C ATOM 766 C LYS A 48 -2.322 -6.535 12.910 1.00 0.85 C ATOM 767 O LYS A 48 -2.377 -5.530 13.616 1.00 1.06 O ATOM 768 CB LYS A 48 -4.395 -6.730 11.551 1.00 1.01 C ATOM 769 CG LYS A 48 -5.073 -6.906 10.200 1.00 1.38 C ATOM 770 CD LYS A 48 -4.825 -5.731 9.267 1.00 1.34 C ATOM 771 CE LYS A 48 -3.940 -6.133 8.097 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.552 -7.215 7.276 1.00 2.81 N ATOM 0 H LYS A 48 -2.811 -8.400 10.550 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.648 -5.561 11.027 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.602 -7.608 12.163 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.843 -5.875 12.058 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.710 -7.821 9.731 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -6.146 -7.028 10.349 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -5.777 -5.353 8.893 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -4.354 -4.918 9.820 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -3.754 -5.262 7.468 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -2.973 -6.467 8.473 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.060 -8.112 7.461 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -5.557 -7.314 7.525 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -4.467 -6.976 6.267 1.00 2.81 H new ATOM 786 N LYS A 49 -1.797 -7.678 13.325 1.00 0.80 N ATOM 787 CA LYS A 49 -1.390 -7.887 14.701 1.00 0.97 C ATOM 788 C LYS A 49 0.006 -7.333 14.942 1.00 1.14 C ATOM 789 O LYS A 49 0.208 -6.469 15.795 1.00 1.32 O ATOM 790 CB LYS A 49 -1.431 -9.381 15.008 1.00 1.08 C ATOM 791 CG LYS A 49 -0.663 -9.773 16.250 1.00 1.35 C ATOM 792 CD LYS A 49 -0.545 -11.279 16.362 1.00 1.66 C ATOM 793 CE LYS A 49 0.432 -11.668 17.447 1.00 2.40 C ATOM 794 NZ LYS A 49 0.703 -13.130 17.456 1.00 3.17 N ATOM 0 H LYS A 49 -1.643 -8.483 12.718 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.076 -7.358 15.363 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.470 -9.690 15.123 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.028 -9.928 14.156 1.00 1.08 H new ATOM 0 HG2 LYS A 49 0.332 -9.328 16.223 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -1.165 -9.377 17.133 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.523 -11.709 16.578 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -0.218 -11.693 15.408 1.00 1.66 H new ATOM 0 HE2 LYS A 49 1.367 -11.127 17.303 1.00 2.40 H new ATOM 0 HE3 LYS A 49 0.035 -11.367 18.417 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 1.378 -13.353 18.215 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.185 -13.647 17.619 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 1.106 -13.414 16.540 1.00 3.17 H new ATOM 808 N GLY A 50 0.965 -7.843 14.186 1.00 1.22 N ATOM 809 CA GLY A 50 2.326 -7.376 14.310 1.00 1.53 C ATOM 810 C GLY A 50 2.522 -6.052 13.614 1.00 1.14 C ATOM 811 O GLY A 50 3.453 -5.307 13.921 1.00 1.29 O ATOM 0 H GLY A 50 0.823 -8.573 13.488 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.583 -7.275 15.365 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.005 -8.115 13.886 1.00 1.53 H new ATOM 815 N GLY A 51 1.645 -5.769 12.661 1.00 0.77 N ATOM 816 CA GLY A 51 1.688 -4.505 11.966 1.00 0.65 C ATOM 817 C GLY A 51 2.773 -4.481 10.919 1.00 0.56 C ATOM 818 O GLY A 51 3.717 -3.699 11.010 1.00 0.60 O ATOM 0 H GLY A 51 0.902 -6.398 12.358 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.723 -4.316 11.495 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.856 -3.701 12.683 1.00 0.65 H new ATOM 822 N ARG A 52 2.648 -5.341 9.918 1.00 0.51 N ATOM 823 CA ARG A 52 3.654 -5.400 8.871 1.00 0.53 C ATOM 824 C ARG A 52 3.081 -5.976 7.581 1.00 0.50 C ATOM 825 O ARG A 52 2.226 -6.862 7.607 1.00 0.60 O ATOM 826 CB ARG A 52 4.876 -6.214 9.329 1.00 0.68 C ATOM 827 CG ARG A 52 4.619 -7.704 9.512 1.00 1.04 C ATOM 828 CD ARG A 52 4.062 -8.029 10.890 1.00 1.42 C ATOM 829 NE ARG A 52 3.629 -9.425 10.980 1.00 2.14 N ATOM 830 CZ ARG A 52 3.738 -10.185 12.072 1.00 2.80 C ATOM 831 NH1 ARG A 52 4.327 -9.716 13.162 1.00 2.98 N ATOM 832 NH2 ARG A 52 3.274 -11.430 12.063 1.00 3.72 N ATOM 0 H ARG A 52 1.874 -5.996 9.810 1.00 0.51 H new ATOM 0 HA ARG A 52 3.977 -4.379 8.668 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.675 -6.084 8.599 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.236 -5.803 10.272 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.919 -8.046 8.750 1.00 1.04 H new ATOM 0 HG3 ARG A 52 5.549 -8.252 9.360 1.00 1.04 H new ATOM 0 HD2 ARG A 52 4.823 -7.834 11.646 1.00 1.42 H new ATOM 0 HD3 ARG A 52 3.220 -7.371 11.107 1.00 1.42 H new ATOM 0 HE ARG A 52 3.215 -9.847 10.149 1.00 2.14 H new ATOM 0 HH11 ARG A 52 4.702 -8.767 13.171 1.00 2.98 H new ATOM 0 HH12 ARG A 52 4.406 -10.304 13.992 1.00 2.98 H new ATOM 0 HH21 ARG A 52 2.835 -11.805 11.222 1.00 3.72 H new ATOM 0 HH22 ARG A 52 3.357 -12.011 12.897 1.00 3.72 H new ATOM 846 N TRP A 53 3.542 -5.443 6.456 1.00 0.52 N ATOM 847 CA TRP A 53 3.175 -5.965 5.143 1.00 0.53 C ATOM 848 C TRP A 53 4.142 -7.074 4.772 1.00 0.57 C ATOM 849 O TRP A 53 5.330 -6.813 4.595 1.00 0.73 O ATOM 850 CB TRP A 53 3.255 -4.878 4.058 1.00 0.65 C ATOM 851 CG TRP A 53 2.319 -3.716 4.235 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.895 -3.162 5.403 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.711 -2.946 3.190 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.052 -2.109 5.153 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.922 -1.956 3.801 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.754 -3.005 1.795 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.185 -1.030 3.067 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.023 -2.087 1.067 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.246 -1.112 1.703 1.00 1.28 C ATOM 0 H TRP A 53 4.175 -4.644 6.426 1.00 0.52 H new ATOM 0 HA TRP A 53 2.149 -6.329 5.198 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.276 -4.498 4.024 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.055 -5.339 3.091 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.181 -3.503 6.387 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.596 -1.534 5.861 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.348 -3.755 1.295 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.413 -0.275 3.557 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.051 -2.122 -0.012 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.317 -0.410 1.105 1.00 1.28 H new ATOM 870 N TYR A 54 3.660 -8.298 4.669 1.00 0.49 N ATOM 871 CA TYR A 54 4.530 -9.402 4.309 1.00 0.58 C ATOM 872 C TYR A 54 3.727 -10.608 3.837 1.00 0.49 C ATOM 873 O TYR A 54 2.499 -10.645 3.945 1.00 0.52 O ATOM 874 CB TYR A 54 5.454 -9.776 5.475 1.00 0.75 C ATOM 875 CG TYR A 54 4.828 -10.639 6.547 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.272 -11.928 6.804 1.00 0.73 C ATOM 877 CD2 TYR A 54 3.764 -10.157 7.285 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.665 -12.707 7.771 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.153 -10.921 8.253 1.00 0.95 C ATOM 880 CZ TYR A 54 3.753 -12.249 8.539 1.00 1.20 C ATOM 881 OH TYR A 54 2.997 -12.971 9.457 1.00 1.66 O ATOM 0 H TYR A 54 2.685 -8.551 4.827 1.00 0.49 H new ATOM 0 HA TYR A 54 5.154 -9.075 3.477 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.324 -10.297 5.075 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.817 -8.858 5.937 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.103 -12.328 6.241 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.403 -9.156 7.098 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.972 -13.737 7.881 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.278 -10.571 8.780 1.00 0.95 H new ATOM 0 HH TYR A 54 3.524 -13.727 9.792 1.00 1.66 H new ATOM 891 N GLU A 55 4.434 -11.590 3.321 1.00 0.52 N ATOM 892 CA GLU A 55 3.819 -12.732 2.671 1.00 0.56 C ATOM 893 C GLU A 55 4.382 -13.993 3.293 1.00 0.62 C ATOM 894 O GLU A 55 5.122 -13.901 4.255 1.00 0.81 O ATOM 895 CB GLU A 55 4.083 -12.670 1.161 1.00 0.73 C ATOM 896 CG GLU A 55 3.752 -11.316 0.569 1.00 0.81 C ATOM 897 CD GLU A 55 4.965 -10.429 0.393 1.00 1.51 C ATOM 898 OE1 GLU A 55 5.030 -9.714 -0.622 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.851 -10.439 1.273 1.00 2.12 O ATOM 0 H GLU A 55 5.453 -11.621 3.339 1.00 0.52 H new ATOM 0 HA GLU A 55 2.738 -12.726 2.811 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.131 -12.900 0.969 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.491 -13.436 0.660 1.00 0.73 H new ATOM 0 HG2 GLU A 55 3.270 -11.458 -0.398 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.032 -10.812 1.213 1.00 0.81 H new ATOM 906 N ILE A 56 3.970 -15.160 2.846 1.00 0.63 N ATOM 907 CA ILE A 56 4.617 -16.380 3.312 1.00 0.68 C ATOM 908 C ILE A 56 5.327 -17.082 2.166 1.00 0.70 C ATOM 909 O ILE A 56 4.688 -17.707 1.322 1.00 0.80 O ATOM 910 CB ILE A 56 3.631 -17.364 3.982 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.917 -16.690 5.160 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.374 -18.616 4.453 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.855 -16.198 6.241 1.00 0.90 C ATOM 0 H ILE A 56 3.211 -15.296 2.178 1.00 0.63 H new ATOM 0 HA ILE A 56 5.341 -16.072 4.066 1.00 0.68 H new ATOM 0 HB ILE A 56 2.880 -17.658 3.249 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.335 -15.848 4.786 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.212 -17.396 5.598 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.669 -19.302 4.923 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.841 -19.105 3.598 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.142 -18.334 5.174 1.00 0.92 H new ATOM 0 HD11 ILE A 56 3.277 -15.733 7.040 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.420 -17.039 6.643 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.544 -15.467 5.819 1.00 0.90 H new ATOM 925 N ASP A 57 6.645 -16.953 2.122 1.00 0.65 N ATOM 926 CA ASP A 57 7.442 -17.673 1.144 1.00 0.72 C ATOM 927 C ASP A 57 7.877 -19.012 1.707 1.00 0.76 C ATOM 928 O ASP A 57 8.260 -19.124 2.876 1.00 0.96 O ATOM 929 CB ASP A 57 8.647 -16.856 0.666 1.00 0.84 C ATOM 930 CG ASP A 57 9.454 -16.244 1.779 1.00 1.35 C ATOM 931 OD1 ASP A 57 10.639 -15.934 1.572 1.00 1.71 O ATOM 932 OD2 ASP A 57 8.902 -16.073 2.875 1.00 1.97 O ATOM 0 H ASP A 57 7.183 -16.357 2.752 1.00 0.65 H new ATOM 0 HA ASP A 57 6.816 -17.847 0.269 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.296 -17.499 0.072 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.296 -16.062 0.007 1.00 0.84 H new ATOM 937 N GLU A 58 7.836 -20.022 0.857 1.00 0.87 N ATOM 938 CA GLU A 58 7.887 -21.402 1.300 1.00 1.01 C ATOM 939 C GLU A 58 9.286 -21.873 1.674 1.00 1.04 C ATOM 940 O GLU A 58 9.446 -22.990 2.167 1.00 1.17 O ATOM 941 CB GLU A 58 7.275 -22.310 0.230 1.00 1.35 C ATOM 942 CG GLU A 58 7.864 -22.111 -1.158 1.00 1.54 C ATOM 943 CD GLU A 58 7.116 -22.890 -2.221 1.00 2.04 C ATOM 944 OE1 GLU A 58 5.976 -22.510 -2.551 1.00 2.43 O ATOM 945 OE2 GLU A 58 7.669 -23.884 -2.737 1.00 2.21 O ATOM 0 H GLU A 58 7.767 -19.909 -0.154 1.00 0.87 H new ATOM 0 HA GLU A 58 7.302 -21.461 2.218 1.00 1.01 H new ATOM 0 HB2 GLU A 58 7.414 -23.350 0.527 1.00 1.35 H new ATOM 0 HB3 GLU A 58 6.201 -22.131 0.187 1.00 1.35 H new ATOM 0 HG2 GLU A 58 7.846 -21.050 -1.409 1.00 1.54 H new ATOM 0 HG3 GLU A 58 8.909 -22.420 -1.154 1.00 1.54 H new ATOM 952 N GLN A 59 10.300 -21.043 1.465 1.00 1.10 N ATOM 953 CA GLN A 59 11.633 -21.399 1.935 1.00 1.36 C ATOM 954 C GLN A 59 11.757 -21.157 3.441 1.00 1.39 C ATOM 955 O GLN A 59 12.766 -21.499 4.056 1.00 1.70 O ATOM 956 CB GLN A 59 12.746 -20.680 1.144 1.00 1.60 C ATOM 957 CG GLN A 59 12.617 -19.165 1.020 1.00 1.69 C ATOM 958 CD GLN A 59 12.718 -18.441 2.345 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.575 -18.132 2.921 1.00 2.39 O flip ATOM 960 NE2 GLN A 59 13.809 -18.132 2.819 1.00 1.40 N flip ATOM 0 H GLN A 59 10.231 -20.144 0.988 1.00 1.10 H new ATOM 0 HA GLN A 59 11.771 -22.465 1.752 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.702 -20.904 1.618 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.781 -21.104 0.140 1.00 1.60 H new ATOM 0 HG2 GLN A 59 13.395 -18.795 0.353 1.00 1.69 H new ATOM 0 HG3 GLN A 59 11.660 -18.926 0.556 1.00 1.69 H new ATOM 0 HE21 GLN A 59 14.668 -18.394 2.335 1.00 1.40 H new ATOM 0 HE22 GLN A 59 13.856 -17.613 3.696 1.00 1.40 H new ATOM 969 N GLY A 60 10.718 -20.562 4.030 1.00 1.19 N ATOM 970 CA GLY A 60 10.690 -20.360 5.468 1.00 1.39 C ATOM 971 C GLY A 60 10.675 -18.895 5.870 1.00 1.45 C ATOM 972 O GLY A 60 11.473 -18.472 6.706 1.00 2.29 O ATOM 0 H GLY A 60 9.896 -20.217 3.534 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.808 -20.851 5.880 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.560 -20.842 5.912 1.00 1.39 H new ATOM 976 N GLU A 61 9.779 -18.127 5.252 1.00 1.11 N ATOM 977 CA GLU A 61 9.520 -16.733 5.634 1.00 1.15 C ATOM 978 C GLU A 61 10.744 -15.817 5.519 1.00 1.26 C ATOM 979 O GLU A 61 11.366 -15.474 6.525 1.00 1.72 O ATOM 980 CB GLU A 61 8.960 -16.657 7.058 1.00 1.33 C ATOM 981 CG GLU A 61 7.571 -17.255 7.205 1.00 1.38 C ATOM 982 CD GLU A 61 7.072 -17.200 8.633 1.00 1.69 C ATOM 983 OE1 GLU A 61 7.283 -18.185 9.374 1.00 1.77 O ATOM 984 OE2 GLU A 61 6.489 -16.165 9.024 1.00 2.31 O ATOM 0 H GLU A 61 9.209 -18.451 4.470 1.00 1.11 H new ATOM 0 HA GLU A 61 8.785 -16.368 4.917 1.00 1.15 H new ATOM 0 HB2 GLU A 61 9.641 -17.174 7.734 1.00 1.33 H new ATOM 0 HB3 GLU A 61 8.931 -15.613 7.371 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.876 -16.719 6.558 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.586 -18.291 6.867 1.00 1.38 H new ATOM 991 N GLU A 62 11.094 -15.419 4.299 1.00 1.06 N ATOM 992 CA GLU A 62 12.095 -14.374 4.112 1.00 1.20 C ATOM 993 C GLU A 62 11.582 -13.324 3.124 1.00 1.00 C ATOM 994 O GLU A 62 12.001 -13.268 1.965 1.00 1.08 O ATOM 995 CB GLU A 62 13.424 -14.961 3.636 1.00 1.54 C ATOM 996 CG GLU A 62 14.578 -13.981 3.735 1.00 1.98 C ATOM 997 CD GLU A 62 15.895 -14.577 3.290 1.00 2.16 C ATOM 998 OE1 GLU A 62 16.453 -15.416 4.031 1.00 2.61 O ATOM 999 OE2 GLU A 62 16.376 -14.220 2.193 1.00 2.56 O ATOM 0 H GLU A 62 10.705 -15.798 3.436 1.00 1.06 H new ATOM 0 HA GLU A 62 12.271 -13.893 5.074 1.00 1.20 H new ATOM 0 HB2 GLU A 62 13.656 -15.847 4.228 1.00 1.54 H new ATOM 0 HB3 GLU A 62 13.320 -15.287 2.601 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.357 -13.104 3.126 1.00 1.98 H new ATOM 0 HG3 GLU A 62 14.670 -13.638 4.766 1.00 1.98 H new ATOM 1006 N HIS A 63 10.653 -12.509 3.596 1.00 0.90 N ATOM 1007 CA HIS A 63 10.045 -11.449 2.803 1.00 0.85 C ATOM 1008 C HIS A 63 10.289 -10.097 3.454 1.00 0.92 C ATOM 1009 O HIS A 63 10.470 -10.019 4.671 1.00 1.22 O ATOM 1010 CB HIS A 63 8.544 -11.727 2.753 1.00 0.96 C ATOM 1011 CG HIS A 63 8.130 -12.517 3.950 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.259 -12.036 5.238 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.775 -13.808 4.068 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.009 -13.006 6.092 1.00 3.72 C ATOM 1015 NE2 HIS A 63 7.707 -14.094 5.411 1.00 3.37 N ATOM 0 H HIS A 63 10.295 -12.564 4.550 1.00 0.90 H new ATOM 0 HA HIS A 63 10.476 -11.427 1.802 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.993 -10.787 2.719 1.00 0.96 H new ATOM 0 HB3 HIS A 63 8.297 -12.274 1.843 1.00 0.96 H new ATOM 0 HD1 HIS A 63 8.509 -11.079 5.488 1.00 2.82 H new ATOM 0 HD2 HIS A 63 7.579 -14.494 3.257 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.045 -12.925 7.168 1.00 3.72 H new ATOM 1024 N THR A 64 10.284 -9.041 2.658 1.00 0.97 N ATOM 1025 CA THR A 64 10.354 -7.690 3.190 1.00 1.01 C ATOM 1026 C THR A 64 9.089 -7.406 4.010 1.00 1.50 C ATOM 1027 O THR A 64 8.030 -7.969 3.726 1.00 2.27 O ATOM 1028 CB THR A 64 10.489 -6.660 2.046 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.510 -6.923 1.035 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.876 -6.696 1.420 1.00 1.44 C ATOM 0 H THR A 64 10.232 -9.093 1.641 1.00 0.97 H new ATOM 0 HA THR A 64 11.232 -7.603 3.829 1.00 1.01 H new ATOM 0 HB THR A 64 10.330 -5.670 2.473 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.600 -6.266 0.314 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.933 -5.958 0.620 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.624 -6.467 2.179 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.066 -7.689 1.012 1.00 1.44 H new ATOM 1038 N PHE A 65 9.185 -6.572 5.036 1.00 1.66 N ATOM 1039 CA PHE A 65 8.014 -6.275 5.851 1.00 2.32 C ATOM 1040 C PHE A 65 7.739 -4.776 5.888 1.00 1.96 C ATOM 1041 O PHE A 65 8.629 -3.974 6.166 1.00 2.43 O ATOM 1042 CB PHE A 65 8.151 -6.854 7.270 1.00 3.26 C ATOM 1043 CG PHE A 65 9.234 -6.236 8.114 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.546 -6.674 8.018 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.935 -5.226 9.016 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.536 -6.115 8.803 1.00 6.10 C ATOM 1047 CE2 PHE A 65 9.920 -4.663 9.801 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.223 -5.107 9.696 1.00 6.48 C ATOM 0 H PHE A 65 10.042 -6.097 5.320 1.00 1.66 H new ATOM 0 HA PHE A 65 7.157 -6.760 5.385 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.198 -6.736 7.787 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.340 -7.925 7.191 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.797 -7.461 7.322 1.00 4.99 H new ATOM 0 HD2 PHE A 65 7.917 -4.875 9.105 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.554 -6.465 8.719 1.00 6.10 H new ATOM 0 HE2 PHE A 65 9.672 -3.875 10.497 1.00 5.77 H new ATOM 0 HZ PHE A 65 11.996 -4.668 10.310 1.00 6.48 H new ATOM 1058 N GLY A 66 6.507 -4.410 5.565 1.00 1.23 N ATOM 1059 CA GLY A 66 6.115 -3.020 5.571 1.00 0.93 C ATOM 1060 C GLY A 66 6.062 -2.478 6.973 1.00 0.80 C ATOM 1061 O GLY A 66 5.542 -3.137 7.874 1.00 0.96 O ATOM 0 H GLY A 66 5.768 -5.059 5.297 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.821 -2.437 4.979 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.138 -2.912 5.099 1.00 0.93 H new ATOM 1065 N LEU A 67 6.588 -1.287 7.162 1.00 0.64 N ATOM 1066 CA LEU A 67 6.711 -0.725 8.494 1.00 0.65 C ATOM 1067 C LEU A 67 5.408 -0.083 8.921 1.00 0.51 C ATOM 1068 O LEU A 67 5.205 1.109 8.718 1.00 0.54 O ATOM 1069 CB LEU A 67 7.817 0.332 8.544 1.00 0.76 C ATOM 1070 CG LEU A 67 9.252 -0.153 8.317 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.470 -0.579 6.876 1.00 1.17 C ATOM 1072 CD2 LEU A 67 10.226 0.946 8.692 1.00 1.14 C ATOM 0 H LEU A 67 6.937 -0.689 6.413 1.00 0.64 H new ATOM 0 HA LEU A 67 6.961 -1.541 9.171 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.594 1.092 7.795 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.775 0.821 9.517 1.00 0.76 H new ATOM 0 HG LEU A 67 9.424 -1.024 8.950 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.498 -0.918 6.748 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.787 -1.392 6.630 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.282 0.266 6.214 1.00 1.17 H new ATOM 0 HD21 LEU A 67 11.246 0.599 8.530 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.039 1.824 8.074 1.00 1.14 H new ATOM 0 HD23 LEU A 67 10.094 1.206 9.742 1.00 1.14 H new ATOM 1084 N ILE A 68 4.517 -0.850 9.511 1.00 0.43 N ATOM 1085 CA ILE A 68 3.274 -0.271 9.970 1.00 0.38 C ATOM 1086 C ILE A 68 3.448 0.264 11.376 1.00 0.45 C ATOM 1087 O ILE A 68 3.737 -0.477 12.314 1.00 0.61 O ATOM 1088 CB ILE A 68 2.090 -1.250 9.938 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.925 -1.868 8.550 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.818 -0.521 10.339 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.754 -2.828 8.457 1.00 0.44 C ATOM 0 H ILE A 68 4.624 -1.850 9.681 1.00 0.43 H new ATOM 0 HA ILE A 68 3.034 0.534 9.276 1.00 0.38 H new ATOM 0 HB ILE A 68 2.287 -2.057 10.644 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.792 -1.071 7.818 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.841 -2.396 8.283 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.022 -1.215 10.316 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.930 -0.120 11.346 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.632 0.296 9.642 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.693 -3.231 7.446 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.896 -3.644 9.165 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.170 -2.299 8.693 1.00 0.44 H new ATOM 1103 N ARG A 69 3.299 1.562 11.500 1.00 0.43 N ATOM 1104 CA ARG A 69 3.424 2.228 12.776 1.00 0.55 C ATOM 1105 C ARG A 69 2.070 2.734 13.247 1.00 0.51 C ATOM 1106 O ARG A 69 1.920 3.175 14.386 1.00 0.67 O ATOM 1107 CB ARG A 69 4.460 3.342 12.670 1.00 0.70 C ATOM 1108 CG ARG A 69 5.869 2.782 12.597 1.00 1.19 C ATOM 1109 CD ARG A 69 6.828 3.674 11.834 1.00 0.74 C ATOM 1110 NE ARG A 69 8.174 3.093 11.821 1.00 1.08 N ATOM 1111 CZ ARG A 69 9.292 3.783 11.597 1.00 1.35 C ATOM 1112 NH1 ARG A 69 9.235 5.061 11.254 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.471 3.178 11.687 1.00 1.83 N ATOM 0 H ARG A 69 3.088 2.186 10.721 1.00 0.43 H new ATOM 0 HA ARG A 69 3.773 1.522 13.530 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.260 3.944 11.784 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.374 4.004 13.532 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.247 2.635 13.609 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.839 1.801 12.122 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.474 3.807 10.812 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.857 4.662 12.293 1.00 0.74 H new ATOM 0 HE ARG A 69 8.261 2.092 11.995 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.331 5.524 11.160 1.00 2.00 H new ATOM 0 HH12 ARG A 69 10.095 5.582 11.084 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.519 2.188 11.927 1.00 1.83 H new ATOM 0 HH22 ARG A 69 11.328 3.704 11.516 1.00 1.83 H new ATOM 1127 N LYS A 70 1.087 2.684 12.354 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.287 2.985 12.725 1.00 0.41 C ATOM 1129 C LYS A 70 -1.273 2.128 11.943 1.00 0.35 C ATOM 1130 O LYS A 70 -1.418 2.285 10.731 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.611 4.466 12.506 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.097 4.783 12.630 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.383 6.261 12.424 1.00 0.99 C ATOM 1134 CE LYS A 70 -1.790 7.108 13.540 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.180 8.536 13.413 1.00 1.53 N ATOM 0 H LYS A 70 1.217 2.439 11.373 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.386 2.756 13.786 1.00 0.41 H new ATOM 0 HB2 LYS A 70 -0.058 5.063 13.231 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.264 4.764 11.517 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.654 4.200 11.897 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.452 4.479 13.615 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.973 6.581 11.466 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.460 6.421 12.379 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -2.123 6.724 14.504 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -0.703 7.025 13.522 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -1.757 9.082 14.191 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -1.840 8.909 12.504 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.216 8.618 13.456 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.924 1.202 12.637 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.083 0.513 12.086 1.00 0.36 C ATOM 1151 C VAL A 71 -4.330 1.124 12.702 1.00 0.37 C ATOM 1152 O VAL A 71 -4.768 0.708 13.775 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.087 -1.010 12.378 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.252 -1.689 11.667 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.772 -1.659 11.979 1.00 0.77 C ATOM 0 H VAL A 71 -1.669 0.912 13.581 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.052 0.632 11.003 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.209 -1.139 13.454 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.238 -2.757 11.884 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.191 -1.260 12.016 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.161 -1.536 10.592 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.812 -2.726 12.198 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.604 -1.514 10.912 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.956 -1.203 12.540 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.874 2.146 12.066 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.020 2.836 12.625 1.00 0.36 C ATOM 1167 C ASP A 72 -7.279 2.486 11.859 1.00 0.35 C ATOM 1168 O ASP A 72 -7.920 3.372 11.287 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.804 4.342 12.583 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.719 5.080 13.537 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.672 5.731 13.057 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -6.497 5.022 14.757 1.00 1.42 O ATOM 0 H ASP A 72 -4.545 2.512 11.173 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.134 2.517 13.661 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.767 4.565 12.832 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -5.973 4.703 11.568 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.599 1.178 11.847 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.831 0.632 11.246 1.00 0.39 C ATOM 1179 C GLU A 73 -9.187 1.338 9.916 1.00 0.38 C ATOM 1180 O GLU A 73 -8.295 1.883 9.259 1.00 0.56 O ATOM 1181 CB GLU A 73 -9.969 0.688 12.285 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.311 2.075 12.796 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.413 2.040 13.831 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.186 1.494 14.930 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.505 2.582 13.559 1.00 0.92 O ATOM 0 H GLU A 73 -7.002 0.462 12.260 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.670 -0.412 10.978 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.864 0.250 11.843 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.694 0.063 13.135 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.421 2.532 13.229 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.618 2.704 11.960 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.445 1.265 9.413 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.863 2.130 8.309 1.00 0.32 C ATOM 1194 C PRO A 74 -10.812 3.608 8.686 1.00 0.31 C ATOM 1195 O PRO A 74 -11.827 4.196 9.053 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.305 1.700 8.018 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.417 0.328 8.583 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.509 0.304 9.778 1.00 0.38 C ATOM 0 HA PRO A 74 -10.203 2.027 7.448 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.021 2.378 8.483 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.510 1.704 6.947 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.445 0.105 8.868 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.120 -0.422 7.850 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.030 0.606 10.686 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.107 -0.693 9.958 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.616 4.187 8.635 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.429 5.613 8.888 1.00 0.31 C ATOM 1208 C ASP A 75 -8.047 6.064 8.429 1.00 0.30 C ATOM 1209 O ASP A 75 -7.928 6.791 7.440 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.623 5.952 10.371 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.599 7.448 10.651 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.498 8.033 10.734 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.684 8.053 10.805 1.00 0.50 O ATOM 0 H ASP A 75 -8.754 3.686 8.419 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.187 6.147 8.315 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.574 5.540 10.710 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.840 5.467 10.954 1.00 0.34 H new ATOM 1218 N THR A 76 -7.001 5.622 9.130 1.00 0.28 N ATOM 1219 CA THR A 76 -5.644 6.094 8.837 1.00 0.29 C ATOM 1220 C THR A 76 -4.570 5.032 9.066 1.00 0.29 C ATOM 1221 O THR A 76 -4.512 4.407 10.115 1.00 0.35 O ATOM 1222 CB THR A 76 -5.300 7.325 9.685 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.980 7.269 10.946 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.668 8.601 8.949 1.00 0.35 C ATOM 0 H THR A 76 -7.063 4.948 9.893 1.00 0.28 H new ATOM 0 HA THR A 76 -5.646 6.346 7.777 1.00 0.29 H new ATOM 0 HB THR A 76 -4.225 7.326 9.866 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.878 7.649 10.850 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.416 9.463 9.567 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.115 8.653 8.011 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.738 8.605 8.740 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.694 4.846 8.086 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.612 3.873 8.217 1.00 0.31 C ATOM 1234 C LEU A 77 -1.256 4.537 8.005 1.00 0.33 C ATOM 1235 O LEU A 77 -1.038 5.191 6.988 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.757 2.724 7.217 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.082 1.957 7.237 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -4.670 1.846 8.636 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -5.066 2.568 6.242 1.00 0.69 C ATOM 0 H LEU A 77 -3.709 5.350 7.199 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.674 3.471 9.228 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.612 3.126 6.214 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.950 2.013 7.396 1.00 0.33 H new ATOM 0 HG LEU A 77 -3.878 0.934 6.922 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.609 1.293 8.593 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -3.969 1.321 9.285 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.854 2.844 9.033 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -6.003 2.011 6.268 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -5.254 3.608 6.508 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -4.644 2.521 5.238 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.349 4.379 8.958 1.00 0.32 N ATOM 1252 CA VAL A 78 1.019 4.864 8.789 1.00 0.36 C ATOM 1253 C VAL A 78 1.945 3.696 8.482 1.00 0.34 C ATOM 1254 O VAL A 78 2.190 2.841 9.343 1.00 0.36 O ATOM 1255 CB VAL A 78 1.540 5.624 10.028 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.996 6.034 9.841 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.684 6.849 10.301 1.00 0.67 C ATOM 0 H VAL A 78 -0.531 3.922 9.852 1.00 0.32 H new ATOM 0 HA VAL A 78 1.008 5.569 7.958 1.00 0.36 H new ATOM 0 HB VAL A 78 1.477 4.953 10.885 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.340 6.568 10.727 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.608 5.145 9.692 1.00 0.52 H new ATOM 0 HG13 VAL A 78 3.082 6.683 8.970 1.00 0.52 H new ATOM 0 HG21 VAL A 78 1.066 7.372 11.178 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.716 7.515 9.439 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.345 6.540 10.483 1.00 0.67 H new ATOM 1267 N ILE A 79 2.420 3.657 7.244 1.00 0.35 N ATOM 1268 CA ILE A 79 3.218 2.546 6.737 1.00 0.39 C ATOM 1269 C ILE A 79 4.526 3.037 6.086 1.00 0.40 C ATOM 1270 O ILE A 79 4.509 3.912 5.221 1.00 0.43 O ATOM 1271 CB ILE A 79 2.367 1.697 5.741 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.200 1.130 4.590 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.199 2.507 5.192 1.00 0.52 C ATOM 1274 CD1 ILE A 79 4.029 -0.068 4.953 1.00 0.67 C ATOM 0 H ILE A 79 2.263 4.397 6.560 1.00 0.35 H new ATOM 0 HA ILE A 79 3.505 1.914 7.577 1.00 0.39 H new ATOM 0 HB ILE A 79 1.980 0.852 6.310 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.531 0.859 3.773 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.860 1.913 4.216 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.623 1.892 4.501 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.559 2.826 6.015 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.579 3.384 4.667 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.586 -0.403 4.078 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.726 0.199 5.747 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.377 -0.871 5.298 1.00 0.67 H new ATOM 1286 N GLY A 80 5.653 2.481 6.537 1.00 0.42 N ATOM 1287 CA GLY A 80 6.952 2.786 5.953 1.00 0.46 C ATOM 1288 C GLY A 80 7.306 1.825 4.835 1.00 0.46 C ATOM 1289 O GLY A 80 6.731 0.744 4.747 1.00 0.50 O ATOM 0 H GLY A 80 5.687 1.815 7.309 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.947 3.806 5.568 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.718 2.741 6.727 1.00 0.46 H new ATOM 1293 N TRP A 81 8.288 2.184 4.019 1.00 0.50 N ATOM 1294 CA TRP A 81 8.522 1.500 2.749 1.00 0.51 C ATOM 1295 C TRP A 81 8.929 0.032 2.910 1.00 0.53 C ATOM 1296 O TRP A 81 9.355 -0.399 3.972 1.00 0.81 O ATOM 1297 CB TRP A 81 9.564 2.256 1.923 1.00 0.74 C ATOM 1298 CG TRP A 81 9.574 1.875 0.471 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.669 1.627 -0.304 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.430 1.688 -0.376 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.281 1.313 -1.584 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.913 1.346 -1.655 1.00 1.44 C ATOM 1303 CE3 TRP A 81 7.045 1.781 -0.179 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.061 1.101 -2.729 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.204 1.535 -1.247 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.714 1.200 -2.508 1.00 2.79 C ATOM 0 H TRP A 81 8.938 2.946 4.212 1.00 0.50 H new ATOM 0 HA TRP A 81 7.568 1.495 2.222 1.00 0.51 H new ATOM 0 HB2 TRP A 81 9.375 3.326 2.008 1.00 0.74 H new ATOM 0 HB3 TRP A 81 10.552 2.072 2.345 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.692 1.671 0.039 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.909 1.091 -2.356 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.643 2.040 0.789 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.450 0.842 -3.703 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.135 1.602 -1.107 1.00 2.78 H new ATOM 0 HH2 TRP A 81 6.030 1.016 -3.323 1.00 2.79 H new ATOM 1317 N ARG A 82 8.782 -0.713 1.816 1.00 0.54 N ATOM 1318 CA ARG A 82 9.029 -2.150 1.786 1.00 0.74 C ATOM 1319 C ARG A 82 9.305 -2.599 0.350 1.00 0.81 C ATOM 1320 O ARG A 82 9.815 -3.696 0.110 1.00 1.47 O ATOM 1321 CB ARG A 82 7.811 -2.905 2.311 1.00 1.06 C ATOM 1322 CG ARG A 82 8.055 -4.388 2.480 1.00 1.64 C ATOM 1323 CD ARG A 82 6.772 -5.188 2.377 1.00 2.68 C ATOM 1324 NE ARG A 82 6.491 -5.613 1.006 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.224 -6.879 0.673 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.277 -7.830 1.594 1.00 4.80 N ATOM 1327 NH2 ARG A 82 5.939 -7.200 -0.581 1.00 5.46 N ATOM 0 H ARG A 82 8.485 -0.331 0.918 1.00 0.54 H new ATOM 0 HA ARG A 82 9.892 -2.366 2.416 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.515 -2.481 3.270 1.00 1.06 H new ATOM 0 HB3 ARG A 82 6.977 -2.757 1.625 1.00 1.06 H new ATOM 0 HG2 ARG A 82 8.757 -4.729 1.720 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.520 -4.571 3.449 1.00 1.64 H new ATOM 0 HD2 ARG A 82 6.841 -6.065 3.020 1.00 2.68 H new ATOM 0 HD3 ARG A 82 5.941 -4.587 2.746 1.00 2.68 H new ATOM 0 HE ARG A 82 6.499 -4.909 0.268 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.521 -7.595 2.556 1.00 4.80 H new ATOM 0 HH12 ARG A 82 6.073 -8.797 1.341 1.00 4.80 H new ATOM 0 HH21 ARG A 82 5.922 -6.478 -1.301 1.00 5.46 H new ATOM 0 HH22 ARG A 82 5.736 -8.169 -0.826 1.00 5.46 H new ATOM 1341 N LEU A 83 8.913 -1.736 -0.591 1.00 0.79 N ATOM 1342 CA LEU A 83 9.082 -1.959 -2.027 1.00 0.86 C ATOM 1343 C LEU A 83 8.012 -2.903 -2.581 1.00 0.81 C ATOM 1344 O LEU A 83 7.395 -3.677 -1.844 1.00 1.21 O ATOM 1345 CB LEU A 83 10.500 -2.449 -2.354 1.00 1.23 C ATOM 1346 CG LEU A 83 10.899 -2.354 -3.826 1.00 1.13 C ATOM 1347 CD1 LEU A 83 12.293 -1.785 -3.960 1.00 1.55 C ATOM 1348 CD2 LEU A 83 10.835 -3.715 -4.486 1.00 1.28 C ATOM 0 H LEU A 83 8.462 -0.848 -0.371 1.00 0.79 H new ATOM 0 HA LEU A 83 8.949 -0.999 -2.525 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.212 -1.872 -1.763 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.590 -3.488 -2.036 1.00 1.23 H new ATOM 0 HG LEU A 83 10.195 -1.689 -4.325 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.561 -1.724 -5.015 1.00 1.55 H new ATOM 0 HD12 LEU A 83 12.323 -0.788 -3.520 1.00 1.55 H new ATOM 0 HD13 LEU A 83 13.001 -2.432 -3.442 1.00 1.55 H new ATOM 0 HD21 LEU A 83 11.123 -3.625 -5.534 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.517 -4.397 -3.979 1.00 1.28 H new ATOM 0 HD23 LEU A 83 9.819 -4.103 -4.421 1.00 1.28 H new ATOM 1360 N ASN A 84 7.782 -2.806 -3.886 1.00 0.76 N ATOM 1361 CA ASN A 84 6.721 -3.550 -4.556 1.00 1.00 C ATOM 1362 C ASN A 84 7.263 -4.233 -5.804 1.00 1.25 C ATOM 1363 O ASN A 84 8.178 -3.722 -6.447 1.00 1.93 O ATOM 1364 CB ASN A 84 5.594 -2.589 -4.957 1.00 1.26 C ATOM 1365 CG ASN A 84 4.413 -3.278 -5.617 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.070 -4.411 -5.295 1.00 1.81 O ATOM 1367 ND2 ASN A 84 3.789 -2.592 -6.560 1.00 0.94 N ATOM 0 H ASN A 84 8.326 -2.209 -4.509 1.00 0.76 H new ATOM 0 HA ASN A 84 6.337 -4.307 -3.872 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.246 -2.060 -4.070 1.00 1.26 H new ATOM 0 HB3 ASN A 84 5.993 -1.838 -5.639 1.00 1.26 H new ATOM 0 HD21 ASN A 84 2.993 -3.003 -7.047 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.104 -1.652 -6.800 1.00 0.94 H new ATOM 1374 N GLY A 85 6.712 -5.392 -6.129 1.00 1.69 N ATOM 1375 CA GLY A 85 7.034 -6.044 -7.383 1.00 2.21 C ATOM 1376 C GLY A 85 8.307 -6.861 -7.333 1.00 1.96 C ATOM 1377 O GLY A 85 8.699 -7.449 -8.340 1.00 2.40 O ATOM 0 H GLY A 85 6.045 -5.896 -5.545 1.00 1.69 H new ATOM 0 HA2 GLY A 85 6.206 -6.694 -7.668 1.00 2.21 H new ATOM 0 HA3 GLY A 85 7.128 -5.288 -8.162 1.00 2.21 H new ATOM 1381 N PHE A 86 8.952 -6.903 -6.169 1.00 1.79 N ATOM 1382 CA PHE A 86 10.184 -7.670 -6.001 1.00 2.29 C ATOM 1383 C PHE A 86 10.736 -7.491 -4.590 1.00 2.14 C ATOM 1384 O PHE A 86 10.311 -6.600 -3.859 1.00 2.77 O ATOM 1385 CB PHE A 86 11.236 -7.220 -7.030 1.00 3.16 C ATOM 1386 CG PHE A 86 12.378 -8.182 -7.210 1.00 3.79 C ATOM 1387 CD1 PHE A 86 13.679 -7.795 -6.934 1.00 4.45 C ATOM 1388 CD2 PHE A 86 12.148 -9.473 -7.654 1.00 4.03 C ATOM 1389 CE1 PHE A 86 14.728 -8.679 -7.098 1.00 5.26 C ATOM 1390 CE2 PHE A 86 13.192 -10.361 -7.820 1.00 4.80 C ATOM 1391 CZ PHE A 86 14.484 -9.965 -7.542 1.00 5.38 C ATOM 0 H PHE A 86 8.642 -6.415 -5.329 1.00 1.79 H new ATOM 0 HA PHE A 86 9.956 -8.724 -6.160 1.00 2.29 H new ATOM 0 HB2 PHE A 86 10.746 -7.072 -7.992 1.00 3.16 H new ATOM 0 HB3 PHE A 86 11.636 -6.253 -6.724 1.00 3.16 H new ATOM 0 HD1 PHE A 86 13.876 -6.791 -6.587 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.139 -9.789 -7.873 1.00 4.03 H new ATOM 0 HE1 PHE A 86 15.738 -8.365 -6.879 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.997 -11.365 -8.167 1.00 4.80 H new ATOM 0 HZ PHE A 86 15.302 -10.658 -7.671 1.00 5.38 H new ATOM 1401 N GLY A 87 11.674 -8.348 -4.221 1.00 1.90 N ATOM 1402 CA GLY A 87 12.419 -8.166 -2.996 1.00 2.08 C ATOM 1403 C GLY A 87 13.705 -7.439 -3.301 1.00 1.87 C ATOM 1404 O GLY A 87 14.789 -8.013 -3.240 1.00 2.30 O ATOM 0 H GLY A 87 11.934 -9.176 -4.756 1.00 1.90 H new ATOM 0 HA2 GLY A 87 11.828 -7.598 -2.278 1.00 2.08 H new ATOM 0 HA3 GLY A 87 12.633 -9.132 -2.539 1.00 2.08 H new ATOM 1408 N ARG A 88 13.565 -6.175 -3.659 1.00 1.33 N ATOM 1409 CA ARG A 88 14.658 -5.398 -4.219 1.00 1.18 C ATOM 1410 C ARG A 88 15.317 -4.558 -3.134 1.00 1.09 C ATOM 1411 O ARG A 88 14.913 -4.619 -1.975 1.00 1.21 O ATOM 1412 CB ARG A 88 14.097 -4.501 -5.326 1.00 0.98 C ATOM 1413 CG ARG A 88 15.115 -4.016 -6.340 1.00 1.64 C ATOM 1414 CD ARG A 88 14.440 -3.192 -7.421 1.00 2.32 C ATOM 1415 NE ARG A 88 13.287 -3.895 -7.999 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.728 -3.598 -9.177 1.00 3.96 C ATOM 1417 NH1 ARG A 88 13.256 -2.669 -9.964 1.00 4.44 N ATOM 1418 NH2 ARG A 88 11.647 -4.254 -9.577 1.00 4.77 N ATOM 0 H ARG A 88 12.690 -5.658 -3.570 1.00 1.33 H new ATOM 0 HA ARG A 88 15.415 -6.064 -4.633 1.00 1.18 H new ATOM 0 HB2 ARG A 88 13.314 -5.047 -5.853 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.625 -3.633 -4.865 1.00 0.98 H new ATOM 0 HG2 ARG A 88 15.877 -3.417 -5.841 1.00 1.64 H new ATOM 0 HG3 ARG A 88 15.624 -4.869 -6.789 1.00 1.64 H new ATOM 0 HD2 ARG A 88 14.113 -2.240 -7.002 1.00 2.32 H new ATOM 0 HD3 ARG A 88 15.159 -2.964 -8.208 1.00 2.32 H new ATOM 0 HE ARG A 88 12.884 -4.664 -7.464 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.098 -2.172 -9.673 1.00 4.44 H new ATOM 0 HH12 ARG A 88 12.820 -2.452 -10.860 1.00 4.44 H new ATOM 0 HH21 ARG A 88 11.245 -4.982 -8.987 1.00 4.77 H new ATOM 0 HH22 ARG A 88 11.218 -4.030 -10.475 1.00 4.77 H new ATOM 1432 N ILE A 89 16.336 -3.794 -3.513 1.00 1.08 N ATOM 1433 CA ILE A 89 17.021 -2.906 -2.586 1.00 1.08 C ATOM 1434 C ILE A 89 16.011 -1.979 -1.901 1.00 1.04 C ATOM 1435 O ILE A 89 15.259 -1.250 -2.552 1.00 1.15 O ATOM 1436 CB ILE A 89 18.143 -2.103 -3.310 1.00 1.29 C ATOM 1437 CG1 ILE A 89 19.013 -1.313 -2.314 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.565 -1.182 -4.381 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.379 -0.043 -1.780 1.00 1.70 C ATOM 0 H ILE A 89 16.706 -3.774 -4.463 1.00 1.08 H new ATOM 0 HA ILE A 89 17.504 -3.507 -1.815 1.00 1.08 H new ATOM 0 HB ILE A 89 18.788 -2.829 -3.805 1.00 1.29 H new ATOM 0 HG12 ILE A 89 19.256 -1.962 -1.473 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.954 -1.055 -2.801 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.374 -0.636 -4.867 1.00 1.11 H new ATOM 0 HG22 ILE A 89 17.031 -1.776 -5.123 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.876 -0.474 -3.919 1.00 1.11 H new ATOM 0 HD11 ILE A 89 19.066 0.443 -1.087 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.161 0.631 -2.608 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.453 -0.289 -1.260 1.00 1.70 H new ATOM 1451 N ASP A 90 15.993 -2.037 -0.581 1.00 1.05 N ATOM 1452 CA ASP A 90 15.008 -1.318 0.207 1.00 1.15 C ATOM 1453 C ASP A 90 15.674 -0.379 1.207 1.00 1.01 C ATOM 1454 O ASP A 90 16.779 -0.640 1.685 1.00 1.14 O ATOM 1455 CB ASP A 90 14.117 -2.312 0.958 1.00 1.54 C ATOM 1456 CG ASP A 90 14.909 -3.186 1.921 1.00 2.36 C ATOM 1457 OD1 ASP A 90 15.215 -2.723 3.045 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.216 -4.347 1.581 1.00 3.18 O ATOM 0 H ASP A 90 16.656 -2.580 -0.028 1.00 1.05 H new ATOM 0 HA ASP A 90 14.404 -0.720 -0.476 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.353 -1.766 1.511 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.598 -2.946 0.239 1.00 1.54 H new ATOM 1463 N PRO A 91 15.025 0.758 1.494 1.00 1.32 N ATOM 1464 CA PRO A 91 15.408 1.631 2.595 1.00 1.52 C ATOM 1465 C PRO A 91 14.862 1.107 3.921 1.00 1.24 C ATOM 1466 O PRO A 91 15.605 0.948 4.893 1.00 1.58 O ATOM 1467 CB PRO A 91 14.761 2.981 2.238 1.00 2.16 C ATOM 1468 CG PRO A 91 14.053 2.779 0.931 1.00 2.36 C ATOM 1469 CD PRO A 91 13.890 1.296 0.747 1.00 1.92 C ATOM 0 HA PRO A 91 16.489 1.699 2.719 1.00 1.52 H new ATOM 0 HB2 PRO A 91 14.062 3.294 3.014 1.00 2.16 H new ATOM 0 HB3 PRO A 91 15.516 3.763 2.154 1.00 2.16 H new ATOM 0 HG2 PRO A 91 13.083 3.276 0.936 1.00 2.36 H new ATOM 0 HG3 PRO A 91 14.627 3.209 0.110 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.939 0.940 1.142 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.925 1.011 -0.305 1.00 1.92 H new ATOM 1477 N ASP A 92 13.552 0.851 3.931 1.00 1.06 N ATOM 1478 CA ASP A 92 12.844 0.259 5.072 1.00 1.34 C ATOM 1479 C ASP A 92 13.246 0.871 6.411 1.00 1.18 C ATOM 1480 O ASP A 92 13.411 0.161 7.406 1.00 1.61 O ATOM 1481 CB ASP A 92 13.063 -1.255 5.095 1.00 1.93 C ATOM 1482 CG ASP A 92 12.262 -1.971 4.024 1.00 2.60 C ATOM 1483 OD1 ASP A 92 11.888 -3.148 4.248 1.00 2.98 O ATOM 1484 OD2 ASP A 92 11.996 -1.360 2.968 1.00 2.99 O ATOM 0 H ASP A 92 12.944 1.051 3.137 1.00 1.06 H new ATOM 0 HA ASP A 92 11.785 0.480 4.935 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.123 -1.468 4.956 1.00 1.93 H new ATOM 0 HB3 ASP A 92 12.785 -1.645 6.074 1.00 1.93 H new ATOM 1489 N ASN A 93 13.383 2.191 6.444 1.00 1.06 N ATOM 1490 CA ASN A 93 13.705 2.889 7.686 1.00 1.26 C ATOM 1491 C ASN A 93 12.911 4.180 7.749 1.00 1.04 C ATOM 1492 O ASN A 93 12.669 4.745 8.814 1.00 1.49 O ATOM 1493 CB ASN A 93 15.209 3.170 7.788 1.00 1.65 C ATOM 1494 CG ASN A 93 15.715 4.113 6.714 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.672 5.330 6.871 1.00 3.06 O ATOM 1496 ND2 ASN A 93 16.205 3.554 5.619 1.00 2.21 N ATOM 0 H ASN A 93 13.277 2.798 5.631 1.00 1.06 H new ATOM 0 HA ASN A 93 13.435 2.256 8.531 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.427 3.595 8.768 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.753 2.228 7.721 1.00 1.65 H new ATOM 0 HD21 ASN A 93 16.566 4.139 4.865 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.222 2.538 5.529 1.00 2.21 H new ATOM 1503 N SER A 94 12.514 4.632 6.579 1.00 0.68 N ATOM 1504 CA SER A 94 11.633 5.763 6.429 1.00 0.77 C ATOM 1505 C SER A 94 10.832 5.569 5.145 1.00 0.72 C ATOM 1506 O SER A 94 10.459 4.437 4.827 1.00 1.22 O ATOM 1507 CB SER A 94 12.434 7.067 6.404 1.00 1.19 C ATOM 1508 OG SER A 94 13.123 7.264 7.628 1.00 1.85 O ATOM 0 H SER A 94 12.801 4.215 5.693 1.00 0.68 H new ATOM 0 HA SER A 94 10.949 5.830 7.275 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.148 7.044 5.581 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.763 7.906 6.221 1.00 1.19 H new ATOM 0 HG SER A 94 13.957 6.750 7.620 1.00 1.85 H new ATOM 1514 N SER A 95 10.589 6.648 4.407 1.00 0.60 N ATOM 1515 CA SER A 95 9.744 6.589 3.219 1.00 0.67 C ATOM 1516 C SER A 95 8.347 6.132 3.645 1.00 0.70 C ATOM 1517 O SER A 95 7.660 5.386 2.953 1.00 1.27 O ATOM 1518 CB SER A 95 10.354 5.662 2.154 1.00 0.93 C ATOM 1519 OG SER A 95 9.645 5.735 0.929 1.00 1.44 O ATOM 0 H SER A 95 10.965 7.574 4.611 1.00 0.60 H new ATOM 0 HA SER A 95 9.672 7.575 2.761 1.00 0.67 H new ATOM 0 HB2 SER A 95 11.396 5.934 1.988 1.00 0.93 H new ATOM 0 HB3 SER A 95 10.347 4.635 2.518 1.00 0.93 H new ATOM 0 HG SER A 95 10.039 6.432 0.364 1.00 1.44 H new ATOM 1525 N GLU A 96 7.952 6.613 4.814 1.00 0.48 N ATOM 1526 CA GLU A 96 6.655 6.322 5.391 1.00 0.45 C ATOM 1527 C GLU A 96 5.574 7.109 4.673 1.00 0.45 C ATOM 1528 O GLU A 96 5.797 8.248 4.246 1.00 0.60 O ATOM 1529 CB GLU A 96 6.657 6.700 6.871 1.00 0.56 C ATOM 1530 CG GLU A 96 7.719 5.978 7.681 1.00 1.11 C ATOM 1531 CD GLU A 96 8.031 6.681 8.985 1.00 1.30 C ATOM 1532 OE1 GLU A 96 9.018 7.447 9.040 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.278 6.485 9.962 1.00 1.33 O ATOM 0 H GLU A 96 8.531 7.222 5.392 1.00 0.48 H new ATOM 0 HA GLU A 96 6.452 5.256 5.283 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.811 7.775 6.963 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.677 6.481 7.295 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.383 4.962 7.891 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.630 5.897 7.089 1.00 1.11 H new ATOM 1540 N PHE A 97 4.416 6.503 4.528 1.00 0.39 N ATOM 1541 CA PHE A 97 3.275 7.194 3.968 1.00 0.40 C ATOM 1542 C PHE A 97 2.048 6.986 4.832 1.00 0.41 C ATOM 1543 O PHE A 97 1.742 5.869 5.247 1.00 0.53 O ATOM 1544 CB PHE A 97 3.004 6.766 2.522 1.00 0.51 C ATOM 1545 CG PHE A 97 3.211 5.305 2.241 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.488 4.817 2.018 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.138 4.425 2.175 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.700 3.488 1.739 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.346 3.087 1.896 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.629 2.618 1.676 1.00 0.63 C ATOM 0 H PHE A 97 4.239 5.533 4.790 1.00 0.39 H new ATOM 0 HA PHE A 97 3.511 8.258 3.952 1.00 0.40 H new ATOM 0 HB2 PHE A 97 1.976 7.027 2.269 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.651 7.343 1.861 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.330 5.491 2.064 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.135 4.788 2.343 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.703 3.124 1.569 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.507 2.408 1.850 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.793 1.574 1.455 1.00 0.63 H new ATOM 1560 N THR A 98 1.370 8.081 5.118 1.00 0.35 N ATOM 1561 CA THR A 98 0.167 8.049 5.915 1.00 0.36 C ATOM 1562 C THR A 98 -1.057 7.994 5.016 1.00 0.33 C ATOM 1563 O THR A 98 -1.332 8.929 4.258 1.00 0.36 O ATOM 1564 CB THR A 98 0.079 9.282 6.833 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.278 9.390 7.612 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.123 9.190 7.759 1.00 0.40 C ATOM 0 H THR A 98 1.640 9.013 4.804 1.00 0.35 H new ATOM 0 HA THR A 98 0.200 7.155 6.537 1.00 0.36 H new ATOM 0 HB THR A 98 -0.036 10.167 6.207 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.220 10.176 8.194 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.160 10.074 8.396 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.036 9.131 7.166 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.036 8.299 8.380 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.770 6.887 5.085 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.981 6.719 4.318 1.00 0.35 C ATOM 1576 C VAL A 99 -4.132 7.391 5.041 1.00 0.31 C ATOM 1577 O VAL A 99 -4.587 6.911 6.079 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.309 5.221 4.107 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.638 5.052 3.397 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.210 4.528 3.320 1.00 0.87 C ATOM 0 H VAL A 99 -1.526 6.087 5.670 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.833 7.177 3.340 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.377 4.758 5.091 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.845 3.991 3.261 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.430 5.503 3.995 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.595 5.541 2.424 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.466 3.477 3.186 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -2.106 5.003 2.345 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.269 4.606 3.864 1.00 0.87 H new ATOM 1590 N THR A 100 -4.589 8.504 4.498 1.00 0.31 N ATOM 1591 CA THR A 100 -5.714 9.211 5.070 1.00 0.30 C ATOM 1592 C THR A 100 -6.972 8.908 4.276 1.00 0.26 C ATOM 1593 O THR A 100 -7.143 9.390 3.158 1.00 0.28 O ATOM 1594 CB THR A 100 -5.472 10.736 5.094 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.215 11.031 5.726 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.593 11.451 5.835 1.00 0.36 C ATOM 0 H THR A 100 -4.197 8.936 3.661 1.00 0.31 H new ATOM 0 HA THR A 100 -5.834 8.870 6.098 1.00 0.30 H new ATOM 0 HB THR A 100 -5.451 11.090 4.063 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.072 12.001 5.734 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.400 12.524 5.839 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.542 11.254 5.336 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.640 11.087 6.861 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.839 8.089 4.840 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.104 7.783 4.205 1.00 0.24 C ATOM 1606 C PHE A 101 -10.158 8.794 4.628 1.00 0.25 C ATOM 1607 O PHE A 101 -10.577 8.818 5.789 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.578 6.375 4.568 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.868 5.257 3.861 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.942 5.133 2.484 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.153 4.310 4.576 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.314 4.091 1.833 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.520 3.266 3.929 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.601 3.155 2.555 1.00 0.29 C ATOM 0 H PHE A 101 -7.690 7.625 5.736 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.957 7.833 3.126 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.461 6.236 5.643 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.644 6.301 4.351 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.498 5.861 1.912 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.090 4.389 5.651 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.380 4.008 0.758 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.962 2.537 4.498 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.108 2.339 2.047 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.574 9.638 3.701 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.633 10.592 3.977 1.00 0.31 C ATOM 1626 C VAL A 102 -12.977 9.941 3.692 1.00 0.30 C ATOM 1627 O VAL A 102 -13.345 9.724 2.533 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.483 11.883 3.142 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.591 12.874 3.475 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.114 12.510 3.366 1.00 0.54 C ATOM 0 H VAL A 102 -10.197 9.683 2.754 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.567 10.877 5.027 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.570 11.619 2.088 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.465 13.775 2.875 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.559 12.424 3.256 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.542 13.132 4.533 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.028 13.418 2.769 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.995 12.756 4.421 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.338 11.805 3.068 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.691 9.611 4.757 1.00 0.31 N ATOM 1641 CA ALA A 103 -14.948 8.901 4.639 1.00 0.35 C ATOM 1642 C ALA A 103 -16.073 9.830 4.237 1.00 0.39 C ATOM 1643 O ALA A 103 -16.333 10.838 4.893 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.290 8.206 5.944 1.00 0.44 C ATOM 0 H ALA A 103 -13.417 9.826 5.716 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.831 8.152 3.856 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.237 7.678 5.837 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.503 7.494 6.194 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.375 8.947 6.739 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.730 9.483 3.155 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.917 10.182 2.724 1.00 0.57 C ATOM 1652 C ASP A 104 -19.124 9.289 2.965 1.00 0.64 C ATOM 1653 O ASP A 104 -19.140 8.122 2.566 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.798 10.581 1.253 1.00 0.58 C ATOM 1655 CG ASP A 104 -19.109 11.078 0.677 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -19.378 12.291 0.767 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.866 10.262 0.116 1.00 2.03 O ATOM 0 H ASP A 104 -16.457 8.709 2.550 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.038 11.101 3.297 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -17.042 11.360 1.151 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.453 9.724 0.675 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.113 9.840 3.647 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.254 9.067 4.112 1.00 0.83 C ATOM 1664 C GLY A 105 -22.044 8.372 3.015 1.00 1.06 C ATOM 1665 O GLY A 105 -22.783 7.427 3.293 1.00 1.97 O ATOM 0 H GLY A 105 -20.149 10.829 3.893 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -20.902 8.315 4.818 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.925 9.729 4.659 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.887 8.804 1.776 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.673 8.253 0.682 1.00 2.07 C ATOM 1671 C GLN A 106 -21.929 7.094 0.006 1.00 1.73 C ATOM 1672 O GLN A 106 -21.981 6.934 -1.216 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.010 9.362 -0.325 1.00 2.98 C ATOM 1674 CG GLN A 106 -24.103 8.984 -1.318 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.401 8.579 -0.644 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.705 9.192 0.491 1.00 4.84 O flip ATOM 1677 NE2 GLN A 106 -26.133 7.732 -1.150 1.00 4.93 N flip ATOM 0 H GLN A 106 -21.226 9.531 1.501 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.605 7.853 1.081 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.321 10.253 0.221 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.107 9.625 -0.876 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -24.292 9.828 -1.981 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.752 8.162 -1.941 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.864 7.282 -2.025 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -27.010 7.478 -0.695 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.267 6.266 0.821 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.514 5.108 0.324 1.00 0.48 C ATOM 1688 C LYS A 107 -19.343 5.553 -0.538 1.00 0.38 C ATOM 1689 O LYS A 107 -18.950 4.867 -1.474 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.423 4.168 -0.472 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.561 3.573 0.343 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.521 2.769 -0.527 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.439 3.659 -1.362 1.00 2.95 C ATOM 1694 NZ LYS A 107 -23.706 4.470 -2.376 1.00 3.53 N ATOM 0 H LYS A 107 -21.237 6.377 1.834 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.125 4.568 1.188 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.842 4.714 -1.318 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -20.821 3.357 -0.882 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.152 2.930 1.123 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.107 4.373 0.843 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.949 2.120 -1.190 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.127 2.122 0.108 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -25.176 3.036 -1.868 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.988 4.328 -0.699 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -24.356 4.739 -3.142 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -23.327 5.328 -1.927 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -22.922 3.910 -2.768 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.769 6.689 -0.196 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.627 7.211 -0.921 1.00 0.29 C ATOM 1710 C LYS A 108 -16.464 7.389 0.039 1.00 0.27 C ATOM 1711 O LYS A 108 -16.668 7.554 1.238 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.989 8.551 -1.566 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.894 9.144 -2.434 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.163 10.606 -2.780 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.534 10.810 -3.410 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.565 11.200 -2.410 1.00 2.44 N ATOM 0 H LYS A 108 -19.076 7.271 0.583 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.342 6.512 -1.707 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.885 8.418 -2.172 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.239 9.263 -0.780 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.938 9.065 -1.916 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.807 8.565 -3.353 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.088 11.210 -1.876 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -16.394 10.962 -3.466 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.467 11.580 -4.178 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -18.843 9.890 -3.907 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -20.487 11.294 -2.881 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.626 10.470 -1.672 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -19.303 12.109 -1.978 1.00 2.44 H new ATOM 1730 N THR A 109 -15.250 7.322 -0.470 1.00 0.26 N ATOM 1731 CA THR A 109 -14.076 7.576 0.347 1.00 0.25 C ATOM 1732 C THR A 109 -12.901 8.022 -0.504 1.00 0.26 C ATOM 1733 O THR A 109 -12.397 7.272 -1.335 1.00 0.35 O ATOM 1734 CB THR A 109 -13.681 6.340 1.180 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.699 6.078 2.145 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.349 6.548 1.889 1.00 0.42 C ATOM 0 H THR A 109 -15.049 7.094 -1.444 1.00 0.26 H new ATOM 0 HA THR A 109 -14.338 8.381 1.034 1.00 0.25 H new ATOM 0 HB THR A 109 -13.574 5.492 0.504 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.352 6.809 2.138 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.101 5.657 2.467 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.568 6.730 1.150 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.423 7.405 2.558 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.497 9.260 -0.309 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.312 9.782 -0.965 1.00 0.27 C ATOM 1746 C ARG A 110 -10.093 9.582 -0.072 1.00 0.26 C ATOM 1747 O ARG A 110 -9.989 10.187 0.992 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.497 11.267 -1.303 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.205 11.983 -1.678 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.522 11.352 -2.882 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.283 11.535 -4.118 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.926 12.364 -5.101 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -8.857 13.145 -4.973 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -10.650 12.418 -6.210 1.00 2.59 N ATOM 0 H ARG A 110 -12.972 9.927 0.300 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.156 9.238 -1.897 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.203 11.356 -2.129 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.944 11.771 -0.446 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.422 13.029 -1.893 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.524 11.967 -0.827 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.530 11.787 -3.002 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.383 10.286 -2.699 1.00 0.62 H new ATOM 0 HE ARG A 110 -11.140 10.995 -4.236 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.302 13.114 -4.118 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.592 13.775 -5.730 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -11.476 11.828 -6.309 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -10.381 13.050 -6.964 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.188 8.712 -0.487 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.948 8.525 0.246 1.00 0.27 C ATOM 1770 C VAL A 111 -6.901 9.515 -0.235 1.00 0.29 C ATOM 1771 O VAL A 111 -6.783 9.786 -1.437 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.379 7.093 0.119 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.971 6.792 -1.309 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.194 6.906 1.051 1.00 0.33 C ATOM 0 H VAL A 111 -9.287 8.130 -1.319 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.185 8.694 1.296 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.166 6.395 0.404 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.575 5.778 -1.368 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.839 6.881 -1.962 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.205 7.500 -1.626 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.807 5.892 0.948 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.413 7.621 0.794 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.512 7.070 2.081 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.165 10.057 0.709 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.068 10.951 0.420 1.00 0.37 C ATOM 1786 C ASP A 112 -3.860 10.534 1.242 1.00 0.37 C ATOM 1787 O ASP A 112 -3.848 10.681 2.462 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.472 12.392 0.734 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.374 13.391 0.437 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.623 13.746 1.369 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.247 13.806 -0.735 1.00 1.38 O ATOM 0 H ASP A 112 -6.312 9.889 1.704 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.812 10.896 -0.638 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.358 12.650 0.153 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.748 12.465 1.786 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.873 9.948 0.587 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.659 9.548 1.272 1.00 0.41 C ATOM 1798 C VAL A 113 -0.641 10.658 1.238 1.00 0.43 C ATOM 1799 O VAL A 113 -0.218 11.088 0.166 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.033 8.284 0.650 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.448 8.160 0.986 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.780 7.047 1.110 1.00 0.77 C ATOM 0 H VAL A 113 -2.889 9.740 -0.411 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.939 9.327 2.302 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.119 8.374 -0.433 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.850 7.256 0.529 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.982 9.029 0.603 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.572 8.106 2.068 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.328 6.162 0.663 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.727 6.973 2.196 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.823 7.116 0.802 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.241 11.102 2.408 1.00 0.47 N ATOM 1813 CA GLU A 114 0.863 12.020 2.511 1.00 0.55 C ATOM 1814 C GLU A 114 2.110 11.241 2.869 1.00 0.60 C ATOM 1815 O GLU A 114 2.101 10.401 3.771 1.00 0.62 O ATOM 1816 CB GLU A 114 0.608 13.102 3.551 1.00 0.67 C ATOM 1817 CG GLU A 114 1.783 14.053 3.711 1.00 1.31 C ATOM 1818 CD GLU A 114 1.935 15.021 2.549 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.362 16.170 2.787 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.634 14.642 1.401 1.00 2.05 O ATOM 0 H GLU A 114 -0.665 10.841 3.298 1.00 0.47 H new ATOM 0 HA GLU A 114 0.988 12.520 1.551 1.00 0.55 H new ATOM 0 HB2 GLU A 114 -0.278 13.670 3.268 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.392 12.633 4.511 1.00 0.67 H new ATOM 0 HG2 GLU A 114 1.660 14.620 4.634 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.700 13.473 3.814 1.00 1.31 H new ATOM 1827 N HIS A 115 3.172 11.521 2.164 1.00 0.70 N ATOM 1828 CA HIS A 115 4.397 10.769 2.296 1.00 0.80 C ATOM 1829 C HIS A 115 5.497 11.669 2.809 1.00 0.89 C ATOM 1830 O HIS A 115 5.442 12.886 2.640 1.00 1.17 O ATOM 1831 CB HIS A 115 4.773 10.213 0.935 1.00 0.92 C ATOM 1832 CG HIS A 115 5.894 9.217 0.901 1.00 0.87 C ATOM 1833 ND1 HIS A 115 5.698 7.860 0.998 1.00 1.59 N ATOM 1834 CD2 HIS A 115 7.212 9.388 0.667 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.850 7.240 0.818 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.786 8.145 0.614 1.00 1.47 N ATOM 0 H HIS A 115 3.216 12.277 1.480 1.00 0.70 H new ATOM 0 HA HIS A 115 4.258 9.951 3.003 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.889 9.745 0.502 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.040 11.049 0.288 1.00 0.92 H new ATOM 0 HD2 HIS A 115 7.721 10.332 0.544 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.000 6.171 0.835 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.773 7.952 0.445 1.00 1.47 H new ATOM 1845 N THR A 116 6.461 11.069 3.463 1.00 0.90 N ATOM 1846 CA THR A 116 7.673 11.762 3.844 1.00 1.08 C ATOM 1847 C THR A 116 8.455 12.204 2.593 1.00 0.83 C ATOM 1848 O THR A 116 7.941 12.193 1.475 1.00 1.67 O ATOM 1849 CB THR A 116 8.550 10.823 4.690 1.00 1.92 C ATOM 1850 OG1 THR A 116 9.686 11.517 5.222 1.00 2.67 O ATOM 1851 CG2 THR A 116 9.008 9.651 3.842 1.00 2.51 C ATOM 0 H THR A 116 6.431 10.090 3.747 1.00 0.90 H new ATOM 0 HA THR A 116 7.408 12.646 4.423 1.00 1.08 H new ATOM 0 HB THR A 116 7.955 10.457 5.527 1.00 1.92 H new ATOM 0 HG1 THR A 116 10.226 10.899 5.757 1.00 2.67 H new ATOM 0 HG21 THR A 116 9.629 8.987 4.444 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.139 9.103 3.478 1.00 2.51 H new ATOM 0 HG23 THR A 116 9.586 10.019 2.994 1.00 2.51 H new ATOM 1859 N HIS A 117 9.701 12.570 2.799 1.00 0.72 N ATOM 1860 CA HIS A 117 10.584 12.972 1.717 1.00 1.13 C ATOM 1861 C HIS A 117 11.930 12.256 1.828 1.00 0.90 C ATOM 1862 O HIS A 117 12.951 12.766 1.371 1.00 0.97 O ATOM 1863 CB HIS A 117 10.778 14.498 1.711 1.00 1.98 C ATOM 1864 CG HIS A 117 11.212 15.077 3.026 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.366 15.789 3.846 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.411 15.063 3.651 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.024 16.191 4.913 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.269 15.766 4.822 1.00 2.63 N ATOM 0 H HIS A 117 10.135 12.599 3.722 1.00 0.72 H new ATOM 0 HA HIS A 117 10.121 12.685 0.773 1.00 1.13 H new ATOM 0 HB2 HIS A 117 11.519 14.754 0.954 1.00 1.98 H new ATOM 0 HB3 HIS A 117 9.841 14.969 1.413 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.313 14.587 3.295 1.00 2.33 H new ATOM 0 HE1 HIS A 117 10.613 16.771 5.726 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.005 15.932 5.508 1.00 2.63 H new ATOM 1877 N PHE A 118 11.926 11.064 2.431 1.00 0.76 N ATOM 1878 CA PHE A 118 13.143 10.254 2.538 1.00 0.76 C ATOM 1879 C PHE A 118 13.614 9.833 1.147 1.00 0.65 C ATOM 1880 O PHE A 118 14.792 9.558 0.923 1.00 0.74 O ATOM 1881 CB PHE A 118 12.915 9.015 3.426 1.00 0.97 C ATOM 1882 CG PHE A 118 14.181 8.274 3.733 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.184 8.869 4.478 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.364 6.980 3.276 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.351 8.188 4.759 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.526 6.294 3.554 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.522 6.899 4.297 1.00 3.54 C ATOM 0 H PHE A 118 11.099 10.640 2.851 1.00 0.76 H new ATOM 0 HA PHE A 118 13.916 10.862 3.008 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.447 9.325 4.360 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.218 8.341 2.928 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.052 9.877 4.843 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.588 6.503 2.696 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.129 8.663 5.339 1.00 3.18 H new ATOM 0 HE2 PHE A 118 15.658 5.285 3.192 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.434 6.363 4.516 1.00 3.54 H new ATOM 1897 N ASP A 119 12.668 9.804 0.227 1.00 0.66 N ATOM 1898 CA ASP A 119 12.923 9.480 -1.170 1.00 0.75 C ATOM 1899 C ASP A 119 13.688 10.627 -1.818 1.00 0.74 C ATOM 1900 O ASP A 119 14.665 10.425 -2.538 1.00 0.83 O ATOM 1901 CB ASP A 119 11.582 9.282 -1.879 1.00 0.94 C ATOM 1902 CG ASP A 119 10.483 8.907 -0.896 1.00 1.34 C ATOM 1903 OD1 ASP A 119 10.098 7.721 -0.826 1.00 1.75 O ATOM 1904 OD2 ASP A 119 10.027 9.800 -0.148 1.00 1.81 O ATOM 0 H ASP A 119 11.689 10.007 0.428 1.00 0.66 H new ATOM 0 HA ASP A 119 13.515 8.568 -1.246 1.00 0.75 H new ATOM 0 HB2 ASP A 119 11.307 10.198 -2.402 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.679 8.501 -2.633 1.00 0.94 H new ATOM 1909 N ARG A 120 13.226 11.840 -1.528 1.00 0.76 N ATOM 1910 CA ARG A 120 13.869 13.075 -1.978 1.00 0.89 C ATOM 1911 C ARG A 120 15.313 13.173 -1.492 1.00 0.83 C ATOM 1912 O ARG A 120 16.122 13.897 -2.073 1.00 1.00 O ATOM 1913 CB ARG A 120 13.052 14.277 -1.481 1.00 1.07 C ATOM 1914 CG ARG A 120 13.725 15.636 -1.646 1.00 1.50 C ATOM 1915 CD ARG A 120 14.435 16.066 -0.371 1.00 1.71 C ATOM 1916 NE ARG A 120 14.940 17.433 -0.452 1.00 2.15 N ATOM 1917 CZ ARG A 120 15.821 17.950 0.402 1.00 2.66 C ATOM 1918 NH1 ARG A 120 16.295 17.210 1.399 1.00 2.90 N ATOM 1919 NH2 ARG A 120 16.215 19.211 0.268 1.00 3.38 N ATOM 0 H ARG A 120 12.387 11.997 -0.969 1.00 0.76 H new ATOM 0 HA ARG A 120 13.898 13.072 -3.068 1.00 0.89 H new ATOM 0 HB2 ARG A 120 12.101 14.294 -2.013 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.824 14.129 -0.426 1.00 1.07 H new ATOM 0 HG2 ARG A 120 14.442 15.591 -2.465 1.00 1.50 H new ATOM 0 HG3 ARG A 120 12.978 16.382 -1.917 1.00 1.50 H new ATOM 0 HD2 ARG A 120 13.747 15.985 0.470 1.00 1.71 H new ATOM 0 HD3 ARG A 120 15.264 15.386 -0.172 1.00 1.71 H new ATOM 0 HE ARG A 120 14.598 18.027 -1.207 1.00 2.15 H new ATOM 0 HH11 ARG A 120 15.984 16.245 1.510 1.00 2.90 H new ATOM 0 HH12 ARG A 120 16.970 17.607 2.053 1.00 2.90 H new ATOM 0 HH21 ARG A 120 15.843 19.784 -0.489 1.00 3.38 H new ATOM 0 HH22 ARG A 120 16.890 19.607 0.922 1.00 3.38 H new ATOM 1933 N MET A 121 15.638 12.433 -0.440 1.00 0.73 N ATOM 1934 CA MET A 121 16.955 12.511 0.193 1.00 0.91 C ATOM 1935 C MET A 121 18.042 11.843 -0.654 1.00 1.12 C ATOM 1936 O MET A 121 18.986 11.250 -0.124 1.00 1.41 O ATOM 1937 CB MET A 121 16.905 11.866 1.577 1.00 1.05 C ATOM 1938 CG MET A 121 15.905 12.519 2.518 1.00 1.28 C ATOM 1939 SD MET A 121 16.145 14.301 2.682 1.00 2.15 S ATOM 1940 CE MET A 121 17.760 14.358 3.457 1.00 2.43 C ATOM 0 H MET A 121 15.004 11.765 -0.001 1.00 0.73 H new ATOM 0 HA MET A 121 17.213 13.566 0.285 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.653 10.811 1.468 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.897 11.912 2.026 1.00 1.05 H new ATOM 0 HG2 MET A 121 14.895 12.326 2.156 1.00 1.28 H new ATOM 0 HG3 MET A 121 15.985 12.056 3.501 1.00 1.28 H new ATOM 0 HE1 MET A 121 17.963 15.372 3.800 1.00 2.43 H new ATOM 0 HE2 MET A 121 17.780 13.677 4.308 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.521 14.060 2.735 1.00 2.43 H new ATOM 1950 N GLY A 122 17.903 11.928 -1.965 1.00 1.18 N ATOM 1951 CA GLY A 122 18.939 11.469 -2.859 1.00 1.61 C ATOM 1952 C GLY A 122 18.397 10.560 -3.929 1.00 1.21 C ATOM 1953 O GLY A 122 17.470 9.792 -3.680 1.00 1.30 O ATOM 0 H GLY A 122 17.080 12.312 -2.430 1.00 1.18 H new ATOM 0 HA2 GLY A 122 19.424 12.328 -3.324 1.00 1.61 H new ATOM 0 HA3 GLY A 122 19.703 10.942 -2.288 1.00 1.61 H new ATOM 1957 N THR A 123 18.973 10.642 -5.119 1.00 1.27 N ATOM 1958 CA THR A 123 18.550 9.816 -6.236 1.00 1.42 C ATOM 1959 C THR A 123 18.737 8.331 -5.917 1.00 1.27 C ATOM 1960 O THR A 123 18.019 7.483 -6.433 1.00 1.24 O ATOM 1961 CB THR A 123 19.327 10.194 -7.513 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.185 11.601 -7.755 1.00 2.44 O ATOM 1963 CG2 THR A 123 18.824 9.419 -8.724 1.00 2.58 C ATOM 0 H THR A 123 19.741 11.278 -5.335 1.00 1.27 H new ATOM 0 HA THR A 123 17.489 9.997 -6.409 1.00 1.42 H new ATOM 0 HB THR A 123 20.376 9.939 -7.361 1.00 1.94 H new ATOM 0 HG1 THR A 123 19.679 11.845 -8.565 1.00 2.44 H new ATOM 0 HG21 THR A 123 19.395 9.711 -9.606 1.00 2.58 H new ATOM 0 HG22 THR A 123 18.948 8.350 -8.549 1.00 2.58 H new ATOM 0 HG23 THR A 123 17.769 9.640 -8.885 1.00 2.58 H new ATOM 1971 N LYS A 124 19.690 8.029 -5.043 1.00 1.28 N ATOM 1972 CA LYS A 124 19.932 6.658 -4.612 1.00 1.24 C ATOM 1973 C LYS A 124 18.735 6.133 -3.809 1.00 1.05 C ATOM 1974 O LYS A 124 18.256 5.025 -4.045 1.00 1.04 O ATOM 1975 CB LYS A 124 21.222 6.601 -3.789 1.00 1.43 C ATOM 1976 CG LYS A 124 21.686 5.197 -3.439 1.00 2.04 C ATOM 1977 CD LYS A 124 23.074 5.224 -2.821 1.00 2.45 C ATOM 1978 CE LYS A 124 23.455 3.885 -2.211 1.00 3.14 C ATOM 1979 NZ LYS A 124 23.426 2.778 -3.204 1.00 3.80 N ATOM 0 H LYS A 124 20.310 8.718 -4.618 1.00 1.28 H new ATOM 0 HA LYS A 124 20.051 6.017 -5.486 1.00 1.24 H new ATOM 0 HB2 LYS A 124 22.014 7.104 -4.344 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.074 7.162 -2.866 1.00 1.43 H new ATOM 0 HG2 LYS A 124 20.982 4.740 -2.743 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.695 4.578 -4.336 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.804 5.495 -3.583 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.113 5.996 -2.053 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.454 3.957 -1.780 1.00 3.14 H new ATOM 0 HE3 LYS A 124 22.772 3.654 -1.394 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 23.790 1.908 -2.765 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 22.448 2.622 -3.522 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.020 3.028 -4.020 1.00 3.80 H new ATOM 1993 N HIS A 125 18.260 6.933 -2.857 1.00 0.96 N ATOM 1994 CA HIS A 125 17.026 6.629 -2.132 1.00 0.85 C ATOM 1995 C HIS A 125 15.819 6.661 -3.070 1.00 0.76 C ATOM 1996 O HIS A 125 14.985 5.760 -3.056 1.00 0.76 O ATOM 1997 CB HIS A 125 16.793 7.629 -0.993 1.00 0.85 C ATOM 1998 CG HIS A 125 17.776 7.538 0.130 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.543 8.604 0.543 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.088 6.515 0.959 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.280 8.242 1.572 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.024 6.979 1.848 1.00 2.12 N ATOM 0 H HIS A 125 18.712 7.800 -2.568 1.00 0.96 H new ATOM 0 HA HIS A 125 17.137 5.628 -1.716 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.823 8.639 -1.403 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.790 7.476 -0.593 1.00 0.85 H new ATOM 0 HD1 HIS A 125 18.541 9.531 0.117 1.00 1.80 H new ATOM 0 HD2 HIS A 125 17.676 5.517 0.927 1.00 1.80 H new ATOM 0 HE1 HIS A 125 19.978 8.874 2.101 1.00 2.14 H new ATOM 2011 N ALA A 126 15.733 7.704 -3.880 1.00 0.77 N ATOM 2012 CA ALA A 126 14.610 7.878 -4.792 1.00 0.80 C ATOM 2013 C ALA A 126 14.498 6.712 -5.768 1.00 0.86 C ATOM 2014 O ALA A 126 13.425 6.137 -5.936 1.00 0.92 O ATOM 2015 CB ALA A 126 14.747 9.195 -5.540 1.00 0.92 C ATOM 0 H ALA A 126 16.430 8.447 -3.926 1.00 0.77 H new ATOM 0 HA ALA A 126 13.693 7.899 -4.203 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.903 9.317 -6.219 1.00 0.92 H new ATOM 0 HB2 ALA A 126 14.760 10.019 -4.827 1.00 0.92 H new ATOM 0 HB3 ALA A 126 15.676 9.194 -6.111 1.00 0.92 H new ATOM 2021 N LYS A 127 15.612 6.347 -6.393 1.00 0.92 N ATOM 2022 CA LYS A 127 15.613 5.277 -7.379 1.00 1.05 C ATOM 2023 C LYS A 127 15.274 3.943 -6.733 1.00 0.97 C ATOM 2024 O LYS A 127 14.462 3.192 -7.263 1.00 1.04 O ATOM 2025 CB LYS A 127 16.963 5.176 -8.093 1.00 1.26 C ATOM 2026 CG LYS A 127 16.953 4.194 -9.256 1.00 1.55 C ATOM 2027 CD LYS A 127 18.338 3.987 -9.840 1.00 1.93 C ATOM 2028 CE LYS A 127 18.290 3.055 -11.042 1.00 2.38 C ATOM 2029 NZ LYS A 127 19.644 2.760 -11.578 1.00 2.83 N ATOM 0 H LYS A 127 16.523 6.776 -6.234 1.00 0.92 H new ATOM 0 HA LYS A 127 14.849 5.518 -8.117 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.247 6.162 -8.461 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.725 4.872 -7.375 1.00 1.26 H new ATOM 0 HG2 LYS A 127 16.556 3.237 -8.918 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.283 4.561 -10.034 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.758 4.948 -10.137 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.999 3.571 -9.079 1.00 1.93 H new ATOM 0 HE2 LYS A 127 17.803 2.122 -10.757 1.00 2.38 H new ATOM 0 HE3 LYS A 127 17.681 3.506 -11.826 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.562 2.122 -12.395 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.101 3.646 -11.875 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 20.218 2.305 -10.840 1.00 2.83 H new ATOM 2043 N ARG A 128 15.881 3.654 -5.579 1.00 0.94 N ATOM 2044 CA ARG A 128 15.667 2.373 -4.911 1.00 1.00 C ATOM 2045 C ARG A 128 14.185 2.166 -4.603 1.00 0.97 C ATOM 2046 O ARG A 128 13.681 1.049 -4.663 1.00 1.09 O ATOM 2047 CB ARG A 128 16.503 2.275 -3.629 1.00 1.14 C ATOM 2048 CG ARG A 128 16.043 3.201 -2.518 1.00 1.11 C ATOM 2049 CD ARG A 128 16.883 3.061 -1.265 1.00 1.34 C ATOM 2050 NE ARG A 128 18.243 3.557 -1.433 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.220 3.334 -0.551 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.001 2.567 0.512 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.413 3.867 -0.730 1.00 2.59 N ATOM 0 H ARG A 128 16.518 4.285 -5.093 1.00 0.94 H new ATOM 0 HA ARG A 128 15.992 1.583 -5.588 1.00 1.00 H new ATOM 0 HB2 ARG A 128 16.474 1.247 -3.267 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.543 2.500 -3.868 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.086 4.233 -2.867 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.001 2.988 -2.279 1.00 1.11 H new ATOM 0 HD2 ARG A 128 16.403 3.602 -0.450 1.00 1.34 H new ATOM 0 HD3 ARG A 128 16.918 2.011 -0.973 1.00 1.34 H new ATOM 0 HE ARG A 128 18.459 4.102 -2.267 1.00 1.59 H new ATOM 0 HH11 ARG A 128 18.083 2.146 0.657 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.751 2.399 1.183 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.593 4.453 -1.545 1.00 2.59 H new ATOM 0 HH22 ARG A 128 21.156 3.693 -0.053 1.00 2.59 H new ATOM 2067 N VAL A 129 13.485 3.254 -4.299 1.00 0.91 N ATOM 2068 CA VAL A 129 12.054 3.184 -4.049 1.00 1.04 C ATOM 2069 C VAL A 129 11.278 3.117 -5.364 1.00 1.04 C ATOM 2070 O VAL A 129 10.417 2.249 -5.549 1.00 1.19 O ATOM 2071 CB VAL A 129 11.570 4.399 -3.222 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.066 4.351 -3.001 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.303 4.468 -1.890 1.00 1.48 C ATOM 0 H VAL A 129 13.885 4.189 -4.221 1.00 0.91 H new ATOM 0 HA VAL A 129 11.866 2.276 -3.476 1.00 1.04 H new ATOM 0 HB VAL A 129 11.797 5.301 -3.790 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.756 5.218 -2.417 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.556 4.362 -3.964 1.00 1.43 H new ATOM 0 HG13 VAL A 129 9.806 3.439 -2.463 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.948 5.329 -1.324 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.113 3.557 -1.322 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.374 4.567 -2.069 1.00 1.48 H new ATOM 2083 N ARG A 130 11.613 4.017 -6.288 1.00 0.99 N ATOM 2084 CA ARG A 130 10.933 4.100 -7.580 1.00 1.14 C ATOM 2085 C ARG A 130 11.097 2.822 -8.392 1.00 1.05 C ATOM 2086 O ARG A 130 10.332 2.575 -9.322 1.00 1.24 O ATOM 2087 CB ARG A 130 11.443 5.294 -8.388 1.00 1.30 C ATOM 2088 CG ARG A 130 11.003 6.636 -7.826 1.00 1.75 C ATOM 2089 CD ARG A 130 11.526 7.792 -8.664 1.00 1.86 C ATOM 2090 NE ARG A 130 11.131 7.671 -10.068 1.00 2.36 N ATOM 2091 CZ ARG A 130 10.713 8.684 -10.823 1.00 2.92 C ATOM 2092 NH1 ARG A 130 10.606 9.906 -10.314 1.00 3.04 N ATOM 2093 NH2 ARG A 130 10.408 8.469 -12.095 1.00 3.83 N ATOM 0 H ARG A 130 12.357 4.704 -6.164 1.00 0.99 H new ATOM 0 HA ARG A 130 9.872 4.235 -7.371 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.532 5.262 -8.421 1.00 1.30 H new ATOM 0 HB3 ARG A 130 11.090 5.205 -9.415 1.00 1.30 H new ATOM 0 HG2 ARG A 130 9.914 6.676 -7.789 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.361 6.737 -6.801 1.00 1.75 H new ATOM 0 HD2 ARG A 130 11.150 8.732 -8.261 1.00 1.86 H new ATOM 0 HD3 ARG A 130 12.613 7.828 -8.595 1.00 1.86 H new ATOM 0 HE ARG A 130 11.179 6.747 -10.497 1.00 2.36 H new ATOM 0 HH11 ARG A 130 10.845 10.074 -9.337 1.00 3.04 H new ATOM 0 HH12 ARG A 130 10.285 10.676 -10.900 1.00 3.04 H new ATOM 0 HH21 ARG A 130 10.494 7.532 -12.489 1.00 3.83 H new ATOM 0 HH22 ARG A 130 10.087 9.240 -12.680 1.00 3.83 H new ATOM 2107 N ASN A 131 12.083 2.012 -8.018 1.00 0.85 N ATOM 2108 CA ASN A 131 12.348 0.742 -8.690 1.00 0.88 C ATOM 2109 C ASN A 131 11.091 -0.112 -8.786 1.00 1.08 C ATOM 2110 O ASN A 131 10.775 -0.655 -9.843 1.00 1.24 O ATOM 2111 CB ASN A 131 13.419 -0.057 -7.945 1.00 0.88 C ATOM 2112 CG ASN A 131 14.792 0.037 -8.581 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.070 -0.627 -9.577 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.669 0.816 -7.982 1.00 2.04 N ATOM 0 H ASN A 131 12.718 2.215 -7.246 1.00 0.85 H new ATOM 0 HA ASN A 131 12.696 0.985 -9.694 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.478 0.300 -6.917 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.117 -1.104 -7.903 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.620 0.885 -8.343 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.397 1.351 -7.157 1.00 2.04 H new ATOM 2121 N GLY A 132 10.373 -0.230 -7.680 1.00 1.23 N ATOM 2122 CA GLY A 132 9.205 -1.083 -7.660 1.00 1.61 C ATOM 2123 C GLY A 132 7.909 -0.314 -7.522 1.00 1.21 C ATOM 2124 O GLY A 132 6.829 -0.855 -7.768 1.00 1.24 O ATOM 0 H GLY A 132 10.577 0.246 -6.801 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.176 -1.670 -8.578 1.00 1.61 H new ATOM 0 HA3 GLY A 132 9.292 -1.788 -6.833 1.00 1.61 H new ATOM 2128 N MET A 133 8.002 0.947 -7.121 1.00 1.24 N ATOM 2129 CA MET A 133 6.805 1.733 -6.876 1.00 1.38 C ATOM 2130 C MET A 133 6.207 2.294 -8.170 1.00 1.35 C ATOM 2131 O MET A 133 4.991 2.333 -8.320 1.00 1.56 O ATOM 2132 CB MET A 133 7.074 2.881 -5.892 1.00 2.06 C ATOM 2133 CG MET A 133 7.847 4.047 -6.488 1.00 2.92 C ATOM 2134 SD MET A 133 7.894 5.484 -5.404 1.00 3.99 S ATOM 2135 CE MET A 133 6.151 5.881 -5.295 1.00 4.83 C ATOM 0 H MET A 133 8.881 1.440 -6.961 1.00 1.24 H new ATOM 0 HA MET A 133 6.080 1.051 -6.432 1.00 1.38 H new ATOM 0 HB2 MET A 133 6.121 3.249 -5.511 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.629 2.490 -5.039 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.867 3.728 -6.704 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.393 4.329 -7.438 1.00 2.92 H new ATOM 0 HE1 MET A 133 6.033 6.935 -5.041 1.00 4.83 H new ATOM 0 HE2 MET A 133 5.672 5.683 -6.254 1.00 4.83 H new ATOM 0 HE3 MET A 133 5.686 5.268 -4.523 1.00 4.83 H new ATOM 2145 N ASP A 134 7.061 2.691 -9.117 1.00 1.38 N ATOM 2146 CA ASP A 134 6.632 3.563 -10.222 1.00 1.84 C ATOM 2147 C ASP A 134 5.759 2.839 -11.248 1.00 1.95 C ATOM 2148 O ASP A 134 4.932 3.464 -11.915 1.00 2.41 O ATOM 2149 CB ASP A 134 7.846 4.204 -10.915 1.00 2.05 C ATOM 2150 CG ASP A 134 8.381 3.396 -12.085 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.922 2.295 -11.849 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.255 3.845 -13.242 1.00 2.28 O ATOM 0 H ASP A 134 8.046 2.427 -9.144 1.00 1.38 H new ATOM 0 HA ASP A 134 6.018 4.345 -9.776 1.00 1.84 H new ATOM 0 HB2 ASP A 134 7.569 5.197 -11.268 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.642 4.337 -10.183 1.00 2.05 H new ATOM 2157 N LYS A 135 5.932 1.535 -11.382 1.00 1.70 N ATOM 2158 CA LYS A 135 5.153 0.773 -12.350 1.00 2.03 C ATOM 2159 C LYS A 135 4.041 -0.016 -11.659 1.00 1.70 C ATOM 2160 O LYS A 135 3.082 -0.457 -12.295 1.00 2.17 O ATOM 2161 CB LYS A 135 6.067 -0.171 -13.146 1.00 2.40 C ATOM 2162 CG LYS A 135 5.354 -0.916 -14.262 1.00 3.08 C ATOM 2163 CD LYS A 135 4.653 0.051 -15.204 1.00 3.44 C ATOM 2164 CE LYS A 135 3.729 -0.672 -16.170 1.00 3.61 C ATOM 2165 NZ LYS A 135 2.932 0.283 -16.981 1.00 4.15 N ATOM 0 H LYS A 135 6.597 0.984 -10.840 1.00 1.70 H new ATOM 0 HA LYS A 135 4.688 1.476 -13.041 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.887 0.406 -13.573 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.509 -0.896 -12.462 1.00 2.40 H new ATOM 0 HG2 LYS A 135 6.073 -1.516 -14.820 1.00 3.08 H new ATOM 0 HG3 LYS A 135 4.626 -1.606 -13.836 1.00 3.08 H new ATOM 0 HD2 LYS A 135 4.079 0.773 -14.623 1.00 3.44 H new ATOM 0 HD3 LYS A 135 5.397 0.615 -15.766 1.00 3.44 H new ATOM 0 HE2 LYS A 135 4.318 -1.308 -16.831 1.00 3.61 H new ATOM 0 HE3 LYS A 135 3.058 -1.326 -15.613 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 2.313 -0.244 -17.629 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 2.352 0.873 -16.351 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 3.573 0.890 -17.531 1.00 4.15 H new ATOM 2179 N GLY A 136 4.153 -0.155 -10.351 1.00 1.04 N ATOM 2180 CA GLY A 136 3.218 -0.979 -9.620 1.00 0.79 C ATOM 2181 C GLY A 136 2.197 -0.175 -8.847 1.00 0.65 C ATOM 2182 O GLY A 136 1.000 -0.344 -9.048 1.00 0.57 O ATOM 0 H GLY A 136 4.874 0.288 -9.781 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.701 -1.637 -10.318 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.769 -1.617 -8.928 1.00 0.79 H new ATOM 2186 N TRP A 137 2.677 0.721 -7.993 1.00 0.68 N ATOM 2187 CA TRP A 137 1.830 1.434 -7.034 1.00 0.67 C ATOM 2188 C TRP A 137 0.671 2.189 -7.712 1.00 0.57 C ATOM 2189 O TRP A 137 -0.484 1.992 -7.333 1.00 0.56 O ATOM 2190 CB TRP A 137 2.688 2.388 -6.193 1.00 0.81 C ATOM 2191 CG TRP A 137 2.019 2.867 -4.943 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.398 2.099 -4.001 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.929 4.219 -4.483 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.921 2.891 -2.986 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.235 4.198 -3.258 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.367 5.445 -4.989 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.971 5.356 -2.535 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.104 6.594 -4.269 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.413 6.544 -3.054 1.00 2.32 C ATOM 0 H TRP A 137 3.663 0.976 -7.943 1.00 0.68 H new ATOM 0 HA TRP A 137 1.371 0.690 -6.383 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.617 1.884 -5.926 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.957 3.251 -6.802 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.297 1.025 -4.047 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.416 2.561 -2.164 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.902 5.494 -5.926 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.436 5.320 -1.597 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.438 7.548 -4.651 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.224 7.460 -2.514 1.00 2.32 H new ATOM 2210 N PRO A 138 0.937 3.056 -8.721 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.133 3.768 -9.432 1.00 0.61 C ATOM 2212 C PRO A 138 -1.112 2.802 -10.092 1.00 0.58 C ATOM 2213 O PRO A 138 -2.327 2.957 -9.976 1.00 0.64 O ATOM 2214 CB PRO A 138 0.608 4.590 -10.497 1.00 0.68 C ATOM 2215 CG PRO A 138 1.951 3.957 -10.609 1.00 0.66 C ATOM 2216 CD PRO A 138 2.265 3.422 -9.245 1.00 0.63 C ATOM 0 HA PRO A 138 -0.731 4.380 -8.757 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.080 4.567 -11.451 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.688 5.636 -10.202 1.00 0.68 H new ATOM 0 HG2 PRO A 138 1.946 3.158 -11.351 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.700 4.682 -10.927 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.932 2.561 -9.292 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.754 4.170 -8.620 1.00 0.63 H new ATOM 2224 N THR A 139 -0.563 1.789 -10.754 1.00 0.57 N ATOM 2225 CA THR A 139 -1.357 0.778 -11.438 1.00 0.62 C ATOM 2226 C THR A 139 -2.257 0.044 -10.441 1.00 0.54 C ATOM 2227 O THR A 139 -3.435 -0.251 -10.720 1.00 0.55 O ATOM 2228 CB THR A 139 -0.427 -0.231 -12.137 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.597 0.473 -12.854 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.203 -1.121 -13.093 1.00 0.87 C ATOM 0 H THR A 139 0.444 1.647 -10.831 1.00 0.57 H new ATOM 0 HA THR A 139 -1.983 1.270 -12.183 1.00 0.62 H new ATOM 0 HB THR A 139 0.026 -0.864 -11.374 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.461 0.034 -12.706 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.520 -1.823 -13.572 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.963 -1.673 -12.540 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.683 -0.506 -13.854 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.690 -0.230 -9.270 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.425 -0.844 -8.182 1.00 0.47 C ATOM 2240 C ILE A 140 -3.651 -0.018 -7.853 1.00 0.42 C ATOM 2241 O ILE A 140 -4.737 -0.558 -7.722 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.557 -0.996 -6.910 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.469 -2.054 -7.124 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.419 -1.347 -5.704 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.415 -2.276 -5.916 1.00 0.72 C ATOM 0 H ILE A 140 -0.713 -0.032 -9.054 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.721 -1.840 -8.512 1.00 0.47 H new ATOM 0 HB ILE A 140 -1.072 -0.040 -6.712 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.942 -2.998 -7.395 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.153 -1.756 -7.968 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.787 -1.449 -4.822 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -3.150 -0.556 -5.537 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.938 -2.288 -5.889 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.160 -3.038 -6.145 1.00 0.72 H new ATOM 0 HD12 ILE A 140 0.918 -1.344 -5.657 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.195 -2.606 -5.075 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.471 1.294 -7.765 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.550 2.199 -7.378 1.00 0.36 C ATOM 2259 C LEU A 141 -5.738 2.107 -8.332 1.00 0.38 C ATOM 2260 O LEU A 141 -6.883 2.223 -7.904 1.00 0.42 O ATOM 2261 CB LEU A 141 -4.046 3.643 -7.309 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.846 3.872 -6.386 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.556 5.361 -6.250 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.084 3.233 -5.021 1.00 0.56 C ATOM 0 H LEU A 141 -2.584 1.759 -7.957 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.889 1.891 -6.389 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.777 3.965 -8.315 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.865 4.281 -6.978 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.972 3.395 -6.830 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.700 5.506 -5.591 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.333 5.779 -7.231 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.427 5.864 -5.830 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.219 3.408 -4.382 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.969 3.674 -4.562 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.234 2.160 -5.143 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.468 1.886 -9.613 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.536 1.758 -10.604 1.00 0.48 C ATOM 2278 C GLN A 142 -7.352 0.496 -10.354 1.00 0.47 C ATOM 2279 O GLN A 142 -8.571 0.557 -10.168 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.969 1.751 -12.033 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.733 3.137 -12.627 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.557 3.867 -12.010 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.427 3.753 -12.481 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.816 4.648 -10.973 1.00 0.77 N ATOM 0 H GLN A 142 -4.525 1.792 -9.991 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.190 2.624 -10.502 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -5.026 1.204 -12.034 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.655 1.204 -12.680 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.568 3.040 -13.700 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.633 3.738 -12.496 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.767 4.716 -10.611 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.064 5.182 -10.536 1.00 0.77 H new ATOM 2293 N SER A 143 -6.682 -0.645 -10.326 1.00 0.49 N ATOM 2294 CA SER A 143 -7.357 -1.908 -10.052 1.00 0.53 C ATOM 2295 C SER A 143 -7.843 -1.971 -8.605 1.00 0.45 C ATOM 2296 O SER A 143 -8.724 -2.759 -8.274 1.00 0.46 O ATOM 2297 CB SER A 143 -6.446 -3.083 -10.381 1.00 0.64 C ATOM 2298 OG SER A 143 -6.347 -3.267 -11.782 1.00 1.15 O ATOM 0 H SER A 143 -5.678 -0.725 -10.488 1.00 0.49 H new ATOM 0 HA SER A 143 -8.235 -1.971 -10.694 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.455 -2.909 -9.962 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.833 -3.990 -9.917 1.00 0.64 H new ATOM 0 HG SER A 143 -5.756 -4.025 -11.971 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.243 -1.158 -7.746 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.674 -1.034 -6.363 1.00 0.36 C ATOM 2306 C PHE A 144 -9.108 -0.506 -6.309 1.00 0.32 C ATOM 2307 O PHE A 144 -9.979 -1.105 -5.678 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.724 -0.095 -5.607 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.182 0.297 -4.232 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.294 -0.656 -3.232 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.506 1.609 -3.941 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.720 -0.307 -1.967 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.932 1.965 -2.677 1.00 0.68 C ATOM 2314 CZ PHE A 144 -8.014 1.038 -1.689 1.00 0.78 C ATOM 0 H PHE A 144 -6.447 -0.568 -7.988 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.649 -2.014 -5.887 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.750 -0.577 -5.526 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.584 0.810 -6.199 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -7.045 -1.685 -3.446 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.425 2.363 -4.710 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.826 -1.059 -1.199 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.202 2.990 -2.472 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.305 1.334 -0.692 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.341 0.608 -7.002 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.676 1.198 -7.112 1.00 0.31 C ATOM 2326 C GLN A 145 -11.629 0.212 -7.768 1.00 0.35 C ATOM 2327 O GLN A 145 -12.803 0.128 -7.417 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.618 2.467 -7.959 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.636 3.496 -7.441 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.322 4.566 -8.468 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -8.076 5.007 -8.501 1.00 1.63 O flip ATOM 2332 NE2 GLN A 145 -10.181 4.959 -9.255 1.00 0.66 N flip ATOM 0 H GLN A 145 -8.616 1.124 -7.500 1.00 0.29 H new ATOM 0 HA GLN A 145 -11.031 1.440 -6.110 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -10.347 2.200 -8.980 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.612 2.913 -7.999 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.044 3.965 -6.546 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.713 2.997 -7.147 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -11.132 4.594 -9.197 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -9.943 5.650 -9.966 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.091 -0.534 -8.718 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.865 -1.492 -9.500 1.00 0.43 C ATOM 2343 C ASP A 146 -12.255 -2.702 -8.660 1.00 0.40 C ATOM 2344 O ASP A 146 -13.376 -3.201 -8.756 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.060 -1.934 -10.723 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.807 -2.925 -11.588 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.776 -2.516 -12.262 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.439 -4.119 -11.582 1.00 1.46 O ATOM 0 H ASP A 146 -10.104 -0.495 -8.972 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.782 -1.004 -9.829 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.804 -1.059 -11.320 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.122 -2.381 -10.393 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.334 -3.168 -7.827 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.615 -4.279 -6.933 1.00 0.51 C ATOM 2355 C LYS A 147 -12.669 -3.864 -5.917 1.00 0.48 C ATOM 2356 O LYS A 147 -13.545 -4.645 -5.553 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.343 -4.741 -6.211 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.541 -6.018 -5.415 1.00 0.92 C ATOM 2359 CD LYS A 147 -10.967 -7.152 -6.327 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.606 -8.291 -5.558 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.128 -9.340 -6.473 1.00 1.74 N ATOM 0 H LYS A 147 -10.388 -2.794 -7.753 1.00 0.42 H new ATOM 0 HA LYS A 147 -11.989 -5.113 -7.526 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.552 -4.896 -6.945 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.005 -3.951 -5.541 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.615 -6.282 -4.904 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.296 -5.860 -4.645 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -11.671 -6.775 -7.069 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.099 -7.524 -6.872 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -10.874 -8.730 -4.880 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -12.419 -7.905 -4.943 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -12.860 -9.894 -5.984 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -12.539 -8.892 -7.317 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -11.351 -9.969 -6.759 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.578 -2.619 -5.476 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.553 -2.056 -4.559 1.00 0.40 C ATOM 2377 C ILE A 148 -14.873 -1.793 -5.276 1.00 0.42 C ATOM 2378 O ILE A 148 -15.940 -1.787 -4.665 1.00 0.50 O ATOM 2379 CB ILE A 148 -13.030 -0.751 -3.931 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.791 -1.036 -3.086 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.107 -0.093 -3.083 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.208 0.197 -2.435 1.00 0.37 C ATOM 0 H ILE A 148 -11.832 -1.976 -5.742 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.720 -2.781 -3.763 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.760 -0.065 -4.734 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.048 -1.759 -2.312 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.031 -1.499 -3.715 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.716 0.827 -2.649 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.971 0.138 -3.707 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.407 -0.772 -2.285 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.331 -0.080 -1.851 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.920 0.913 -3.205 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.952 0.649 -1.780 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.797 -1.593 -6.581 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.989 -1.408 -7.393 1.00 0.49 C ATOM 2396 C ASP A 149 -16.843 -2.669 -7.340 1.00 0.55 C ATOM 2397 O ASP A 149 -18.068 -2.608 -7.404 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.604 -1.080 -8.836 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.790 -0.670 -9.679 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.407 0.368 -9.369 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.084 -1.364 -10.673 1.00 0.77 O ATOM 0 H ASP A 149 -13.921 -1.554 -7.102 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.566 -0.572 -6.997 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.868 -0.276 -8.837 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.127 -1.950 -9.287 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.174 -3.813 -7.187 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.855 -5.090 -7.013 1.00 0.68 C ATOM 2408 C GLU A 150 -17.521 -5.148 -5.646 1.00 0.75 C ATOM 2409 O GLU A 150 -18.549 -5.797 -5.465 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.873 -6.254 -7.127 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.186 -6.366 -8.470 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.388 -7.643 -8.589 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.152 -7.598 -8.434 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -15.001 -8.707 -8.813 1.00 1.50 O ATOM 0 H GLU A 150 -15.156 -3.877 -7.181 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.605 -5.175 -7.799 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.114 -6.149 -6.352 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.406 -7.183 -6.927 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.932 -6.329 -9.264 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.526 -5.511 -8.613 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.915 -4.460 -4.690 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.401 -4.440 -3.317 1.00 0.84 C ATOM 2423 C GLU A 151 -18.636 -3.561 -3.226 1.00 0.88 C ATOM 2424 O GLU A 151 -19.567 -3.843 -2.473 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.315 -3.908 -2.374 1.00 0.86 C ATOM 2426 CG GLU A 151 -14.977 -4.623 -2.503 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.033 -6.069 -2.062 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.604 -6.899 -2.801 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -14.509 -6.391 -0.977 1.00 1.63 O ATOM 0 H GLU A 151 -16.075 -3.901 -4.842 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.656 -5.457 -3.018 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.168 -2.846 -2.569 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.665 -3.998 -1.346 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.646 -4.578 -3.541 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.231 -4.096 -1.908 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.625 -2.489 -4.003 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.764 -1.604 -4.066 1.00 0.96 C ATOM 2438 C GLY A 152 -20.860 -2.168 -4.938 1.00 1.04 C ATOM 2439 O GLY A 152 -21.850 -2.701 -4.433 1.00 1.32 O ATOM 0 H GLY A 152 -17.840 -2.216 -4.595 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.149 -1.434 -3.061 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.451 -0.635 -4.455 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.672 -2.081 -6.249 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.664 -2.559 -7.197 1.00 1.47 C ATOM 2445 C ALA A 153 -21.083 -2.633 -8.603 1.00 1.29 C ATOM 2446 O ALA A 153 -21.178 -1.681 -9.379 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.893 -1.662 -7.180 1.00 1.92 C ATOM 0 H ALA A 153 -19.837 -1.682 -6.679 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.960 -3.564 -6.897 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.625 -2.035 -7.896 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.329 -1.662 -6.181 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.606 -0.646 -7.451 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.454 -3.753 -8.919 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.923 -3.967 -10.256 1.00 1.02 C ATOM 2455 C LYS A 154 -20.775 -4.992 -10.995 1.00 1.38 C ATOM 2456 O LYS A 154 -21.347 -4.687 -12.039 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.460 -4.423 -10.200 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.846 -4.655 -11.573 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.406 -5.128 -11.477 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.465 -4.015 -11.031 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.383 -2.918 -12.029 1.00 1.32 N ATOM 0 H LYS A 154 -20.299 -4.525 -8.271 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.957 -3.021 -10.797 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.873 -3.673 -9.670 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.396 -5.345 -9.621 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.436 -5.395 -12.114 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.887 -3.731 -12.150 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.344 -5.958 -10.773 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.084 -5.507 -12.447 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.807 -3.612 -10.078 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.470 -4.428 -10.864 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.449 -2.464 -11.970 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.520 -3.306 -12.984 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -16.123 -2.214 -11.832 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.865 -6.194 -10.424 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.667 -7.287 -10.981 1.00 2.44 C ATOM 2477 C LYS A 155 -21.114 -7.743 -12.327 1.00 3.14 C ATOM 2478 O LYS A 155 -21.755 -7.477 -13.363 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.148 -6.899 -11.127 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.900 -6.772 -9.810 1.00 2.95 C ATOM 2481 CD LYS A 155 -23.550 -5.489 -9.075 1.00 3.46 C ATOM 2482 CE LYS A 155 -24.204 -5.432 -7.707 1.00 3.45 C ATOM 2483 NZ LYS A 155 -23.699 -6.499 -6.801 1.00 4.22 N ATOM 2484 OXT LYS A 155 -20.037 -8.370 -12.342 1.00 3.60 O ATOM 0 H LYS A 155 -20.383 -6.439 -9.559 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.604 -8.114 -10.274 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -23.211 -5.950 -11.660 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -23.647 -7.645 -11.745 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -24.973 -6.799 -10.001 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -23.668 -7.628 -9.176 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -22.468 -5.416 -8.965 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.869 -4.631 -9.667 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -24.018 -4.457 -7.257 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -25.284 -5.532 -7.817 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -23.954 -6.270 -5.819 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -24.125 -7.410 -7.066 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -22.664 -6.564 -6.884 1.00 4.22 H new