USER MOD reduce.3.24.130724 H: found=0, std=0, add=1328, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1330 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 164 ASN : amide:sc= 0.418 K(o=0.81,f=0) USER MOD Set 1.2: A 165 ASN : amide:sc= 0.393 K(o=0.81,f=-2.5!) USER MOD Set 2.1: A 54 THR OG1 : rot 140:sc= 0.22 USER MOD Set 2.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 124 GLN : amide:sc= -1.63! C(o=-1.6!,f=-5.7!) USER MOD Set 3.2: A 131 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-1.6) USER MOD Set 4.1: A 105 SER OG : rot 180:sc= 1.05 USER MOD Set 4.2: A 126 THR OG1 : rot 134:sc= 1.17 USER MOD Set 5.1: A 86 SER OG : rot -140:sc= 0.768 USER MOD Set 5.2: A 91 GLN : amide:sc= -0.322 K(o=0.45,f=-1.7) USER MOD Set 6.1: A 59 GLN : amide:sc= 0.86 K(o=0.43,f=-0.54) USER MOD Set 6.2: A 65 ASN : amide:sc= -0.428 K(o=0.43,f=-0.22!) USER MOD Single : A 15 SER OG : rot 86:sc= 1.13 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.56 F(o=-5.2!,f=-1.6) USER MOD Single : A 24 THR OG1 : rot -91:sc= 0.0884 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.587 F(o=-2.5!,f=-0.59) USER MOD Single : A 39 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.16) USER MOD Single : A 42 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.4) USER MOD Single : A 43 LYS NZ :NH3+ -111:sc= 0.953 (180deg=-0.384) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 47 SER OG : rot 61:sc= 2.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -130:sc= -4.88! (180deg=-5.89!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -63:sc= 0.796 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.34 F(o=-4.7!,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 3:sc= 0.158 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 160:sc= -0.0292 USER MOD Single : A 96 ASN : amide:sc= -0.0305 X(o=-0.03,f=-0.03) USER MOD Single : A 98 HIS : no HD1:sc= -0.324 X(o=-0.32,f=0.065) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.58! C(o=-1.6!,f=-4!) USER MOD Single : A 104 GLN : amide:sc= -2.97! C(o=-3!,f=-9!) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 109 GLN :FLIP amide:sc= -6.92! C(o=-13!,f=-6.9!) USER MOD Single : A 113 THR OG1 : rot 169:sc= 0.986 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0714 F(o=-0.74,f=-0.071) USER MOD Single : A 120 MET CE :methyl -172:sc= -0.0426 (180deg=-0.24) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0995 USER MOD Single : A 129 ASN :FLIP amide:sc= 0.491 F(o=-0.34,f=0.49) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -154:sc= -1.72! (180deg=-3.83!) USER MOD Single : A 136 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 142 LYS NZ :NH3+ -127:sc= -0.104 (180deg=-0.568) USER MOD Single : A 145 SER OG : rot 180:sc= 0.00874 USER MOD Single : A 149 LYS NZ :NH3+ 165:sc= 0.00395 (180deg=0) USER MOD Single : A 154 SER OG : rot 84:sc= 1.26 USER MOD Single : A 157 LYS NZ :NH3+ -148:sc= 0.433 (180deg=-1.02!) USER MOD Single : A 158 SER OG : rot 58:sc= 0.789 USER MOD Single : A 162 LYS NZ :NH3+ -147:sc= -3.23! (180deg=-5.28!) USER MOD Single : A 169 SER OG : rot -55:sc= -0.374! USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 -16.840 8.124 -0.900 1.00 0.58 N ATOM 89 CA LEU A 7 -15.704 7.920 -0.020 1.00 0.51 C ATOM 90 C LEU A 7 -16.149 7.351 1.325 1.00 0.45 C ATOM 91 O LEU A 7 -17.179 7.743 1.881 1.00 0.49 O ATOM 92 CB LEU A 7 -14.920 9.237 0.162 1.00 0.52 C ATOM 93 CG LEU A 7 -15.742 10.449 0.617 1.00 0.80 C ATOM 94 CD1 LEU A 7 -15.868 10.479 2.131 1.00 1.73 C ATOM 95 CD2 LEU A 7 -15.119 11.737 0.104 1.00 1.08 C ATOM 0 HA LEU A 7 -15.039 7.190 -0.481 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.126 9.067 0.889 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.438 9.484 -0.784 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.744 10.360 0.197 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -16.455 11.347 2.430 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -16.364 9.571 2.473 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -14.876 10.541 2.578 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.715 12.587 0.436 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -14.105 11.831 0.493 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -15.089 11.718 -0.985 1.00 1.08 H new ATOM 107 N ILE A 8 -15.390 6.389 1.805 1.00 0.43 N ATOM 108 CA ILE A 8 -15.545 5.881 3.150 1.00 0.40 C ATOM 109 C ILE A 8 -14.708 6.758 4.047 1.00 0.40 C ATOM 110 O ILE A 8 -13.650 7.218 3.626 1.00 0.62 O ATOM 111 CB ILE A 8 -15.096 4.389 3.240 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.081 3.518 2.454 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.995 3.879 4.687 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.692 2.057 2.394 1.00 0.47 C ATOM 0 H ILE A 8 -14.647 5.937 1.272 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.591 5.906 3.456 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.096 4.325 2.812 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -17.068 3.603 2.908 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.163 3.905 1.438 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -14.679 2.836 4.684 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -14.266 4.478 5.234 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -15.968 3.961 5.171 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.437 1.505 1.821 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -14.719 1.959 1.913 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.639 1.653 3.405 1.00 0.47 H new ATOM 126 N PRO A 9 -15.208 7.004 5.267 1.00 0.31 N ATOM 127 CA PRO A 9 -14.605 7.824 6.305 1.00 0.28 C ATOM 128 C PRO A 9 -13.161 8.239 6.034 1.00 0.32 C ATOM 129 O PRO A 9 -12.231 7.630 6.553 1.00 0.38 O ATOM 130 CB PRO A 9 -14.696 6.822 7.442 1.00 0.31 C ATOM 131 CG PRO A 9 -16.032 6.162 7.242 1.00 0.35 C ATOM 132 CD PRO A 9 -16.420 6.404 5.801 1.00 0.35 C ATOM 0 HA PRO A 9 -15.084 8.792 6.450 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.883 6.097 7.401 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.636 7.314 8.413 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.973 5.094 7.454 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.776 6.580 7.920 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.680 5.479 5.286 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.279 7.070 5.714 1.00 0.35 H new ATOM 140 N ALA A 10 -12.998 9.299 5.244 1.00 0.36 N ATOM 141 CA ALA A 10 -11.695 9.696 4.725 1.00 0.44 C ATOM 142 C ALA A 10 -10.841 10.391 5.789 1.00 0.42 C ATOM 143 O ALA A 10 -11.114 11.526 6.179 1.00 0.53 O ATOM 144 CB ALA A 10 -11.874 10.593 3.503 1.00 0.62 C ATOM 0 H ALA A 10 -13.764 9.904 4.948 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.162 8.792 4.431 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.896 10.886 3.120 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.419 10.051 2.730 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.435 11.484 3.785 1.00 0.62 H new ATOM 150 N PRO A 11 -9.807 9.694 6.283 1.00 0.35 N ATOM 151 CA PRO A 11 -8.851 10.211 7.247 1.00 0.35 C ATOM 152 C PRO A 11 -7.609 10.771 6.560 1.00 0.39 C ATOM 153 O PRO A 11 -6.974 10.086 5.761 1.00 0.45 O ATOM 154 CB PRO A 11 -8.490 8.956 8.069 1.00 0.35 C ATOM 155 CG PRO A 11 -9.025 7.787 7.296 1.00 0.41 C ATOM 156 CD PRO A 11 -9.477 8.316 5.964 1.00 0.38 C ATOM 0 HA PRO A 11 -9.250 11.032 7.842 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.411 8.874 8.203 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.932 9.001 9.064 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.257 7.024 7.168 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.854 7.319 7.827 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.692 8.248 5.210 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.337 7.769 5.578 1.00 0.38 H new ATOM 164 N PRO A 12 -7.261 12.032 6.842 1.00 0.42 N ATOM 165 CA PRO A 12 -6.050 12.653 6.308 1.00 0.46 C ATOM 166 C PRO A 12 -4.786 12.011 6.866 1.00 0.44 C ATOM 167 O PRO A 12 -4.857 11.244 7.831 1.00 0.41 O ATOM 168 CB PRO A 12 -6.138 14.123 6.742 1.00 0.50 C ATOM 169 CG PRO A 12 -7.541 14.310 7.228 1.00 0.55 C ATOM 170 CD PRO A 12 -8.015 12.960 7.694 1.00 0.48 C ATOM 0 HA PRO A 12 -5.990 12.534 5.226 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.417 14.344 7.529 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.918 14.792 5.910 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.577 15.035 8.041 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -8.180 14.692 6.432 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.802 12.801 8.751 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -9.091 12.843 7.564 1.00 0.48 H new ATOM 178 N LEU A 13 -3.652 12.328 6.262 1.00 0.50 N ATOM 179 CA LEU A 13 -2.341 11.813 6.675 1.00 0.51 C ATOM 180 C LEU A 13 -2.215 11.815 8.194 1.00 0.49 C ATOM 181 O LEU A 13 -1.761 10.853 8.800 1.00 0.48 O ATOM 182 CB LEU A 13 -1.273 12.755 6.091 1.00 0.61 C ATOM 183 CG LEU A 13 0.192 12.269 6.075 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.688 11.951 7.477 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.356 11.061 5.156 1.00 0.74 C ATOM 0 H LEU A 13 -3.607 12.957 5.461 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.217 10.790 6.319 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.559 12.988 5.065 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.309 13.689 6.652 1.00 0.61 H new ATOM 0 HG LEU A 13 0.803 13.082 5.683 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.723 11.612 7.429 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.628 12.846 8.096 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.069 11.167 7.913 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.397 10.738 5.162 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.279 10.248 5.508 1.00 0.74 H new ATOM 0 HD23 LEU A 13 0.067 11.334 4.141 1.00 0.74 H new ATOM 197 N ILE A 14 -2.656 12.887 8.798 1.00 0.52 N ATOM 198 CA ILE A 14 -2.429 13.121 10.211 1.00 0.56 C ATOM 199 C ILE A 14 -3.147 12.085 11.095 1.00 0.54 C ATOM 200 O ILE A 14 -2.961 12.062 12.315 1.00 0.61 O ATOM 201 CB ILE A 14 -2.852 14.563 10.577 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.301 14.640 11.094 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.678 15.456 9.347 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.356 14.347 10.053 1.00 1.05 C ATOM 0 H ILE A 14 -3.182 13.625 8.331 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.363 13.004 10.406 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.213 14.908 11.390 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.417 13.936 11.918 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.476 15.637 11.499 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.973 16.476 9.593 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.634 15.446 9.035 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -3.303 15.083 8.535 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.345 14.424 10.505 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -5.273 15.066 9.238 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -5.213 13.339 9.663 1.00 1.05 H new ATOM 216 N SER A 15 -3.946 11.220 10.470 1.00 0.46 N ATOM 217 CA SER A 15 -4.651 10.160 11.184 1.00 0.46 C ATOM 218 C SER A 15 -3.780 8.910 11.287 1.00 0.46 C ATOM 219 O SER A 15 -4.105 7.976 12.019 1.00 0.51 O ATOM 220 CB SER A 15 -5.956 9.808 10.460 1.00 0.42 C ATOM 221 OG SER A 15 -6.564 10.972 9.925 1.00 0.92 O ATOM 0 H SER A 15 -4.120 11.235 9.465 1.00 0.46 H new ATOM 0 HA SER A 15 -4.878 10.521 12.187 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.753 9.097 9.659 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.641 9.320 11.153 1.00 0.42 H new ATOM 0 HG SER A 15 -6.183 11.164 9.043 1.00 0.92 H new ATOM 227 N VAL A 16 -2.680 8.893 10.545 1.00 0.43 N ATOM 228 CA VAL A 16 -1.804 7.737 10.523 1.00 0.43 C ATOM 229 C VAL A 16 -0.442 8.064 11.142 1.00 0.45 C ATOM 230 O VAL A 16 0.180 9.075 10.807 1.00 0.50 O ATOM 231 CB VAL A 16 -1.632 7.182 9.085 1.00 0.45 C ATOM 232 CG1 VAL A 16 -1.008 8.204 8.136 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.799 5.910 9.109 1.00 0.45 C ATOM 0 H VAL A 16 -2.377 9.666 9.953 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.275 6.961 11.127 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.629 6.958 8.705 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.909 7.766 7.143 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.645 9.087 8.081 1.00 0.54 H new ATOM 0 HG13 VAL A 16 -0.023 8.490 8.506 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.685 5.530 8.094 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.184 6.127 9.527 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.298 5.160 9.723 1.00 0.45 H new ATOM 243 N PRO A 17 0.013 7.223 12.088 1.00 0.46 N ATOM 244 CA PRO A 17 1.306 7.402 12.760 1.00 0.50 C ATOM 245 C PRO A 17 2.493 7.102 11.846 1.00 0.43 C ATOM 246 O PRO A 17 2.392 6.304 10.913 1.00 0.48 O ATOM 247 CB PRO A 17 1.251 6.396 13.912 1.00 0.59 C ATOM 248 CG PRO A 17 0.308 5.339 13.453 1.00 0.53 C ATOM 249 CD PRO A 17 -0.708 6.034 12.592 1.00 0.50 C ATOM 0 HA PRO A 17 1.454 8.433 13.081 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.237 5.982 14.122 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.901 6.866 14.831 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.832 4.566 12.891 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.170 4.848 14.301 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.046 5.395 11.776 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.592 6.315 13.164 1.00 0.50 H new ATOM 257 N LEU A 18 3.613 7.755 12.126 1.00 0.42 N ATOM 258 CA LEU A 18 4.833 7.572 11.350 1.00 0.38 C ATOM 259 C LEU A 18 5.826 6.684 12.096 1.00 0.33 C ATOM 260 O LEU A 18 5.867 6.674 13.326 1.00 0.35 O ATOM 261 CB LEU A 18 5.463 8.938 11.043 1.00 0.46 C ATOM 262 CG LEU A 18 6.879 8.899 10.452 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.905 8.138 9.135 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.415 10.308 10.262 1.00 1.07 C ATOM 0 H LEU A 18 3.702 8.422 12.892 1.00 0.42 H new ATOM 0 HA LEU A 18 4.578 7.077 10.413 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.813 9.469 10.348 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.489 9.521 11.964 1.00 0.46 H new ATOM 0 HG LEU A 18 7.522 8.372 11.157 1.00 0.63 H new ATOM 0 HD11 LEU A 18 7.921 8.127 8.741 1.00 1.15 H new ATOM 0 HD12 LEU A 18 6.569 7.114 9.300 1.00 1.15 H new ATOM 0 HD13 LEU A 18 6.243 8.626 8.420 1.00 1.15 H new ATOM 0 HD21 LEU A 18 8.420 10.261 9.842 1.00 1.07 H new ATOM 0 HD22 LEU A 18 6.763 10.857 9.583 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.447 10.818 11.225 1.00 1.07 H new ATOM 276 N GLN A 19 6.617 5.939 11.334 1.00 0.36 N ATOM 277 CA GLN A 19 7.634 5.058 11.891 1.00 0.47 C ATOM 278 C GLN A 19 8.944 5.814 12.107 1.00 0.62 C ATOM 279 O GLN A 19 9.572 6.263 11.149 1.00 0.68 O ATOM 280 CB GLN A 19 7.851 3.854 10.956 1.00 0.49 C ATOM 281 CG GLN A 19 8.980 2.920 11.372 1.00 1.04 C ATOM 282 CD GLN A 19 8.800 2.324 12.761 1.00 2.08 C ATOM 283 OE1 GLN A 19 7.567 2.257 13.234 1.00 2.68 O flip ATOM 284 NE2 GLN A 19 9.770 1.948 13.416 1.00 2.93 N flip ATOM 0 H GLN A 19 6.571 5.929 10.315 1.00 0.36 H new ATOM 0 HA GLN A 19 7.291 4.695 12.860 1.00 0.47 H new ATOM 0 HB2 GLN A 19 6.925 3.281 10.903 1.00 0.49 H new ATOM 0 HB3 GLN A 19 8.055 4.224 9.951 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.056 2.111 10.646 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.922 3.467 11.340 1.00 1.04 H new ATOM 0 HE21 GLN A 19 10.708 2.013 13.021 1.00 2.93 H new ATOM 0 HE22 GLN A 19 9.637 1.571 14.354 1.00 2.93 H new ATOM 293 N PRO A 20 9.361 5.969 13.374 1.00 0.92 N ATOM 294 CA PRO A 20 10.616 6.645 13.717 1.00 1.20 C ATOM 295 C PRO A 20 11.837 5.804 13.348 1.00 1.19 C ATOM 296 O PRO A 20 11.761 4.574 13.277 1.00 1.36 O ATOM 297 CB PRO A 20 10.522 6.822 15.234 1.00 1.58 C ATOM 298 CG PRO A 20 9.622 5.726 15.689 1.00 1.65 C ATOM 299 CD PRO A 20 8.641 5.500 14.572 1.00 1.15 C ATOM 0 HA PRO A 20 10.740 7.583 13.177 1.00 1.20 H new ATOM 0 HB2 PRO A 20 11.503 6.748 15.703 1.00 1.58 H new ATOM 0 HB3 PRO A 20 10.117 7.800 15.494 1.00 1.58 H new ATOM 0 HG2 PRO A 20 10.188 4.819 15.899 1.00 1.65 H new ATOM 0 HG3 PRO A 20 9.107 6.001 16.610 1.00 1.65 H new ATOM 0 HD2 PRO A 20 8.366 4.449 14.488 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.719 6.059 14.730 1.00 1.15 H new ATOM 307 N GLY A 21 12.961 6.471 13.117 1.00 1.32 N ATOM 308 CA GLY A 21 14.152 5.776 12.674 1.00 1.38 C ATOM 309 C GLY A 21 14.034 5.394 11.220 1.00 1.06 C ATOM 310 O GLY A 21 14.447 4.310 10.806 1.00 1.29 O ATOM 0 H GLY A 21 13.068 7.479 13.229 1.00 1.32 H new ATOM 0 HA2 GLY A 21 15.026 6.412 12.819 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.304 4.882 13.279 1.00 1.38 H new ATOM 314 N PHE A 22 13.455 6.295 10.446 1.00 0.69 N ATOM 315 CA PHE A 22 13.147 6.027 9.058 1.00 0.51 C ATOM 316 C PHE A 22 14.273 6.487 8.145 1.00 0.51 C ATOM 317 O PHE A 22 14.717 7.635 8.216 1.00 0.68 O ATOM 318 CB PHE A 22 11.850 6.726 8.668 1.00 0.71 C ATOM 319 CG PHE A 22 11.350 6.321 7.318 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.665 5.133 7.160 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.564 7.124 6.209 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.201 4.750 5.926 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.102 6.744 4.968 1.00 2.66 C ATOM 324 CZ PHE A 22 10.420 5.554 4.826 1.00 2.32 C ATOM 0 H PHE A 22 13.188 7.227 10.762 1.00 0.69 H new ATOM 0 HA PHE A 22 13.031 4.950 8.941 1.00 0.51 H new ATOM 0 HB2 PHE A 22 11.086 6.505 9.413 1.00 0.71 H new ATOM 0 HB3 PHE A 22 12.007 7.805 8.683 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.492 4.498 8.016 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.098 8.056 6.319 1.00 2.08 H new ATOM 0 HE1 PHE A 22 9.664 3.819 5.816 1.00 1.43 H new ATOM 0 HE2 PHE A 22 11.273 7.376 4.109 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.058 5.251 3.855 1.00 2.32 H new ATOM 334 N TRP A 23 14.728 5.585 7.290 1.00 0.48 N ATOM 335 CA TRP A 23 15.786 5.897 6.335 1.00 0.57 C ATOM 336 C TRP A 23 15.435 5.358 4.951 1.00 0.50 C ATOM 337 O TRP A 23 14.633 4.428 4.839 1.00 0.51 O ATOM 338 CB TRP A 23 17.135 5.336 6.800 1.00 0.78 C ATOM 339 CG TRP A 23 17.635 5.946 8.073 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.078 7.225 8.251 1.00 2.36 C ATOM 341 CD2 TRP A 23 17.755 5.300 9.346 1.00 2.01 C ATOM 342 NE1 TRP A 23 18.457 7.418 9.558 1.00 3.05 N ATOM 343 CE2 TRP A 23 18.269 6.251 10.249 1.00 2.82 C ATOM 344 CE3 TRP A 23 17.472 4.013 9.810 1.00 2.70 C ATOM 345 CZ2 TRP A 23 18.508 5.953 11.587 1.00 3.70 C ATOM 346 CZ3 TRP A 23 17.710 3.720 11.139 1.00 3.72 C ATOM 347 CH2 TRP A 23 18.222 4.687 12.013 1.00 4.03 C ATOM 0 H TRP A 23 14.382 4.627 7.236 1.00 0.48 H new ATOM 0 HA TRP A 23 15.874 6.982 6.276 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.043 4.258 6.936 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.875 5.496 6.016 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.124 7.977 7.477 1.00 2.36 H new ATOM 0 HE1 TRP A 23 18.819 8.288 9.949 1.00 3.05 H new ATOM 0 HE3 TRP A 23 17.075 3.262 9.143 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 18.905 6.695 12.264 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 17.498 2.728 11.510 1.00 3.72 H new ATOM 0 HH2 TRP A 23 18.395 4.426 13.047 1.00 4.03 H new ATOM 358 N THR A 24 16.032 5.931 3.915 1.00 0.50 N ATOM 359 CA THR A 24 15.724 5.559 2.539 1.00 0.47 C ATOM 360 C THR A 24 16.000 4.085 2.259 1.00 0.46 C ATOM 361 O THR A 24 15.095 3.334 1.886 1.00 0.48 O ATOM 362 CB THR A 24 16.534 6.413 1.561 1.00 0.50 C ATOM 363 OG1 THR A 24 17.703 6.935 2.210 1.00 0.58 O ATOM 364 CG2 THR A 24 15.691 7.545 1.011 1.00 0.53 C ATOM 0 H THR A 24 16.738 6.662 4.002 1.00 0.50 H new ATOM 0 HA THR A 24 14.658 5.736 2.399 1.00 0.47 H new ATOM 0 HB THR A 24 16.844 5.781 0.729 1.00 0.50 H new ATOM 0 HG1 THR A 24 17.497 7.810 2.601 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.287 8.139 0.318 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.828 7.135 0.487 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.351 8.177 1.831 1.00 0.53 H new ATOM 372 N GLU A 25 17.239 3.663 2.482 1.00 0.53 N ATOM 373 CA GLU A 25 17.650 2.304 2.158 1.00 0.60 C ATOM 374 C GLU A 25 17.054 1.327 3.167 1.00 0.60 C ATOM 375 O GLU A 25 16.978 0.119 2.927 1.00 0.63 O ATOM 376 CB GLU A 25 19.175 2.186 2.182 1.00 0.71 C ATOM 377 CG GLU A 25 19.703 0.897 1.573 1.00 1.31 C ATOM 378 CD GLU A 25 21.129 0.602 1.985 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.046 1.291 1.484 1.00 1.94 O ATOM 380 OE2 GLU A 25 21.345 -0.328 2.787 1.00 1.88 O ATOM 0 H GLU A 25 17.975 4.242 2.885 1.00 0.53 H new ATOM 0 HA GLU A 25 17.290 2.064 1.158 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.604 3.032 1.645 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.519 2.256 3.214 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.063 0.068 1.874 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.649 0.964 0.486 1.00 1.31 H new ATOM 387 N ARG A 26 16.642 1.874 4.303 1.00 0.64 N ATOM 388 CA ARG A 26 16.064 1.094 5.387 1.00 0.76 C ATOM 389 C ARG A 26 14.646 0.652 5.006 1.00 0.71 C ATOM 390 O ARG A 26 14.132 -0.345 5.511 1.00 0.87 O ATOM 391 CB ARG A 26 16.073 1.947 6.666 1.00 0.96 C ATOM 392 CG ARG A 26 16.024 1.160 7.969 1.00 1.62 C ATOM 393 CD ARG A 26 14.627 0.665 8.281 1.00 2.07 C ATOM 394 NE ARG A 26 14.536 0.077 9.611 1.00 2.61 N ATOM 395 CZ ARG A 26 13.398 -0.342 10.147 1.00 3.42 C ATOM 396 NH1 ARG A 26 12.280 -0.283 9.440 1.00 3.88 N ATOM 397 NH2 ARG A 26 13.375 -0.831 11.381 1.00 4.18 N ATOM 0 H ARG A 26 16.700 2.873 4.498 1.00 0.64 H new ATOM 0 HA ARG A 26 16.650 0.193 5.568 1.00 0.76 H new ATOM 0 HB2 ARG A 26 16.972 2.564 6.666 1.00 0.96 H new ATOM 0 HB3 ARG A 26 15.220 2.626 6.637 1.00 0.96 H new ATOM 0 HG2 ARG A 26 16.704 0.310 7.905 1.00 1.62 H new ATOM 0 HG3 ARG A 26 16.376 1.789 8.786 1.00 1.62 H new ATOM 0 HD2 ARG A 26 13.924 1.494 8.203 1.00 2.07 H new ATOM 0 HD3 ARG A 26 14.331 -0.075 7.537 1.00 2.07 H new ATOM 0 HE ARG A 26 15.392 -0.017 10.158 1.00 2.61 H new ATOM 0 HH11 ARG A 26 12.297 0.083 8.488 1.00 3.88 H new ATOM 0 HH12 ARG A 26 11.402 -0.604 9.847 1.00 3.88 H new ATOM 0 HH21 ARG A 26 14.237 -0.886 11.924 1.00 4.18 H new ATOM 0 HH22 ARG A 26 12.496 -1.151 11.786 1.00 4.18 H new ATOM 411 N PHE A 27 14.038 1.397 4.096 1.00 0.59 N ATOM 412 CA PHE A 27 12.721 1.066 3.567 1.00 0.61 C ATOM 413 C PHE A 27 12.868 0.779 2.068 1.00 0.51 C ATOM 414 O PHE A 27 12.138 1.312 1.235 1.00 0.72 O ATOM 415 CB PHE A 27 11.755 2.238 3.822 1.00 0.71 C ATOM 416 CG PHE A 27 10.287 1.878 3.847 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.587 1.661 2.673 1.00 1.74 C ATOM 418 CD2 PHE A 27 9.601 1.786 5.053 1.00 0.95 C ATOM 419 CE1 PHE A 27 8.240 1.355 2.697 1.00 2.21 C ATOM 420 CE2 PHE A 27 8.254 1.487 5.077 1.00 1.39 C ATOM 421 CZ PHE A 27 7.573 1.270 3.899 1.00 2.03 C ATOM 0 H PHE A 27 14.442 2.247 3.703 1.00 0.59 H new ATOM 0 HA PHE A 27 12.311 0.185 4.061 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.014 2.699 4.775 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.913 2.991 3.050 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.101 1.732 1.726 1.00 1.74 H new ATOM 0 HD2 PHE A 27 10.128 1.950 5.981 1.00 0.95 H new ATOM 0 HE1 PHE A 27 7.709 1.182 1.772 1.00 2.21 H new ATOM 0 HE2 PHE A 27 7.733 1.423 6.021 1.00 1.39 H new ATOM 0 HZ PHE A 27 6.519 1.034 3.918 1.00 2.03 H new ATOM 431 N GLN A 28 13.857 -0.049 1.739 1.00 0.40 N ATOM 432 CA GLN A 28 14.185 -0.363 0.351 1.00 0.31 C ATOM 433 C GLN A 28 14.282 -1.875 0.156 1.00 0.30 C ATOM 434 O GLN A 28 14.520 -2.614 1.110 1.00 0.37 O ATOM 435 CB GLN A 28 15.501 0.343 -0.023 1.00 0.28 C ATOM 436 CG GLN A 28 16.068 0.020 -1.404 1.00 0.45 C ATOM 437 CD GLN A 28 16.995 -1.187 -1.415 1.00 0.77 C ATOM 438 OE1 GLN A 28 17.678 -1.426 -0.306 1.00 1.73 O flip ATOM 439 NE2 GLN A 28 17.099 -1.895 -2.418 1.00 1.23 N flip ATOM 0 H GLN A 28 14.450 -0.519 2.423 1.00 0.40 H new ATOM 0 HA GLN A 28 13.396 -0.003 -0.309 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.343 1.420 0.040 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.252 0.087 0.725 1.00 0.28 H new ATOM 0 HG2 GLN A 28 15.243 -0.160 -2.093 1.00 0.45 H new ATOM 0 HG3 GLN A 28 16.611 0.888 -1.777 1.00 0.45 H new ATOM 0 HE21 GLN A 28 16.556 -1.678 -3.254 1.00 1.23 H new ATOM 0 HE22 GLN A 28 17.728 -2.698 -2.413 1.00 1.23 H new ATOM 448 N GLY A 29 14.077 -2.323 -1.075 1.00 0.29 N ATOM 449 CA GLY A 29 14.184 -3.740 -1.384 1.00 0.32 C ATOM 450 C GLY A 29 12.847 -4.375 -1.694 1.00 0.30 C ATOM 451 O GLY A 29 11.898 -3.684 -2.078 1.00 0.28 O ATOM 0 H GLY A 29 13.838 -1.730 -1.870 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.850 -3.872 -2.237 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.640 -4.258 -0.540 1.00 0.32 H new ATOM 455 N ARG A 30 12.773 -5.694 -1.543 1.00 0.35 N ATOM 456 CA ARG A 30 11.550 -6.431 -1.832 1.00 0.36 C ATOM 457 C ARG A 30 10.567 -6.335 -0.679 1.00 0.39 C ATOM 458 O ARG A 30 10.833 -6.831 0.417 1.00 0.51 O ATOM 459 CB ARG A 30 11.830 -7.915 -2.102 1.00 0.46 C ATOM 460 CG ARG A 30 12.416 -8.224 -3.468 1.00 0.51 C ATOM 461 CD ARG A 30 13.904 -7.938 -3.530 1.00 0.66 C ATOM 462 NE ARG A 30 14.532 -8.653 -4.634 1.00 1.20 N ATOM 463 CZ ARG A 30 15.838 -8.692 -4.857 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.675 -8.031 -4.069 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.303 -9.409 -5.868 1.00 2.57 N ATOM 0 H ARG A 30 13.548 -6.274 -1.221 1.00 0.35 H new ATOM 0 HA ARG A 30 11.122 -5.976 -2.725 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.515 -8.284 -1.339 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.899 -8.470 -1.990 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.239 -9.272 -3.709 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.902 -7.631 -4.225 1.00 0.51 H new ATOM 0 HD2 ARG A 30 14.067 -6.867 -3.648 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.373 -8.230 -2.590 1.00 0.66 H new ATOM 0 HE ARG A 30 13.925 -9.158 -5.279 1.00 1.20 H new ATOM 0 HH11 ARG A 30 16.315 -7.487 -3.284 1.00 1.65 H new ATOM 0 HH12 ARG A 30 17.679 -8.066 -4.247 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.658 -9.925 -6.467 1.00 2.57 H new ATOM 0 HH22 ARG A 30 17.306 -9.446 -6.048 1.00 2.57 H new ATOM 479 N TRP A 31 9.439 -5.700 -0.925 1.00 0.34 N ATOM 480 CA TRP A 31 8.371 -5.665 0.051 1.00 0.42 C ATOM 481 C TRP A 31 7.137 -6.354 -0.507 1.00 0.34 C ATOM 482 O TRP A 31 6.541 -5.903 -1.488 1.00 0.34 O ATOM 483 CB TRP A 31 8.074 -4.227 0.475 1.00 0.55 C ATOM 484 CG TRP A 31 9.186 -3.628 1.281 1.00 0.85 C ATOM 485 CD1 TRP A 31 10.321 -3.039 0.807 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.278 -3.583 2.708 1.00 0.74 C ATOM 487 NE1 TRP A 31 11.106 -2.616 1.849 1.00 1.91 N ATOM 488 CE2 TRP A 31 10.488 -2.941 3.026 1.00 0.91 C ATOM 489 CE3 TRP A 31 8.449 -4.015 3.745 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.893 -2.724 4.340 1.00 0.90 C ATOM 491 CZ3 TRP A 31 8.854 -3.803 5.048 1.00 2.36 C ATOM 492 CH2 TRP A 31 10.064 -3.160 5.335 1.00 1.70 C ATOM 0 H TRP A 31 9.239 -5.202 -1.792 1.00 0.34 H new ATOM 0 HA TRP A 31 8.685 -6.206 0.944 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.903 -3.617 -0.412 1.00 0.55 H new ATOM 0 HB3 TRP A 31 7.154 -4.206 1.059 1.00 0.55 H new ATOM 0 HD1 TRP A 31 10.566 -2.922 -0.238 1.00 1.94 H new ATOM 0 HE1 TRP A 31 12.003 -2.138 1.761 1.00 1.91 H new ATOM 0 HE3 TRP A 31 7.510 -4.505 3.532 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.827 -2.230 4.565 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 8.226 -4.139 5.860 1.00 2.36 H new ATOM 0 HH2 TRP A 31 10.348 -3.005 6.365 1.00 1.70 H new ATOM 503 N PHE A 32 6.783 -7.470 0.108 1.00 0.31 N ATOM 504 CA PHE A 32 5.683 -8.290 -0.365 1.00 0.30 C ATOM 505 C PHE A 32 4.389 -7.930 0.336 1.00 0.29 C ATOM 506 O PHE A 32 4.358 -7.765 1.555 1.00 0.33 O ATOM 507 CB PHE A 32 5.992 -9.769 -0.143 1.00 0.38 C ATOM 508 CG PHE A 32 6.999 -10.322 -1.105 1.00 0.63 C ATOM 509 CD1 PHE A 32 6.592 -10.795 -2.338 1.00 0.68 C ATOM 510 CD2 PHE A 32 8.344 -10.374 -0.780 1.00 1.10 C ATOM 511 CE1 PHE A 32 7.506 -11.313 -3.231 1.00 1.17 C ATOM 512 CE2 PHE A 32 9.266 -10.890 -1.669 1.00 1.62 C ATOM 513 CZ PHE A 32 8.846 -11.361 -2.898 1.00 1.64 C ATOM 0 H PHE A 32 7.246 -7.830 0.942 1.00 0.31 H new ATOM 0 HA PHE A 32 5.562 -8.101 -1.432 1.00 0.30 H new ATOM 0 HB2 PHE A 32 6.360 -9.906 0.874 1.00 0.38 H new ATOM 0 HB3 PHE A 32 5.068 -10.341 -0.228 1.00 0.38 H new ATOM 0 HD1 PHE A 32 5.546 -10.759 -2.605 1.00 0.68 H new ATOM 0 HD2 PHE A 32 8.676 -10.007 0.180 1.00 1.10 H new ATOM 0 HE1 PHE A 32 7.174 -11.681 -4.191 1.00 1.17 H new ATOM 0 HE2 PHE A 32 10.312 -10.925 -1.404 1.00 1.62 H new ATOM 0 HZ PHE A 32 9.563 -11.766 -3.597 1.00 1.64 H new ATOM 523 N VAL A 33 3.326 -7.805 -0.443 1.00 0.28 N ATOM 524 CA VAL A 33 2.007 -7.546 0.112 1.00 0.30 C ATOM 525 C VAL A 33 1.420 -8.838 0.640 1.00 0.31 C ATOM 526 O VAL A 33 1.316 -9.812 -0.093 1.00 0.52 O ATOM 527 CB VAL A 33 1.032 -6.972 -0.935 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.012 -6.085 -0.275 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.774 -6.230 -2.025 1.00 0.74 C ATOM 0 H VAL A 33 3.351 -7.879 -1.460 1.00 0.28 H new ATOM 0 HA VAL A 33 2.133 -6.811 0.907 1.00 0.30 H new ATOM 0 HB VAL A 33 0.512 -7.808 -1.403 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -0.688 -5.692 -1.034 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -0.580 -6.669 0.449 1.00 0.74 H new ATOM 0 HG13 VAL A 33 0.483 -5.258 0.234 1.00 0.74 H new ATOM 0 HG21 VAL A 33 1.060 -5.837 -2.748 1.00 0.74 H new ATOM 0 HG22 VAL A 33 2.337 -5.406 -1.586 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.461 -6.912 -2.527 1.00 0.74 H new ATOM 539 N VAL A 34 1.056 -8.857 1.906 1.00 0.20 N ATOM 540 CA VAL A 34 0.438 -10.038 2.488 1.00 0.25 C ATOM 541 C VAL A 34 -1.029 -9.751 2.831 1.00 0.28 C ATOM 542 O VAL A 34 -1.844 -10.666 2.976 1.00 0.47 O ATOM 543 CB VAL A 34 1.200 -10.506 3.749 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.634 -11.814 4.288 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.683 -10.656 3.443 1.00 0.29 C ATOM 0 H VAL A 34 1.175 -8.075 2.551 1.00 0.20 H new ATOM 0 HA VAL A 34 0.483 -10.840 1.752 1.00 0.25 H new ATOM 0 HB VAL A 34 1.072 -9.746 4.520 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.193 -12.114 5.174 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.415 -11.676 4.550 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.719 -12.589 3.526 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.208 -10.986 4.339 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.818 -11.393 2.651 1.00 0.29 H new ATOM 0 HG23 VAL A 34 3.086 -9.697 3.119 1.00 0.29 H new ATOM 555 N GLY A 35 -1.371 -8.468 2.929 1.00 0.19 N ATOM 556 CA GLY A 35 -2.740 -8.082 3.224 1.00 0.19 C ATOM 557 C GLY A 35 -3.100 -6.722 2.652 1.00 0.17 C ATOM 558 O GLY A 35 -2.215 -5.914 2.350 1.00 0.18 O ATOM 0 H GLY A 35 -0.724 -7.689 2.809 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.420 -8.833 2.821 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -2.885 -8.067 4.304 1.00 0.19 H new ATOM 562 N LEU A 36 -4.396 -6.457 2.520 1.00 0.17 N ATOM 563 CA LEU A 36 -4.871 -5.202 1.957 1.00 0.18 C ATOM 564 C LEU A 36 -6.242 -4.845 2.531 1.00 0.16 C ATOM 565 O LEU A 36 -7.086 -5.711 2.704 1.00 0.18 O ATOM 566 CB LEU A 36 -4.965 -5.306 0.436 1.00 0.20 C ATOM 567 CG LEU A 36 -5.006 -3.959 -0.283 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.639 -3.291 -0.225 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.472 -4.128 -1.718 1.00 0.30 C ATOM 0 H LEU A 36 -5.138 -7.100 2.797 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.160 -4.418 2.219 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.111 -5.875 0.069 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.860 -5.871 0.176 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.724 -3.315 0.224 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.681 -2.332 -0.741 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.356 -3.132 0.815 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -2.901 -3.931 -0.708 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.493 -3.156 -2.210 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.786 -4.788 -2.248 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.472 -4.561 -1.727 1.00 0.30 H new ATOM 581 N ALA A 37 -6.465 -3.577 2.819 1.00 0.17 N ATOM 582 CA ALA A 37 -7.715 -3.150 3.442 1.00 0.18 C ATOM 583 C ALA A 37 -8.054 -1.728 3.040 1.00 0.24 C ATOM 584 O ALA A 37 -7.218 -0.846 3.168 1.00 0.43 O ATOM 585 CB ALA A 37 -7.576 -3.235 4.954 1.00 0.25 C ATOM 0 H ALA A 37 -5.803 -2.823 2.635 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.519 -3.805 3.106 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.507 -2.917 5.423 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.357 -4.263 5.242 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.764 -2.586 5.282 1.00 0.25 H new ATOM 591 N GLY A 38 -9.260 -1.488 2.551 1.00 0.22 N ATOM 592 CA GLY A 38 -9.601 -0.140 2.165 1.00 0.26 C ATOM 593 C GLY A 38 -10.784 -0.031 1.240 1.00 0.25 C ATOM 594 O GLY A 38 -11.188 -0.993 0.601 1.00 0.26 O ATOM 0 H GLY A 38 -9.992 -2.185 2.417 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.806 0.440 3.065 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.736 0.315 1.682 1.00 0.26 H new ATOM 598 N ASN A 39 -11.326 1.174 1.165 1.00 0.26 N ATOM 599 CA ASN A 39 -12.490 1.456 0.344 1.00 0.27 C ATOM 600 C ASN A 39 -12.141 1.314 -1.136 1.00 0.32 C ATOM 601 O ASN A 39 -12.941 0.833 -1.937 1.00 0.40 O ATOM 602 CB ASN A 39 -13.003 2.867 0.663 1.00 0.31 C ATOM 603 CG ASN A 39 -13.969 3.435 -0.370 1.00 1.08 C ATOM 604 OD1 ASN A 39 -13.945 4.631 -0.645 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.845 2.604 -0.918 1.00 1.73 N ATOM 0 H ASN A 39 -10.970 1.984 1.673 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.280 0.739 0.566 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.498 2.849 1.634 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.149 3.539 0.752 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.527 2.953 -1.591 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -14.837 1.616 -0.666 1.00 1.73 H new ATOM 612 N ALA A 40 -10.926 1.711 -1.480 1.00 0.34 N ATOM 613 CA ALA A 40 -10.447 1.624 -2.852 1.00 0.41 C ATOM 614 C ALA A 40 -9.878 0.234 -3.139 1.00 0.39 C ATOM 615 O ALA A 40 -9.463 -0.061 -4.259 1.00 0.45 O ATOM 616 CB ALA A 40 -9.399 2.695 -3.093 1.00 0.46 C ATOM 0 H ALA A 40 -10.249 2.099 -0.823 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.283 1.788 -3.531 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.041 2.629 -4.120 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -9.838 3.678 -2.924 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.564 2.548 -2.408 1.00 0.46 H new ATOM 622 N VAL A 41 -9.857 -0.600 -2.107 1.00 0.34 N ATOM 623 CA VAL A 41 -9.404 -1.985 -2.221 1.00 0.33 C ATOM 624 C VAL A 41 -10.364 -2.810 -3.072 1.00 0.42 C ATOM 625 O VAL A 41 -11.580 -2.774 -2.866 1.00 0.46 O ATOM 626 CB VAL A 41 -9.255 -2.636 -0.816 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.339 -4.163 -0.873 1.00 0.32 C ATOM 628 CG2 VAL A 41 -7.941 -2.202 -0.187 1.00 0.30 C ATOM 0 H VAL A 41 -10.153 -0.338 -1.167 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.430 -1.971 -2.710 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.088 -2.293 -0.202 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.230 -4.571 0.132 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.305 -4.459 -1.282 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -8.542 -4.548 -1.510 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -7.840 -2.660 0.797 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.112 -2.518 -0.821 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -7.927 -1.117 -0.085 1.00 0.30 H new ATOM 638 N GLN A 42 -9.815 -3.543 -4.035 1.00 0.55 N ATOM 639 CA GLN A 42 -10.613 -4.445 -4.850 1.00 0.69 C ATOM 640 C GLN A 42 -10.961 -5.696 -4.044 1.00 0.60 C ATOM 641 O GLN A 42 -10.348 -6.752 -4.187 1.00 0.70 O ATOM 642 CB GLN A 42 -9.884 -4.811 -6.154 1.00 0.93 C ATOM 643 CG GLN A 42 -8.500 -5.417 -5.960 1.00 1.49 C ATOM 644 CD GLN A 42 -7.941 -6.009 -7.239 1.00 1.84 C ATOM 645 OE1 GLN A 42 -8.155 -7.185 -7.540 1.00 2.44 O ATOM 646 NE2 GLN A 42 -7.210 -5.205 -7.991 1.00 2.35 N ATOM 0 H GLN A 42 -8.822 -3.529 -4.268 1.00 0.55 H new ATOM 0 HA GLN A 42 -11.537 -3.938 -5.129 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -10.499 -5.516 -6.713 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -9.791 -3.914 -6.766 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -7.819 -4.650 -5.591 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -8.550 -6.193 -5.196 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -7.058 -4.238 -7.705 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -6.798 -5.552 -8.857 1.00 2.35 H new ATOM 655 N LYS A 43 -11.957 -5.565 -3.194 1.00 0.50 N ATOM 656 CA LYS A 43 -12.367 -6.641 -2.315 1.00 0.48 C ATOM 657 C LYS A 43 -13.505 -7.430 -2.976 1.00 0.59 C ATOM 658 O LYS A 43 -14.607 -6.922 -3.156 1.00 0.69 O ATOM 659 CB LYS A 43 -12.786 -6.027 -0.969 1.00 0.43 C ATOM 660 CG LYS A 43 -12.746 -6.955 0.229 1.00 0.57 C ATOM 661 CD LYS A 43 -13.385 -8.300 -0.009 1.00 0.55 C ATOM 662 CE LYS A 43 -12.961 -9.245 1.086 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.567 -8.884 2.399 1.00 0.97 N ATOM 0 H LYS A 43 -12.505 -4.711 -3.092 1.00 0.50 H new ATOM 0 HA LYS A 43 -11.552 -7.341 -2.134 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.138 -5.175 -0.764 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -13.800 -5.640 -1.069 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -11.707 -7.106 0.523 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.247 -6.470 1.067 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.471 -8.204 -0.024 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.086 -8.692 -0.981 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -13.251 -10.262 0.820 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -11.875 -9.235 1.173 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -12.825 -8.536 3.040 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.281 -8.141 2.259 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.018 -9.723 2.816 1.00 0.97 H new ATOM 677 N GLU A 44 -13.200 -8.672 -3.359 1.00 0.68 N ATOM 678 CA GLU A 44 -14.149 -9.543 -4.064 1.00 0.80 C ATOM 679 C GLU A 44 -15.318 -9.948 -3.174 1.00 0.76 C ATOM 680 O GLU A 44 -16.471 -9.651 -3.474 1.00 0.88 O ATOM 681 CB GLU A 44 -13.406 -10.788 -4.563 1.00 0.94 C ATOM 682 CG GLU A 44 -14.305 -11.898 -5.069 1.00 0.95 C ATOM 683 CD GLU A 44 -13.527 -13.067 -5.630 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.229 -13.067 -6.844 1.00 2.22 O ATOM 685 OE2 GLU A 44 -13.208 -13.993 -4.858 1.00 2.00 O ATOM 0 H GLU A 44 -12.291 -9.103 -3.191 1.00 0.68 H new ATOM 0 HA GLU A 44 -14.564 -8.990 -4.907 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -12.728 -10.494 -5.364 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -12.791 -11.178 -3.752 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -14.940 -12.246 -4.254 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -14.965 -11.502 -5.841 1.00 0.95 H new ATOM 692 N ARG A 45 -14.997 -10.633 -2.093 1.00 0.70 N ATOM 693 CA ARG A 45 -15.966 -11.033 -1.086 1.00 0.79 C ATOM 694 C ARG A 45 -15.211 -11.788 -0.017 1.00 0.79 C ATOM 695 O ARG A 45 -15.366 -11.542 1.179 1.00 0.90 O ATOM 696 CB ARG A 45 -17.073 -11.911 -1.684 1.00 0.94 C ATOM 697 CG ARG A 45 -18.063 -12.427 -0.658 1.00 1.54 C ATOM 698 CD ARG A 45 -19.147 -13.271 -1.304 1.00 1.86 C ATOM 699 NE ARG A 45 -19.999 -13.918 -0.307 1.00 2.25 N ATOM 700 CZ ARG A 45 -21.318 -13.765 -0.241 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.940 -12.969 -1.100 1.00 3.09 N ATOM 702 NH2 ARG A 45 -22.018 -14.405 0.691 1.00 3.78 N ATOM 0 H ARG A 45 -14.044 -10.932 -1.885 1.00 0.70 H new ATOM 0 HA ARG A 45 -16.457 -10.153 -0.672 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -17.611 -11.338 -2.439 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -16.616 -12.759 -2.194 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -17.537 -13.020 0.090 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -18.519 -11.586 -0.136 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -19.759 -12.643 -1.952 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -18.688 -14.030 -1.937 1.00 1.86 H new ATOM 0 HE ARG A 45 -19.553 -14.525 0.381 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -21.406 -12.472 -1.813 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -22.952 -12.853 -1.047 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -21.543 -15.015 1.357 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -23.030 -14.286 0.740 1.00 3.78 H new ATOM 716 N GLN A 46 -14.353 -12.685 -0.474 1.00 0.80 N ATOM 717 CA GLN A 46 -13.425 -13.357 0.417 1.00 0.94 C ATOM 718 C GLN A 46 -12.085 -12.634 0.394 1.00 0.86 C ATOM 719 O GLN A 46 -11.658 -12.101 1.414 1.00 0.94 O ATOM 720 CB GLN A 46 -13.248 -14.840 0.057 1.00 1.13 C ATOM 721 CG GLN A 46 -12.790 -15.090 -1.372 1.00 1.36 C ATOM 722 CD GLN A 46 -12.480 -16.548 -1.655 1.00 1.85 C ATOM 723 OE1 GLN A 46 -13.132 -17.450 -0.941 1.00 2.42 O flip ATOM 724 NE2 GLN A 46 -11.648 -16.861 -2.510 1.00 2.45 N flip ATOM 0 H GLN A 46 -14.281 -12.963 -1.453 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.840 -13.325 1.424 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.524 -15.283 0.740 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -14.195 -15.356 0.218 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -13.565 -14.750 -2.059 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -11.901 -14.491 -1.572 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -11.165 -16.136 -3.041 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -11.443 -17.845 -2.686 1.00 2.45 H new ATOM 733 N SER A 47 -11.473 -12.559 -0.796 1.00 0.79 N ATOM 734 CA SER A 47 -10.138 -11.989 -0.979 1.00 0.80 C ATOM 735 C SER A 47 -9.646 -12.221 -2.404 1.00 0.82 C ATOM 736 O SER A 47 -9.311 -13.344 -2.777 1.00 0.93 O ATOM 737 CB SER A 47 -9.108 -12.593 -0.006 1.00 0.93 C ATOM 738 OG SER A 47 -9.153 -11.958 1.262 1.00 1.58 O ATOM 0 H SER A 47 -11.896 -12.895 -1.661 1.00 0.79 H new ATOM 0 HA SER A 47 -10.228 -10.922 -0.776 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.301 -13.659 0.113 1.00 0.93 H new ATOM 0 HB3 SER A 47 -8.108 -12.495 -0.427 1.00 0.93 H new ATOM 0 HG SER A 47 -10.040 -12.084 1.660 1.00 1.58 H new ATOM 744 N ARG A 48 -9.648 -11.170 -3.208 1.00 0.81 N ATOM 745 CA ARG A 48 -8.929 -11.196 -4.474 1.00 0.90 C ATOM 746 C ARG A 48 -7.677 -10.331 -4.341 1.00 0.92 C ATOM 747 O ARG A 48 -6.852 -10.602 -3.468 1.00 1.64 O ATOM 748 CB ARG A 48 -9.814 -10.764 -5.661 1.00 0.95 C ATOM 749 CG ARG A 48 -10.483 -9.410 -5.513 1.00 1.22 C ATOM 750 CD ARG A 48 -11.240 -9.031 -6.778 1.00 1.72 C ATOM 751 NE ARG A 48 -11.913 -7.738 -6.657 1.00 2.25 N ATOM 752 CZ ARG A 48 -13.101 -7.462 -7.206 1.00 2.93 C ATOM 753 NH1 ARG A 48 -13.752 -8.396 -7.891 1.00 3.36 N ATOM 754 NH2 ARG A 48 -13.634 -6.253 -7.067 1.00 3.61 N ATOM 0 H ARG A 48 -10.134 -10.295 -3.010 1.00 0.81 H new ATOM 0 HA ARG A 48 -8.635 -12.222 -4.696 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -9.202 -10.752 -6.563 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -10.587 -11.518 -5.810 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -11.170 -9.431 -4.667 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -9.731 -8.652 -5.294 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -10.546 -9.000 -7.618 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.977 -9.802 -7.002 1.00 1.72 H new ATOM 0 HE ARG A 48 -11.449 -7.004 -6.122 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -13.346 -9.325 -7.999 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -14.658 -8.184 -8.309 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -13.137 -5.534 -6.541 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -14.540 -6.044 -7.486 1.00 3.61 H new ATOM 768 N PHE A 49 -7.542 -9.297 -5.174 1.00 0.49 N ATOM 769 CA PHE A 49 -6.399 -8.385 -5.120 1.00 0.42 C ATOM 770 C PHE A 49 -5.126 -9.077 -5.591 1.00 0.59 C ATOM 771 O PHE A 49 -4.560 -8.703 -6.619 1.00 1.46 O ATOM 772 CB PHE A 49 -6.246 -7.768 -3.710 1.00 0.35 C ATOM 773 CG PHE A 49 -4.917 -7.108 -3.471 1.00 0.32 C ATOM 774 CD1 PHE A 49 -4.387 -6.208 -4.385 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.192 -7.403 -2.329 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.160 -5.614 -4.164 1.00 0.42 C ATOM 777 CE2 PHE A 49 -2.962 -6.811 -2.104 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.446 -5.917 -3.021 1.00 0.37 C ATOM 0 H PHE A 49 -8.219 -9.069 -5.902 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.585 -7.560 -5.808 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.037 -7.034 -3.559 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -6.391 -8.550 -2.965 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -4.941 -5.969 -5.281 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -4.590 -8.101 -1.608 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -2.760 -4.914 -4.883 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.405 -7.048 -1.210 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.486 -5.455 -2.845 1.00 0.37 H new ATOM 788 N THR A 50 -4.720 -10.097 -4.865 1.00 0.46 N ATOM 789 CA THR A 50 -3.543 -10.892 -5.200 1.00 0.42 C ATOM 790 C THR A 50 -2.254 -10.098 -4.935 1.00 0.47 C ATOM 791 O THR A 50 -2.148 -8.922 -5.280 1.00 0.84 O ATOM 792 CB THR A 50 -3.595 -11.365 -6.671 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.912 -11.857 -6.979 1.00 0.89 O ATOM 794 CG2 THR A 50 -2.581 -12.467 -6.928 1.00 0.82 C ATOM 0 H THR A 50 -5.197 -10.405 -4.018 1.00 0.46 H new ATOM 0 HA THR A 50 -3.541 -11.773 -4.559 1.00 0.42 H new ATOM 0 HB THR A 50 -3.355 -10.513 -7.307 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.940 -12.154 -7.913 1.00 0.89 H new ATOM 0 HG21 THR A 50 -2.640 -12.780 -7.970 1.00 0.82 H new ATOM 0 HG22 THR A 50 -1.578 -12.095 -6.717 1.00 0.82 H new ATOM 0 HG23 THR A 50 -2.796 -13.317 -6.281 1.00 0.82 H new ATOM 802 N MET A 51 -1.288 -10.744 -4.293 1.00 0.25 N ATOM 803 CA MET A 51 -0.054 -10.071 -3.897 1.00 0.24 C ATOM 804 C MET A 51 0.830 -9.773 -5.088 1.00 0.26 C ATOM 805 O MET A 51 0.927 -10.562 -6.030 1.00 0.29 O ATOM 806 CB MET A 51 0.745 -10.909 -2.891 1.00 0.25 C ATOM 807 CG MET A 51 1.354 -12.178 -3.467 1.00 0.31 C ATOM 808 SD MET A 51 1.881 -13.349 -2.197 1.00 0.50 S ATOM 809 CE MET A 51 2.712 -12.273 -1.025 1.00 1.00 C ATOM 0 H MET A 51 -1.334 -11.730 -4.036 1.00 0.25 H new ATOM 0 HA MET A 51 -0.355 -9.133 -3.431 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.544 -10.293 -2.478 1.00 0.25 H new ATOM 0 HB3 MET A 51 0.091 -11.179 -2.062 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.625 -12.661 -4.118 1.00 0.31 H new ATOM 0 HG3 MET A 51 2.210 -11.914 -4.087 1.00 0.31 H new ATOM 0 HE1 MET A 51 3.693 -12.684 -0.786 1.00 1.00 H new ATOM 0 HE2 MET A 51 2.831 -11.282 -1.462 1.00 1.00 H new ATOM 0 HE3 MET A 51 2.118 -12.199 -0.114 1.00 1.00 H new ATOM 819 N TYR A 52 1.464 -8.624 -5.029 1.00 0.28 N ATOM 820 CA TYR A 52 2.513 -8.281 -5.955 1.00 0.32 C ATOM 821 C TYR A 52 3.751 -7.899 -5.161 1.00 0.30 C ATOM 822 O TYR A 52 3.683 -7.754 -3.937 1.00 0.30 O ATOM 823 CB TYR A 52 2.085 -7.157 -6.914 1.00 0.42 C ATOM 824 CG TYR A 52 1.410 -5.944 -6.295 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.864 -5.365 -5.117 1.00 0.49 C ATOM 826 CD2 TYR A 52 0.325 -5.353 -6.934 1.00 0.61 C ATOM 827 CE1 TYR A 52 1.255 -4.238 -4.594 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.291 -4.232 -6.412 1.00 0.72 C ATOM 829 CZ TYR A 52 0.179 -3.679 -5.243 1.00 0.71 C ATOM 830 OH TYR A 52 -0.419 -2.554 -4.725 1.00 0.85 O ATOM 0 H TYR A 52 1.265 -7.902 -4.336 1.00 0.28 H new ATOM 0 HA TYR A 52 2.735 -9.144 -6.583 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.969 -6.815 -7.452 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.406 -7.582 -7.653 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.706 -5.802 -4.601 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.043 -5.779 -7.856 1.00 0.61 H new ATOM 0 HE1 TYR A 52 1.624 -3.799 -3.679 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.137 -3.792 -6.919 1.00 0.72 H new ATOM 0 HH TYR A 52 -1.163 -2.284 -5.302 1.00 0.85 H new ATOM 840 N SER A 53 4.874 -7.758 -5.827 1.00 0.33 N ATOM 841 CA SER A 53 6.086 -7.373 -5.138 1.00 0.33 C ATOM 842 C SER A 53 6.402 -5.927 -5.419 1.00 0.37 C ATOM 843 O SER A 53 6.639 -5.560 -6.558 1.00 0.52 O ATOM 844 CB SER A 53 7.267 -8.232 -5.574 1.00 0.40 C ATOM 845 OG SER A 53 6.962 -9.603 -5.490 1.00 0.93 O ATOM 0 H SER A 53 4.975 -7.902 -6.832 1.00 0.33 H new ATOM 0 HA SER A 53 5.921 -7.519 -4.071 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.543 -7.981 -6.598 1.00 0.40 H new ATOM 0 HB3 SER A 53 8.131 -8.011 -4.947 1.00 0.40 H new ATOM 0 HG SER A 53 6.780 -9.841 -4.557 1.00 0.93 H new ATOM 851 N THR A 54 6.397 -5.114 -4.384 1.00 0.31 N ATOM 852 CA THR A 54 6.786 -3.730 -4.514 1.00 0.33 C ATOM 853 C THR A 54 8.249 -3.620 -4.150 1.00 0.29 C ATOM 854 O THR A 54 8.621 -3.649 -2.976 1.00 0.27 O ATOM 855 CB THR A 54 5.943 -2.849 -3.583 1.00 0.37 C ATOM 856 OG1 THR A 54 4.633 -3.417 -3.437 1.00 0.43 O ATOM 857 CG2 THR A 54 5.815 -1.456 -4.156 1.00 0.43 C ATOM 0 H THR A 54 6.126 -5.391 -3.440 1.00 0.31 H new ATOM 0 HA THR A 54 6.624 -3.390 -5.537 1.00 0.33 H new ATOM 0 HB THR A 54 6.435 -2.796 -2.612 1.00 0.37 H new ATOM 0 HG1 THR A 54 4.339 -3.326 -2.507 1.00 0.43 H new ATOM 0 HG21 THR A 54 5.215 -0.841 -3.486 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.806 -1.015 -4.264 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.332 -1.507 -5.132 1.00 0.43 H new ATOM 865 N ILE A 55 9.083 -3.517 -5.166 1.00 0.30 N ATOM 866 CA ILE A 55 10.509 -3.435 -4.954 1.00 0.28 C ATOM 867 C ILE A 55 10.934 -1.999 -5.121 1.00 0.24 C ATOM 868 O ILE A 55 11.008 -1.497 -6.239 1.00 0.26 O ATOM 869 CB ILE A 55 11.316 -4.315 -5.936 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.546 -5.585 -6.327 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.659 -4.681 -5.316 1.00 0.32 C ATOM 872 CD1 ILE A 55 10.189 -6.487 -5.165 1.00 0.72 C ATOM 0 H ILE A 55 8.795 -3.488 -6.144 1.00 0.30 H new ATOM 0 HA ILE A 55 10.716 -3.803 -3.949 1.00 0.28 H new ATOM 0 HB ILE A 55 11.480 -3.739 -6.847 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.629 -5.295 -6.840 1.00 0.50 H new ATOM 0 HG13 ILE A 55 11.144 -6.152 -7.040 1.00 0.50 H new ATOM 0 HG21 ILE A 55 13.224 -5.301 -6.012 1.00 0.32 H new ATOM 0 HG22 ILE A 55 13.221 -3.772 -5.102 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.494 -5.232 -4.390 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.648 -7.358 -5.534 1.00 0.72 H new ATOM 0 HD12 ILE A 55 11.100 -6.812 -4.663 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.562 -5.941 -4.460 1.00 0.72 H new ATOM 884 N TYR A 56 11.174 -1.330 -4.014 1.00 0.25 N ATOM 885 CA TYR A 56 11.544 0.070 -4.058 1.00 0.27 C ATOM 886 C TYR A 56 13.031 0.186 -4.335 1.00 0.30 C ATOM 887 O TYR A 56 13.846 -0.082 -3.456 1.00 0.36 O ATOM 888 CB TYR A 56 11.236 0.775 -2.740 1.00 0.32 C ATOM 889 CG TYR A 56 9.951 0.360 -2.052 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.729 0.303 -2.720 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.963 0.050 -0.700 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.575 -0.052 -2.053 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.809 -0.313 -0.036 1.00 1.01 C ATOM 894 CZ TYR A 56 7.617 -0.360 -0.716 1.00 0.79 C ATOM 895 OH TYR A 56 6.460 -0.715 -0.056 1.00 1.02 O ATOM 0 H TYR A 56 11.120 -1.729 -3.077 1.00 0.25 H new ATOM 0 HA TYR A 56 10.963 0.545 -4.848 1.00 0.27 H new ATOM 0 HB2 TYR A 56 12.065 0.600 -2.054 1.00 0.32 H new ATOM 0 HB3 TYR A 56 11.196 1.848 -2.925 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.685 0.540 -3.773 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.895 0.094 -0.156 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.635 -0.088 -2.584 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.843 -0.559 1.015 1.00 1.01 H new ATOM 0 HH TYR A 56 6.664 -0.903 0.884 1.00 1.02 H new ATOM 905 N GLU A 57 13.390 0.559 -5.550 1.00 0.33 N ATOM 906 CA GLU A 57 14.793 0.711 -5.894 1.00 0.41 C ATOM 907 C GLU A 57 15.232 2.149 -5.652 1.00 0.36 C ATOM 908 O GLU A 57 14.956 3.040 -6.453 1.00 0.42 O ATOM 909 CB GLU A 57 15.052 0.317 -7.348 1.00 0.52 C ATOM 910 CG GLU A 57 16.529 0.148 -7.658 1.00 1.13 C ATOM 911 CD GLU A 57 16.817 0.018 -9.135 1.00 1.56 C ATOM 912 OE1 GLU A 57 16.399 -0.998 -9.729 1.00 1.84 O ATOM 913 OE2 GLU A 57 17.439 0.933 -9.712 1.00 2.33 O ATOM 0 H GLU A 57 12.738 0.761 -6.308 1.00 0.33 H new ATOM 0 HA GLU A 57 15.375 0.044 -5.258 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.531 -0.615 -7.565 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.632 1.078 -8.006 1.00 0.52 H new ATOM 0 HG2 GLU A 57 17.077 1.003 -7.262 1.00 1.13 H new ATOM 0 HG3 GLU A 57 16.903 -0.737 -7.142 1.00 1.13 H new ATOM 920 N LEU A 58 15.920 2.354 -4.545 1.00 0.41 N ATOM 921 CA LEU A 58 16.343 3.680 -4.120 1.00 0.42 C ATOM 922 C LEU A 58 17.406 4.253 -5.054 1.00 0.43 C ATOM 923 O LEU A 58 18.347 3.556 -5.442 1.00 0.60 O ATOM 924 CB LEU A 58 16.866 3.589 -2.682 1.00 0.62 C ATOM 925 CG LEU A 58 17.614 4.808 -2.139 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.743 6.056 -2.168 1.00 1.24 C ATOM 927 CD2 LEU A 58 18.089 4.517 -0.727 1.00 1.24 C ATOM 0 H LEU A 58 16.203 1.606 -3.912 1.00 0.41 H new ATOM 0 HA LEU A 58 15.491 4.359 -4.159 1.00 0.42 H new ATOM 0 HB2 LEU A 58 16.019 3.390 -2.025 1.00 0.62 H new ATOM 0 HB3 LEU A 58 17.530 2.727 -2.616 1.00 0.62 H new ATOM 0 HG LEU A 58 18.475 5.002 -2.779 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.307 6.902 -1.775 1.00 1.24 H new ATOM 0 HD12 LEU A 58 16.442 6.266 -3.194 1.00 1.24 H new ATOM 0 HD13 LEU A 58 15.856 5.895 -1.555 1.00 1.24 H new ATOM 0 HD21 LEU A 58 18.623 5.384 -0.337 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.230 4.303 -0.091 1.00 1.24 H new ATOM 0 HD23 LEU A 58 18.756 3.655 -0.738 1.00 1.24 H new ATOM 939 N GLN A 59 17.230 5.517 -5.433 1.00 0.37 N ATOM 940 CA GLN A 59 18.192 6.213 -6.269 1.00 0.48 C ATOM 941 C GLN A 59 18.846 7.330 -5.466 1.00 0.57 C ATOM 942 O GLN A 59 18.576 7.465 -4.274 1.00 0.58 O ATOM 943 CB GLN A 59 17.511 6.788 -7.510 1.00 0.53 C ATOM 944 CG GLN A 59 16.671 5.772 -8.269 1.00 1.13 C ATOM 945 CD GLN A 59 17.490 4.633 -8.842 1.00 1.75 C ATOM 946 OE1 GLN A 59 18.637 4.810 -9.255 1.00 2.50 O ATOM 947 NE2 GLN A 59 16.909 3.447 -8.845 1.00 2.33 N ATOM 0 H GLN A 59 16.421 6.080 -5.169 1.00 0.37 H new ATOM 0 HA GLN A 59 18.954 5.505 -6.595 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.876 7.622 -7.212 1.00 0.53 H new ATOM 0 HB3 GLN A 59 18.272 7.190 -8.179 1.00 0.53 H new ATOM 0 HG2 GLN A 59 15.912 5.365 -7.601 1.00 1.13 H new ATOM 0 HG3 GLN A 59 16.145 6.277 -9.079 1.00 1.13 H new ATOM 0 HE21 GLN A 59 15.957 3.345 -8.494 1.00 2.33 H new ATOM 0 HE22 GLN A 59 17.412 2.633 -9.199 1.00 2.33 H new ATOM 956 N GLU A 60 19.678 8.133 -6.108 1.00 0.69 N ATOM 957 CA GLU A 60 20.420 9.178 -5.410 1.00 0.82 C ATOM 958 C GLU A 60 19.502 10.187 -4.711 1.00 0.75 C ATOM 959 O GLU A 60 19.869 10.744 -3.677 1.00 0.89 O ATOM 960 CB GLU A 60 21.350 9.904 -6.383 1.00 1.05 C ATOM 961 CG GLU A 60 20.644 10.456 -7.609 1.00 1.11 C ATOM 962 CD GLU A 60 21.583 11.191 -8.538 1.00 1.47 C ATOM 963 OE1 GLU A 60 22.528 10.564 -9.052 1.00 1.73 O ATOM 964 OE2 GLU A 60 21.395 12.406 -8.742 1.00 1.79 O ATOM 0 H GLU A 60 19.859 8.084 -7.111 1.00 0.69 H new ATOM 0 HA GLU A 60 21.008 8.687 -4.635 1.00 0.82 H new ATOM 0 HB2 GLU A 60 21.841 10.723 -5.858 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.132 9.217 -6.704 1.00 1.05 H new ATOM 0 HG2 GLU A 60 20.170 9.637 -8.150 1.00 1.11 H new ATOM 0 HG3 GLU A 60 19.849 11.131 -7.293 1.00 1.11 H new ATOM 971 N ASP A 61 18.299 10.396 -5.236 1.00 0.64 N ATOM 972 CA ASP A 61 17.433 11.446 -4.710 1.00 0.70 C ATOM 973 C ASP A 61 16.195 10.828 -4.072 1.00 0.54 C ATOM 974 O ASP A 61 15.084 11.332 -4.212 1.00 0.50 O ATOM 975 CB ASP A 61 17.052 12.436 -5.822 1.00 0.92 C ATOM 976 CG ASP A 61 16.285 13.645 -5.313 1.00 1.18 C ATOM 977 OD1 ASP A 61 16.868 14.452 -4.554 1.00 1.41 O ATOM 978 OD2 ASP A 61 15.090 13.785 -5.649 1.00 1.26 O ATOM 0 H ASP A 61 17.906 9.863 -6.012 1.00 0.64 H new ATOM 0 HA ASP A 61 17.972 12.001 -3.942 1.00 0.70 H new ATOM 0 HB2 ASP A 61 17.958 12.774 -6.324 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.448 11.919 -6.568 1.00 0.92 H new ATOM 983 N ASN A 62 16.412 9.702 -3.388 1.00 0.52 N ATOM 984 CA ASN A 62 15.365 8.968 -2.651 1.00 0.46 C ATOM 985 C ASN A 62 14.100 8.722 -3.471 1.00 0.36 C ATOM 986 O ASN A 62 13.032 8.484 -2.915 1.00 0.41 O ATOM 987 CB ASN A 62 15.000 9.621 -1.301 1.00 0.57 C ATOM 988 CG ASN A 62 14.688 11.107 -1.367 1.00 0.70 C ATOM 989 OD1 ASN A 62 13.436 11.441 -1.644 1.00 1.36 O flip ATOM 990 ND2 ASN A 62 15.565 11.951 -1.168 1.00 1.35 N flip ATOM 0 H ASN A 62 17.331 9.263 -3.326 1.00 0.52 H new ATOM 0 HA ASN A 62 15.819 7.999 -2.445 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.136 9.102 -0.886 1.00 0.57 H new ATOM 0 HB3 ASN A 62 15.826 9.470 -0.607 1.00 0.57 H new ATOM 0 HD21 ASN A 62 16.518 11.656 -0.957 1.00 1.35 H new ATOM 0 HD22 ASN A 62 15.337 12.944 -1.214 1.00 1.35 H new ATOM 997 N SER A 63 14.212 8.771 -4.782 1.00 0.34 N ATOM 998 CA SER A 63 13.127 8.340 -5.629 1.00 0.30 C ATOM 999 C SER A 63 13.275 6.848 -5.843 1.00 0.29 C ATOM 1000 O SER A 63 14.314 6.386 -6.311 1.00 0.31 O ATOM 1001 CB SER A 63 13.150 9.078 -6.965 1.00 0.35 C ATOM 1002 OG SER A 63 13.306 10.476 -6.772 1.00 0.96 O ATOM 0 H SER A 63 15.039 9.103 -5.279 1.00 0.34 H new ATOM 0 HA SER A 63 12.171 8.564 -5.155 1.00 0.30 H new ATOM 0 HB2 SER A 63 13.966 8.699 -7.580 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.225 8.883 -7.508 1.00 0.35 H new ATOM 0 HG SER A 63 13.320 10.927 -7.642 1.00 0.96 H new ATOM 1008 N TYR A 64 12.272 6.089 -5.465 1.00 0.28 N ATOM 1009 CA TYR A 64 12.362 4.653 -5.589 1.00 0.28 C ATOM 1010 C TYR A 64 11.832 4.224 -6.941 1.00 0.29 C ATOM 1011 O TYR A 64 10.749 4.645 -7.348 1.00 0.30 O ATOM 1012 CB TYR A 64 11.539 3.966 -4.483 1.00 0.28 C ATOM 1013 CG TYR A 64 11.922 4.353 -3.060 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.214 4.765 -2.735 1.00 0.31 C ATOM 1015 CD2 TYR A 64 10.985 4.289 -2.036 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.554 5.105 -1.432 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.315 4.628 -0.738 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.599 5.034 -0.442 1.00 0.42 C ATOM 1019 OH TYR A 64 12.929 5.369 0.850 1.00 0.49 O ATOM 0 H TYR A 64 11.396 6.436 -5.074 1.00 0.28 H new ATOM 0 HA TYR A 64 13.407 4.360 -5.491 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.486 4.201 -4.636 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.644 2.886 -4.591 1.00 0.28 H new ATOM 0 HD1 TYR A 64 13.964 4.821 -3.510 1.00 0.31 H new ATOM 0 HD2 TYR A 64 9.978 3.968 -2.259 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.559 5.423 -1.197 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.570 4.575 0.042 1.00 0.45 H new ATOM 0 HH TYR A 64 12.143 5.266 1.426 1.00 0.49 H new ATOM 1029 N ASN A 65 12.588 3.384 -7.632 1.00 0.32 N ATOM 1030 CA ASN A 65 12.064 2.706 -8.797 1.00 0.36 C ATOM 1031 C ASN A 65 11.296 1.510 -8.302 1.00 0.32 C ATOM 1032 O ASN A 65 11.863 0.470 -7.982 1.00 0.37 O ATOM 1033 CB ASN A 65 13.164 2.267 -9.767 1.00 0.48 C ATOM 1034 CG ASN A 65 13.770 3.425 -10.538 1.00 1.24 C ATOM 1035 OD1 ASN A 65 13.146 4.473 -10.710 1.00 2.02 O ATOM 1036 ND2 ASN A 65 14.984 3.233 -11.034 1.00 1.96 N ATOM 0 H ASN A 65 13.557 3.160 -7.405 1.00 0.32 H new ATOM 0 HA ASN A 65 11.426 3.390 -9.357 1.00 0.36 H new ATOM 0 HB2 ASN A 65 13.950 1.757 -9.210 1.00 0.48 H new ATOM 0 HB3 ASN A 65 12.753 1.544 -10.471 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.434 3.968 -11.580 1.00 1.96 H new ATOM 0 HD22 ASN A 65 15.468 2.351 -10.869 1.00 1.96 H new ATOM 1043 N VAL A 66 10.005 1.681 -8.238 1.00 0.31 N ATOM 1044 CA VAL A 66 9.130 0.751 -7.573 1.00 0.29 C ATOM 1045 C VAL A 66 8.632 -0.290 -8.545 1.00 0.31 C ATOM 1046 O VAL A 66 7.684 -0.058 -9.291 1.00 0.37 O ATOM 1047 CB VAL A 66 7.960 1.521 -6.961 1.00 0.37 C ATOM 1048 CG1 VAL A 66 6.924 0.603 -6.309 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.500 2.592 -6.010 1.00 0.65 C ATOM 0 H VAL A 66 9.523 2.480 -8.651 1.00 0.31 H new ATOM 0 HA VAL A 66 9.676 0.236 -6.783 1.00 0.29 H new ATOM 0 HB VAL A 66 7.414 2.021 -7.761 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.117 1.204 -5.891 1.00 0.67 H new ATOM 0 HG12 VAL A 66 6.519 -0.078 -7.057 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.397 0.028 -5.513 1.00 0.67 H new ATOM 0 HG21 VAL A 66 7.668 3.143 -5.572 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.078 2.117 -5.217 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.140 3.280 -6.563 1.00 0.65 H new ATOM 1059 N THR A 67 9.279 -1.430 -8.533 1.00 0.34 N ATOM 1060 CA THR A 67 8.981 -2.467 -9.489 1.00 0.39 C ATOM 1061 C THR A 67 7.956 -3.427 -8.908 1.00 0.47 C ATOM 1062 O THR A 67 8.315 -4.345 -8.181 1.00 0.71 O ATOM 1063 CB THR A 67 10.251 -3.250 -9.860 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.311 -2.330 -10.158 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.008 -4.144 -11.067 1.00 0.74 C ATOM 0 H THR A 67 10.018 -1.663 -7.869 1.00 0.34 H new ATOM 0 HA THR A 67 8.581 -1.996 -10.387 1.00 0.39 H new ATOM 0 HB THR A 67 10.527 -3.878 -9.013 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.121 -2.829 -10.393 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.922 -4.686 -11.308 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.214 -4.855 -10.839 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.714 -3.532 -11.920 1.00 0.74 H new ATOM 1073 N SER A 68 6.687 -3.206 -9.221 1.00 0.44 N ATOM 1074 CA SER A 68 5.623 -4.056 -8.710 1.00 0.52 C ATOM 1075 C SER A 68 5.123 -5.005 -9.793 1.00 0.53 C ATOM 1076 O SER A 68 4.512 -4.583 -10.770 1.00 0.65 O ATOM 1077 CB SER A 68 4.478 -3.208 -8.143 1.00 0.60 C ATOM 1078 OG SER A 68 4.095 -2.173 -9.035 1.00 1.14 O ATOM 0 H SER A 68 6.371 -2.447 -9.825 1.00 0.44 H new ATOM 0 HA SER A 68 6.026 -4.660 -7.897 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.619 -3.847 -7.939 1.00 0.60 H new ATOM 0 HB3 SER A 68 4.785 -2.773 -7.192 1.00 0.60 H new ATOM 0 HG SER A 68 4.623 -2.238 -9.858 1.00 1.14 H new ATOM 1084 N ILE A 69 5.403 -6.287 -9.623 1.00 0.53 N ATOM 1085 CA ILE A 69 5.025 -7.281 -10.618 1.00 0.53 C ATOM 1086 C ILE A 69 3.600 -7.760 -10.417 1.00 0.60 C ATOM 1087 O ILE A 69 3.212 -8.178 -9.334 1.00 0.74 O ATOM 1088 CB ILE A 69 5.976 -8.497 -10.615 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.515 -9.516 -11.662 1.00 0.66 C ATOM 1090 CG2 ILE A 69 6.023 -9.137 -9.227 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.612 -10.423 -12.166 1.00 0.78 C ATOM 0 H ILE A 69 5.889 -6.664 -8.809 1.00 0.53 H new ATOM 0 HA ILE A 69 5.101 -6.783 -11.585 1.00 0.53 H new ATOM 0 HB ILE A 69 6.982 -8.161 -10.867 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.721 -10.128 -11.233 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.083 -8.981 -12.508 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.698 -9.993 -9.244 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.381 -8.406 -8.501 1.00 0.57 H new ATOM 0 HG23 ILE A 69 5.024 -9.469 -8.945 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.203 -11.114 -12.903 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.397 -9.823 -12.627 1.00 0.78 H new ATOM 0 HD13 ILE A 69 7.029 -10.987 -11.332 1.00 0.78 H new ATOM 1103 N LEU A 70 2.834 -7.699 -11.482 1.00 0.56 N ATOM 1104 CA LEU A 70 1.460 -8.142 -11.462 1.00 0.64 C ATOM 1105 C LEU A 70 1.142 -8.867 -12.751 1.00 0.64 C ATOM 1106 O LEU A 70 1.769 -8.630 -13.787 1.00 0.67 O ATOM 1107 CB LEU A 70 0.500 -6.960 -11.248 1.00 0.74 C ATOM 1108 CG LEU A 70 1.133 -5.558 -11.267 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.622 -5.179 -12.657 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.144 -4.523 -10.758 1.00 1.18 C ATOM 0 H LEU A 70 3.146 -7.341 -12.385 1.00 0.56 H new ATOM 0 HA LEU A 70 1.325 -8.828 -10.626 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.269 -6.999 -12.020 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.002 -7.096 -10.290 1.00 0.74 H new ATOM 0 HG LEU A 70 1.999 -5.580 -10.605 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.062 -4.182 -12.629 1.00 0.96 H new ATOM 0 HD12 LEU A 70 2.372 -5.898 -12.987 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.783 -5.185 -13.352 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.607 -3.537 -10.778 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.741 -4.521 -11.395 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.145 -4.768 -9.736 1.00 1.18 H new ATOM 1122 N VAL A 71 0.184 -9.766 -12.677 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.174 -10.582 -13.813 1.00 0.74 C ATOM 1124 C VAL A 71 -1.182 -9.839 -14.683 1.00 0.83 C ATOM 1125 O VAL A 71 -2.364 -9.749 -14.351 1.00 0.99 O ATOM 1126 CB VAL A 71 -0.742 -11.939 -13.353 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.785 -12.923 -14.510 1.00 0.88 C ATOM 1128 CG2 VAL A 71 0.084 -12.492 -12.194 1.00 0.84 C ATOM 0 H VAL A 71 -0.363 -9.949 -11.836 1.00 0.70 H new ATOM 0 HA VAL A 71 0.721 -10.779 -14.403 1.00 0.74 H new ATOM 0 HB VAL A 71 -1.764 -11.789 -13.004 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.189 -13.874 -14.164 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.420 -12.526 -15.302 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.223 -13.076 -14.895 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -0.328 -13.451 -11.879 1.00 0.84 H new ATOM 0 HG22 VAL A 71 1.116 -12.629 -12.516 1.00 0.84 H new ATOM 0 HG23 VAL A 71 0.054 -11.792 -11.359 1.00 0.84 H new ATOM 1186 N GLY A 75 -0.363 -12.838 -18.354 1.00 0.97 N ATOM 1187 CA GLY A 75 1.083 -12.866 -18.360 1.00 0.88 C ATOM 1188 C GLY A 75 1.637 -12.105 -17.181 1.00 0.81 C ATOM 1189 O GLY A 75 0.897 -11.404 -16.502 1.00 0.81 O ATOM 0 HA2 GLY A 75 1.432 -13.898 -18.329 1.00 0.88 H new ATOM 0 HA3 GLY A 75 1.456 -12.431 -19.287 1.00 0.88 H new ATOM 1193 N CYS A 76 2.928 -12.199 -16.944 1.00 0.79 N ATOM 1194 CA CYS A 76 3.514 -11.556 -15.782 1.00 0.73 C ATOM 1195 C CYS A 76 4.395 -10.400 -16.230 1.00 0.75 C ATOM 1196 O CYS A 76 5.257 -10.566 -17.093 1.00 0.92 O ATOM 1197 CB CYS A 76 4.342 -12.569 -14.988 1.00 0.78 C ATOM 1198 SG CYS A 76 5.532 -13.506 -16.009 1.00 1.26 S ATOM 0 H CYS A 76 3.588 -12.708 -17.532 1.00 0.79 H new ATOM 0 HA CYS A 76 2.719 -11.173 -15.142 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.885 -12.044 -14.202 1.00 0.78 H new ATOM 0 HB3 CYS A 76 3.668 -13.270 -14.496 1.00 0.78 H new ATOM 1203 N ARG A 77 4.170 -9.230 -15.653 1.00 0.65 N ATOM 1204 CA ARG A 77 4.907 -8.037 -16.041 1.00 0.67 C ATOM 1205 C ARG A 77 5.240 -7.202 -14.818 1.00 0.57 C ATOM 1206 O ARG A 77 4.493 -7.193 -13.838 1.00 0.56 O ATOM 1207 CB ARG A 77 4.086 -7.188 -17.018 1.00 0.79 C ATOM 1208 CG ARG A 77 3.795 -7.862 -18.350 1.00 1.22 C ATOM 1209 CD ARG A 77 5.061 -8.070 -19.164 1.00 1.46 C ATOM 1210 NE ARG A 77 4.780 -8.702 -20.449 1.00 2.14 N ATOM 1211 CZ ARG A 77 5.535 -8.559 -21.534 1.00 2.81 C ATOM 1212 NH1 ARG A 77 6.641 -7.828 -21.492 1.00 3.04 N ATOM 1213 NH2 ARG A 77 5.180 -9.152 -22.664 1.00 3.68 N ATOM 0 H ARG A 77 3.483 -9.081 -14.914 1.00 0.65 H new ATOM 0 HA ARG A 77 5.829 -8.355 -16.528 1.00 0.67 H new ATOM 0 HB2 ARG A 77 3.140 -6.925 -16.544 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.619 -6.256 -17.206 1.00 0.79 H new ATOM 0 HG2 ARG A 77 3.314 -8.824 -18.173 1.00 1.22 H new ATOM 0 HG3 ARG A 77 3.092 -7.254 -18.920 1.00 1.22 H new ATOM 0 HD2 ARG A 77 5.549 -7.109 -19.330 1.00 1.46 H new ATOM 0 HD3 ARG A 77 5.759 -8.688 -18.599 1.00 1.46 H new ATOM 0 HE ARG A 77 3.951 -9.292 -20.519 1.00 2.14 H new ATOM 0 HH11 ARG A 77 6.917 -7.371 -20.623 1.00 3.04 H new ATOM 0 HH12 ARG A 77 7.215 -7.723 -22.329 1.00 3.04 H new ATOM 0 HH21 ARG A 77 4.331 -9.715 -22.699 1.00 3.68 H new ATOM 0 HH22 ARG A 77 5.756 -9.045 -23.499 1.00 3.68 H new ATOM 1227 N TYR A 78 6.359 -6.504 -14.882 1.00 0.56 N ATOM 1228 CA TYR A 78 6.765 -5.618 -13.806 1.00 0.48 C ATOM 1229 C TYR A 78 6.238 -4.211 -14.065 1.00 0.47 C ATOM 1230 O TYR A 78 6.584 -3.579 -15.063 1.00 0.53 O ATOM 1231 CB TYR A 78 8.293 -5.594 -13.665 1.00 0.47 C ATOM 1232 CG TYR A 78 8.897 -6.922 -13.249 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.675 -7.461 -11.980 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.687 -7.645 -14.135 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.224 -8.678 -11.619 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.238 -8.860 -13.776 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.005 -9.372 -12.519 1.00 0.70 C ATOM 1238 OH TYR A 78 10.552 -10.584 -12.160 1.00 0.80 O ATOM 0 H TYR A 78 7.005 -6.534 -15.671 1.00 0.56 H new ATOM 0 HA TYR A 78 6.343 -5.992 -12.873 1.00 0.48 H new ATOM 0 HB2 TYR A 78 8.730 -5.290 -14.616 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.568 -4.836 -12.931 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.066 -6.920 -11.271 1.00 0.47 H new ATOM 0 HD2 TYR A 78 9.874 -7.250 -15.123 1.00 0.70 H new ATOM 0 HE1 TYR A 78 9.042 -9.084 -10.635 1.00 0.54 H new ATOM 0 HE2 TYR A 78 10.849 -9.406 -14.479 1.00 0.79 H new ATOM 0 HH TYR A 78 11.074 -10.942 -12.908 1.00 0.80 H new ATOM 1248 N TRP A 79 5.380 -3.743 -13.176 1.00 0.47 N ATOM 1249 CA TRP A 79 4.853 -2.392 -13.244 1.00 0.51 C ATOM 1250 C TRP A 79 5.722 -1.497 -12.375 1.00 0.46 C ATOM 1251 O TRP A 79 5.659 -1.574 -11.151 1.00 0.45 O ATOM 1252 CB TRP A 79 3.411 -2.391 -12.731 1.00 0.61 C ATOM 1253 CG TRP A 79 2.646 -1.129 -12.999 1.00 0.72 C ATOM 1254 CD1 TRP A 79 2.200 -0.679 -14.207 1.00 1.33 C ATOM 1255 CD2 TRP A 79 2.205 -0.172 -12.028 1.00 1.44 C ATOM 1256 NE1 TRP A 79 1.519 0.502 -14.046 1.00 1.23 N ATOM 1257 CE2 TRP A 79 1.506 0.833 -12.718 1.00 1.32 C ATOM 1258 CE3 TRP A 79 2.336 -0.068 -10.641 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 0.939 1.928 -12.069 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 1.773 1.016 -9.997 1.00 3.53 C ATOM 1261 CH2 TRP A 79 1.080 2.001 -10.710 1.00 3.20 C ATOM 0 H TRP A 79 5.030 -4.288 -12.388 1.00 0.47 H new ATOM 0 HA TRP A 79 4.861 -2.025 -14.270 1.00 0.51 H new ATOM 0 HB2 TRP A 79 2.878 -3.225 -13.187 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.423 -2.570 -11.656 1.00 0.61 H new ATOM 0 HD1 TRP A 79 2.359 -1.178 -15.151 1.00 1.33 H new ATOM 0 HE1 TRP A 79 1.091 1.046 -14.796 1.00 1.23 H new ATOM 0 HE3 TRP A 79 2.869 -0.823 -10.082 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 0.408 2.691 -12.619 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 1.869 1.105 -8.925 1.00 3.53 H new ATOM 0 HH2 TRP A 79 0.648 2.835 -10.177 1.00 3.20 H new ATOM 1272 N ILE A 80 6.547 -0.672 -12.993 1.00 0.46 N ATOM 1273 CA ILE A 80 7.490 0.129 -12.228 1.00 0.42 C ATOM 1274 C ILE A 80 7.056 1.590 -12.171 1.00 0.42 C ATOM 1275 O ILE A 80 6.882 2.243 -13.202 1.00 0.49 O ATOM 1276 CB ILE A 80 8.940 0.044 -12.771 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.393 -1.410 -12.961 1.00 0.48 C ATOM 1278 CG2 ILE A 80 9.892 0.739 -11.813 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.059 -1.993 -14.314 1.00 0.55 C ATOM 0 H ILE A 80 6.586 -0.538 -14.003 1.00 0.46 H new ATOM 0 HA ILE A 80 7.487 -0.293 -11.223 1.00 0.42 H new ATOM 0 HB ILE A 80 8.955 0.537 -13.743 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.471 -1.465 -12.811 1.00 0.48 H new ATOM 0 HG13 ILE A 80 8.932 -2.026 -12.189 1.00 0.48 H new ATOM 0 HG21 ILE A 80 10.909 0.676 -12.201 1.00 0.40 H new ATOM 0 HG22 ILE A 80 9.607 1.786 -11.712 1.00 0.40 H new ATOM 0 HG23 ILE A 80 9.845 0.255 -10.838 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.414 -3.022 -14.364 1.00 0.55 H new ATOM 0 HD12 ILE A 80 7.979 -1.974 -14.462 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.543 -1.404 -15.093 1.00 0.55 H new ATOM 1291 N ARG A 81 6.866 2.078 -10.952 1.00 0.41 N ATOM 1292 CA ARG A 81 6.509 3.471 -10.700 1.00 0.44 C ATOM 1293 C ARG A 81 7.534 4.096 -9.759 1.00 0.35 C ATOM 1294 O ARG A 81 8.580 3.505 -9.510 1.00 0.42 O ATOM 1295 CB ARG A 81 5.096 3.573 -10.115 1.00 0.57 C ATOM 1296 CG ARG A 81 4.115 4.242 -11.067 1.00 1.21 C ATOM 1297 CD ARG A 81 4.034 3.495 -12.387 1.00 1.97 C ATOM 1298 NE ARG A 81 3.449 4.305 -13.454 1.00 2.78 N ATOM 1299 CZ ARG A 81 3.332 3.889 -14.716 1.00 3.79 C ATOM 1300 NH1 ARG A 81 3.666 2.646 -15.040 1.00 4.16 N ATOM 1301 NH2 ARG A 81 2.872 4.710 -15.650 1.00 4.76 N ATOM 0 H ARG A 81 6.955 1.517 -10.105 1.00 0.41 H new ATOM 0 HA ARG A 81 6.515 4.017 -11.643 1.00 0.44 H new ATOM 0 HB2 ARG A 81 4.735 2.574 -9.870 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.133 4.136 -9.182 1.00 0.57 H new ATOM 0 HG2 ARG A 81 3.127 4.281 -10.607 1.00 1.21 H new ATOM 0 HG3 ARG A 81 4.424 5.272 -11.247 1.00 1.21 H new ATOM 0 HD2 ARG A 81 5.034 3.178 -12.683 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.439 2.591 -12.253 1.00 1.97 H new ATOM 0 HE ARG A 81 3.112 5.239 -13.221 1.00 2.78 H new ATOM 0 HH11 ARG A 81 4.013 2.008 -14.324 1.00 4.16 H new ATOM 0 HH12 ARG A 81 3.576 2.329 -16.005 1.00 4.16 H new ATOM 0 HH21 ARG A 81 2.606 5.664 -15.405 1.00 4.76 H new ATOM 0 HH22 ARG A 81 2.784 4.388 -16.614 1.00 4.76 H new ATOM 1315 N THR A 82 7.265 5.289 -9.251 1.00 0.41 N ATOM 1316 CA THR A 82 8.243 5.968 -8.416 1.00 0.35 C ATOM 1317 C THR A 82 7.636 6.390 -7.082 1.00 0.32 C ATOM 1318 O THR A 82 6.625 7.088 -7.039 1.00 0.36 O ATOM 1319 CB THR A 82 8.840 7.197 -9.138 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.274 6.819 -10.452 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.025 7.778 -8.366 1.00 0.36 C ATOM 0 H THR A 82 6.394 5.799 -9.398 1.00 0.41 H new ATOM 0 HA THR A 82 9.046 5.258 -8.220 1.00 0.35 H new ATOM 0 HB THR A 82 8.064 7.959 -9.201 1.00 0.38 H new ATOM 0 HG1 THR A 82 9.651 7.600 -10.909 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.421 8.641 -8.902 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.697 8.087 -7.374 1.00 0.36 H new ATOM 0 HG23 THR A 82 10.804 7.021 -8.271 1.00 0.36 H new ATOM 1329 N PHE A 83 8.256 5.939 -6.003 1.00 0.27 N ATOM 1330 CA PHE A 83 7.869 6.341 -4.658 1.00 0.26 C ATOM 1331 C PHE A 83 8.914 7.286 -4.114 1.00 0.26 C ATOM 1332 O PHE A 83 10.102 6.976 -4.109 1.00 0.36 O ATOM 1333 CB PHE A 83 7.728 5.135 -3.715 1.00 0.26 C ATOM 1334 CG PHE A 83 6.424 4.388 -3.821 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.206 5.049 -3.867 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.429 3.009 -3.881 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.022 4.337 -3.972 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.264 2.291 -3.988 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.052 2.953 -4.034 1.00 0.42 C ATOM 0 H PHE A 83 9.039 5.286 -6.033 1.00 0.27 H new ATOM 0 HA PHE A 83 6.896 6.829 -4.714 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.544 4.440 -3.915 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.848 5.481 -2.688 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.180 6.128 -3.821 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.371 2.483 -3.843 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.078 4.860 -4.005 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.295 1.213 -4.036 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.132 2.394 -4.118 1.00 0.42 H new ATOM 1349 N VAL A 84 8.474 8.442 -3.682 1.00 0.24 N ATOM 1350 CA VAL A 84 9.379 9.463 -3.205 1.00 0.24 C ATOM 1351 C VAL A 84 8.920 9.996 -1.852 1.00 0.24 C ATOM 1352 O VAL A 84 7.760 10.376 -1.687 1.00 0.27 O ATOM 1353 CB VAL A 84 9.480 10.632 -4.213 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.234 10.218 -5.469 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.096 11.125 -4.584 1.00 0.29 C ATOM 0 H VAL A 84 7.488 8.702 -3.650 1.00 0.24 H new ATOM 0 HA VAL A 84 10.363 9.007 -3.097 1.00 0.24 H new ATOM 0 HB VAL A 84 10.035 11.438 -3.733 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.287 11.062 -6.156 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.243 9.904 -5.201 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.713 9.391 -5.950 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.181 11.948 -5.294 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.529 10.312 -5.037 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.581 11.471 -3.688 1.00 0.29 H new ATOM 1365 N PRO A 85 9.804 9.958 -0.845 1.00 0.35 N ATOM 1366 CA PRO A 85 9.578 10.649 0.419 1.00 0.34 C ATOM 1367 C PRO A 85 9.211 12.109 0.184 1.00 0.38 C ATOM 1368 O PRO A 85 9.899 12.828 -0.546 1.00 0.52 O ATOM 1369 CB PRO A 85 10.924 10.537 1.133 1.00 0.49 C ATOM 1370 CG PRO A 85 11.535 9.296 0.585 1.00 0.78 C ATOM 1371 CD PRO A 85 11.066 9.202 -0.843 1.00 0.56 C ATOM 0 HA PRO A 85 8.755 10.223 0.992 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.550 11.407 0.938 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.796 10.473 2.214 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.623 9.340 0.637 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.224 8.422 1.157 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.792 9.633 -1.532 1.00 0.56 H new ATOM 0 HD3 PRO A 85 10.913 8.167 -1.147 1.00 0.56 H new ATOM 1379 N SER A 86 8.102 12.511 0.778 1.00 0.34 N ATOM 1380 CA SER A 86 7.585 13.864 0.660 1.00 0.46 C ATOM 1381 C SER A 86 8.464 14.846 1.444 1.00 0.58 C ATOM 1382 O SER A 86 9.663 14.627 1.610 1.00 0.93 O ATOM 1383 CB SER A 86 6.149 13.883 1.194 1.00 0.53 C ATOM 1384 OG SER A 86 5.488 15.111 0.926 1.00 1.27 O ATOM 0 H SER A 86 7.529 11.902 1.362 1.00 0.34 H new ATOM 0 HA SER A 86 7.594 14.173 -0.385 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.586 13.065 0.744 1.00 0.53 H new ATOM 0 HB3 SER A 86 6.162 13.708 2.270 1.00 0.53 H new ATOM 0 HG SER A 86 4.947 15.367 1.702 1.00 1.27 H new ATOM 1390 N SER A 87 7.854 15.916 1.935 1.00 0.75 N ATOM 1391 CA SER A 87 8.560 16.932 2.702 1.00 0.90 C ATOM 1392 C SER A 87 9.257 16.333 3.925 1.00 0.79 C ATOM 1393 O SER A 87 10.240 16.885 4.425 1.00 0.89 O ATOM 1394 CB SER A 87 7.584 18.038 3.126 1.00 1.12 C ATOM 1395 OG SER A 87 8.242 19.060 3.855 1.00 1.70 O ATOM 0 H SER A 87 6.859 16.104 1.813 1.00 0.75 H new ATOM 0 HA SER A 87 9.333 17.361 2.064 1.00 0.90 H new ATOM 0 HB2 SER A 87 7.112 18.467 2.242 1.00 1.12 H new ATOM 0 HB3 SER A 87 6.789 17.609 3.736 1.00 1.12 H new ATOM 0 HG SER A 87 7.594 19.750 4.109 1.00 1.70 H new ATOM 1401 N ARG A 88 8.770 15.195 4.392 1.00 0.64 N ATOM 1402 CA ARG A 88 9.378 14.542 5.533 1.00 0.58 C ATOM 1403 C ARG A 88 9.378 13.029 5.324 1.00 0.49 C ATOM 1404 O ARG A 88 8.429 12.474 4.758 1.00 0.46 O ATOM 1405 CB ARG A 88 8.648 14.946 6.828 1.00 0.66 C ATOM 1406 CG ARG A 88 7.233 14.399 6.971 1.00 0.75 C ATOM 1407 CD ARG A 88 7.241 13.041 7.651 1.00 1.11 C ATOM 1408 NE ARG A 88 5.895 12.548 7.952 1.00 1.51 N ATOM 1409 CZ ARG A 88 5.084 13.092 8.866 1.00 1.84 C ATOM 1410 NH1 ARG A 88 5.488 14.135 9.585 1.00 1.95 N ATOM 1411 NH2 ARG A 88 3.879 12.574 9.077 1.00 2.59 N ATOM 0 H ARG A 88 7.962 14.710 4.001 1.00 0.64 H new ATOM 0 HA ARG A 88 10.415 14.864 5.630 1.00 0.58 H new ATOM 0 HB2 ARG A 88 9.239 14.609 7.680 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.607 16.034 6.879 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.627 15.096 7.550 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.771 14.315 5.988 1.00 0.75 H new ATOM 0 HD2 ARG A 88 7.751 12.322 7.010 1.00 1.11 H new ATOM 0 HD3 ARG A 88 7.814 13.106 8.576 1.00 1.11 H new ATOM 0 HE ARG A 88 5.555 11.739 7.432 1.00 1.51 H new ATOM 0 HH11 ARG A 88 6.420 14.524 9.441 1.00 1.95 H new ATOM 0 HH12 ARG A 88 4.866 14.546 10.281 1.00 1.95 H new ATOM 0 HH21 ARG A 88 3.572 11.761 8.542 1.00 2.59 H new ATOM 0 HH22 ARG A 88 3.260 12.989 9.774 1.00 2.59 H new ATOM 1425 N PRO A 89 10.457 12.354 5.753 1.00 0.49 N ATOM 1426 CA PRO A 89 10.599 10.899 5.615 1.00 0.48 C ATOM 1427 C PRO A 89 9.438 10.149 6.251 1.00 0.48 C ATOM 1428 O PRO A 89 9.020 10.461 7.363 1.00 0.62 O ATOM 1429 CB PRO A 89 11.905 10.591 6.350 1.00 0.58 C ATOM 1430 CG PRO A 89 12.665 11.870 6.327 1.00 0.70 C ATOM 1431 CD PRO A 89 11.635 12.960 6.401 1.00 0.56 C ATOM 0 HA PRO A 89 10.605 10.587 4.571 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.716 10.262 7.372 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.459 9.793 5.855 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.357 11.929 7.167 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.260 11.955 5.417 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.425 13.246 7.432 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.963 13.860 5.880 1.00 0.56 H new ATOM 1439 N GLY A 90 8.914 9.169 5.534 1.00 0.41 N ATOM 1440 CA GLY A 90 7.762 8.436 6.009 1.00 0.42 C ATOM 1441 C GLY A 90 6.531 8.755 5.194 1.00 0.38 C ATOM 1442 O GLY A 90 5.760 7.864 4.849 1.00 0.43 O ATOM 0 H GLY A 90 9.268 8.867 4.627 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.965 7.366 5.961 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.580 8.679 7.056 1.00 0.42 H new ATOM 1446 N GLN A 91 6.364 10.034 4.871 1.00 0.33 N ATOM 1447 CA GLN A 91 5.275 10.468 4.008 1.00 0.31 C ATOM 1448 C GLN A 91 5.658 10.177 2.571 1.00 0.26 C ATOM 1449 O GLN A 91 6.610 10.757 2.056 1.00 0.30 O ATOM 1450 CB GLN A 91 5.015 11.972 4.168 1.00 0.39 C ATOM 1451 CG GLN A 91 3.760 12.445 3.452 1.00 0.61 C ATOM 1452 CD GLN A 91 3.522 13.937 3.595 1.00 0.61 C ATOM 1453 OE1 GLN A 91 4.463 14.724 3.704 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.259 14.330 3.585 1.00 1.03 N ATOM 0 H GLN A 91 6.971 10.787 5.195 1.00 0.33 H new ATOM 0 HA GLN A 91 4.366 9.933 4.283 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.931 12.208 5.229 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.873 12.525 3.786 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.836 12.195 2.394 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.899 11.906 3.846 1.00 0.61 H new ATOM 0 HE21 GLN A 91 1.512 13.642 3.492 1.00 1.03 H new ATOM 0 HE22 GLN A 91 2.033 15.321 3.670 1.00 1.03 H new ATOM 1463 N PHE A 92 4.950 9.268 1.932 1.00 0.24 N ATOM 1464 CA PHE A 92 5.285 8.900 0.572 1.00 0.24 C ATOM 1465 C PHE A 92 4.346 9.544 -0.426 1.00 0.26 C ATOM 1466 O PHE A 92 3.144 9.654 -0.196 1.00 0.35 O ATOM 1467 CB PHE A 92 5.272 7.384 0.385 1.00 0.31 C ATOM 1468 CG PHE A 92 6.407 6.682 1.066 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.694 7.188 0.987 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.190 5.511 1.773 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.743 6.540 1.601 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.237 4.858 2.390 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.515 5.374 2.303 1.00 0.48 C ATOM 0 H PHE A 92 4.149 8.776 2.327 1.00 0.24 H new ATOM 0 HA PHE A 92 6.294 9.267 0.387 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.331 6.988 0.766 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.304 7.158 -0.681 1.00 0.31 H new ATOM 0 HD1 PHE A 92 7.877 8.100 0.438 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.192 5.105 1.842 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.742 6.944 1.533 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.058 3.946 2.940 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.337 4.865 2.785 1.00 0.48 H new ATOM 1483 N THR A 93 4.926 9.982 -1.520 1.00 0.23 N ATOM 1484 CA THR A 93 4.189 10.493 -2.653 1.00 0.27 C ATOM 1485 C THR A 93 4.793 9.891 -3.914 1.00 0.26 C ATOM 1486 O THR A 93 5.732 9.091 -3.834 1.00 0.25 O ATOM 1487 CB THR A 93 4.181 12.044 -2.711 1.00 0.35 C ATOM 1488 OG1 THR A 93 3.547 12.513 -3.908 1.00 1.29 O ATOM 1489 CG2 THR A 93 5.584 12.629 -2.605 1.00 0.92 C ATOM 0 H THR A 93 5.938 9.993 -1.650 1.00 0.23 H new ATOM 0 HA THR A 93 3.143 10.203 -2.558 1.00 0.27 H new ATOM 0 HB THR A 93 3.608 12.385 -1.849 1.00 0.35 H new ATOM 0 HG1 THR A 93 3.266 13.444 -3.786 1.00 1.29 H new ATOM 0 HG21 THR A 93 5.529 13.717 -2.650 1.00 0.92 H new ATOM 0 HG22 THR A 93 6.033 12.327 -1.659 1.00 0.92 H new ATOM 0 HG23 THR A 93 6.195 12.262 -3.430 1.00 0.92 H new ATOM 1497 N LEU A 94 4.266 10.245 -5.063 1.00 0.34 N ATOM 1498 CA LEU A 94 4.698 9.616 -6.306 1.00 0.37 C ATOM 1499 C LEU A 94 5.768 10.447 -6.978 1.00 0.34 C ATOM 1500 O LEU A 94 5.669 11.669 -7.063 1.00 0.39 O ATOM 1501 CB LEU A 94 3.543 9.445 -7.298 1.00 0.54 C ATOM 1502 CG LEU A 94 2.417 8.512 -6.876 1.00 0.50 C ATOM 1503 CD1 LEU A 94 2.969 7.280 -6.172 1.00 0.88 C ATOM 1504 CD2 LEU A 94 1.400 9.255 -6.021 1.00 0.75 C ATOM 0 H LEU A 94 3.544 10.957 -5.171 1.00 0.34 H new ATOM 0 HA LEU A 94 5.085 8.634 -6.035 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.115 10.428 -7.496 1.00 0.54 H new ATOM 0 HB3 LEU A 94 3.953 9.080 -8.240 1.00 0.54 H new ATOM 0 HG LEU A 94 1.898 8.163 -7.769 1.00 0.50 H new ATOM 0 HD11 LEU A 94 2.146 6.628 -5.880 1.00 0.88 H new ATOM 0 HD12 LEU A 94 3.635 6.743 -6.847 1.00 0.88 H new ATOM 0 HD13 LEU A 94 3.522 7.586 -5.284 1.00 0.88 H new ATOM 0 HD21 LEU A 94 0.602 8.572 -5.729 1.00 0.75 H new ATOM 0 HD22 LEU A 94 1.890 9.644 -5.128 1.00 0.75 H new ATOM 0 HD23 LEU A 94 0.978 10.082 -6.593 1.00 0.75 H new ATOM 1516 N GLY A 95 6.789 9.742 -7.466 1.00 0.32 N ATOM 1517 CA GLY A 95 7.920 10.364 -8.128 1.00 0.34 C ATOM 1518 C GLY A 95 7.500 11.286 -9.259 1.00 0.46 C ATOM 1519 O GLY A 95 8.204 12.236 -9.592 1.00 0.88 O ATOM 0 H GLY A 95 6.849 8.725 -7.410 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.497 10.931 -7.397 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.577 9.589 -8.521 1.00 0.34 H new ATOM 1523 N ASN A 96 6.345 10.994 -9.848 1.00 0.57 N ATOM 1524 CA ASN A 96 5.783 11.822 -10.910 1.00 0.71 C ATOM 1525 C ASN A 96 4.286 12.026 -10.675 1.00 0.61 C ATOM 1526 O ASN A 96 3.493 12.041 -11.616 1.00 0.66 O ATOM 1527 CB ASN A 96 6.015 11.184 -12.290 1.00 0.98 C ATOM 1528 CG ASN A 96 7.480 10.905 -12.573 1.00 1.89 C ATOM 1529 OD1 ASN A 96 7.985 9.821 -12.275 1.00 2.72 O ATOM 1530 ND2 ASN A 96 8.173 11.869 -13.155 1.00 2.42 N ATOM 0 H ASN A 96 5.776 10.183 -9.605 1.00 0.57 H new ATOM 0 HA ASN A 96 6.287 12.788 -10.892 1.00 0.71 H new ATOM 0 HB2 ASN A 96 5.454 10.251 -12.352 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.621 11.845 -13.061 1.00 0.98 H new ATOM 0 HD21 ASN A 96 9.160 11.728 -13.372 1.00 2.42 H new ATOM 0 HD22 ASN A 96 7.721 12.753 -13.387 1.00 2.42 H new ATOM 1537 N ILE A 97 3.913 12.188 -9.403 1.00 0.55 N ATOM 1538 CA ILE A 97 2.509 12.360 -8.999 1.00 0.57 C ATOM 1539 C ILE A 97 1.861 13.551 -9.697 1.00 0.74 C ATOM 1540 O ILE A 97 0.679 13.532 -10.039 1.00 0.88 O ATOM 1541 CB ILE A 97 2.399 12.578 -7.469 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.955 12.884 -7.055 1.00 0.68 C ATOM 1543 CG2 ILE A 97 3.328 13.715 -7.036 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.771 12.942 -5.558 1.00 1.20 C ATOM 0 H ILE A 97 4.571 12.204 -8.624 1.00 0.55 H new ATOM 0 HA ILE A 97 1.989 11.447 -9.288 1.00 0.57 H new ATOM 0 HB ILE A 97 2.702 11.658 -6.970 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.652 13.836 -7.490 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.295 12.121 -7.467 1.00 0.68 H new ATOM 0 HG21 ILE A 97 3.245 13.862 -5.959 1.00 0.60 H new ATOM 0 HG22 ILE A 97 4.357 13.460 -7.289 1.00 0.60 H new ATOM 0 HG23 ILE A 97 3.044 14.633 -7.551 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.271 13.162 -5.328 1.00 1.20 H new ATOM 0 HD12 ILE A 97 1.044 11.982 -5.120 1.00 1.20 H new ATOM 0 HD13 ILE A 97 1.407 13.724 -5.143 1.00 1.20 H new ATOM 1556 N HIS A 98 2.667 14.568 -9.930 1.00 0.85 N ATOM 1557 CA HIS A 98 2.191 15.857 -10.392 1.00 1.12 C ATOM 1558 C HIS A 98 1.700 15.786 -11.840 1.00 1.14 C ATOM 1559 O HIS A 98 1.159 16.754 -12.367 1.00 1.38 O ATOM 1560 CB HIS A 98 3.333 16.858 -10.237 1.00 1.38 C ATOM 1561 CG HIS A 98 2.904 18.277 -10.003 1.00 2.01 C ATOM 1562 ND1 HIS A 98 3.450 19.061 -9.013 1.00 2.88 N ATOM 1563 CD2 HIS A 98 2.000 19.059 -10.640 1.00 2.69 C ATOM 1564 CE1 HIS A 98 2.899 20.257 -9.045 1.00 3.63 C ATOM 1565 NE2 HIS A 98 2.016 20.286 -10.025 1.00 3.56 N ATOM 0 H HIS A 98 3.678 14.523 -9.803 1.00 0.85 H new ATOM 0 HA HIS A 98 1.335 16.174 -9.796 1.00 1.12 H new ATOM 0 HB2 HIS A 98 3.962 16.542 -9.405 1.00 1.38 H new ATOM 0 HB3 HIS A 98 3.950 16.824 -11.135 1.00 1.38 H new ATOM 0 HD2 HIS A 98 1.381 18.771 -11.477 1.00 2.69 H new ATOM 0 HE1 HIS A 98 3.131 21.076 -8.381 1.00 3.63 H new ATOM 0 HE2 HIS A 98 1.440 21.088 -10.283 1.00 3.56 H new ATOM 1574 N SER A 99 1.874 14.636 -12.469 1.00 0.99 N ATOM 1575 CA SER A 99 1.420 14.445 -13.836 1.00 1.16 C ATOM 1576 C SER A 99 0.011 13.860 -13.870 1.00 1.22 C ATOM 1577 O SER A 99 -0.643 13.847 -14.913 1.00 1.30 O ATOM 1578 CB SER A 99 2.391 13.530 -14.575 1.00 1.24 C ATOM 1579 OG SER A 99 3.716 14.027 -14.481 1.00 1.79 O ATOM 0 H SER A 99 2.326 13.821 -12.055 1.00 0.99 H new ATOM 0 HA SER A 99 1.391 15.416 -14.331 1.00 1.16 H new ATOM 0 HB2 SER A 99 2.343 12.525 -14.155 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.100 13.452 -15.622 1.00 1.24 H new ATOM 0 HG SER A 99 4.325 13.427 -14.959 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.458 13.393 -12.722 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.772 12.776 -12.631 1.00 1.30 C ATOM 1587 C TYR A 100 -2.836 13.830 -12.338 1.00 1.17 C ATOM 1588 O TYR A 100 -2.751 14.564 -11.355 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.774 11.674 -11.575 1.00 1.63 C ATOM 1590 CG TYR A 100 -0.787 10.563 -11.873 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -1.052 9.624 -12.864 1.00 3.75 C ATOM 1592 CD2 TYR A 100 0.411 10.460 -11.179 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -0.153 8.615 -13.150 1.00 4.83 C ATOM 1594 CE2 TYR A 100 1.318 9.454 -11.463 1.00 3.91 C ATOM 1595 CZ TYR A 100 1.031 8.534 -12.449 1.00 4.89 C ATOM 1596 OH TYR A 100 1.934 7.535 -12.744 1.00 5.98 O ATOM 0 H TYR A 100 0.053 13.430 -11.840 1.00 1.23 H new ATOM 0 HA TYR A 100 -2.011 12.317 -13.590 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.539 12.109 -10.604 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -2.776 11.252 -11.501 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -1.976 9.685 -13.419 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.639 11.177 -10.404 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -0.377 7.892 -13.920 1.00 4.83 H new ATOM 0 HE2 TYR A 100 2.246 9.390 -10.915 1.00 3.91 H new ATOM 0 HH TYR A 100 2.717 7.619 -12.161 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.855 13.896 -13.208 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.846 14.979 -13.221 1.00 1.04 C ATOM 1608 C PRO A 101 -5.915 14.871 -12.131 1.00 0.89 C ATOM 1609 O PRO A 101 -6.231 15.860 -11.468 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.483 14.838 -14.603 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.370 13.389 -14.931 1.00 1.28 C ATOM 1612 CD PRO A 101 -4.118 12.891 -14.253 1.00 1.21 C ATOM 0 HA PRO A 101 -4.375 15.942 -13.025 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.524 15.161 -14.593 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.966 15.452 -15.341 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -6.245 12.843 -14.579 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -5.313 13.239 -16.009 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.263 11.899 -13.825 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -3.287 12.817 -14.954 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.483 13.680 -11.955 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.581 13.488 -11.010 1.00 0.74 C ATOM 1622 C GLN A 102 -7.072 13.541 -9.577 1.00 0.63 C ATOM 1623 O GLN A 102 -7.814 13.860 -8.648 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.278 12.149 -11.269 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.485 11.902 -10.378 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.096 10.527 -10.593 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -9.729 9.558 -9.932 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -11.028 10.428 -11.527 1.00 1.73 N ATOM 0 H GLN A 102 -6.202 12.835 -12.453 1.00 0.82 H new ATOM 0 HA GLN A 102 -8.300 14.295 -11.154 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.594 12.110 -12.311 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.560 11.342 -11.123 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -9.189 12.005 -9.334 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -10.238 12.665 -10.573 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -11.309 11.253 -12.057 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.466 9.527 -11.717 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.795 13.243 -9.413 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.185 13.153 -8.098 1.00 0.51 C ATOM 1639 C ILE A 103 -5.035 14.543 -7.484 1.00 0.52 C ATOM 1640 O ILE A 103 -4.361 15.421 -8.026 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.802 12.434 -8.144 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -3.952 10.951 -8.534 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.084 12.545 -6.798 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.437 10.706 -9.955 1.00 1.10 C ATOM 0 H ILE A 103 -5.154 13.057 -10.184 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.847 12.554 -7.473 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.204 12.932 -8.907 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -2.989 10.458 -8.405 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.648 10.477 -7.842 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.122 12.036 -6.856 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.924 13.596 -6.556 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.693 12.083 -6.021 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.511 9.633 -10.134 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.417 11.164 -10.089 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.732 11.144 -10.661 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.704 14.723 -6.359 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.681 15.968 -5.606 1.00 0.48 C ATOM 1658 C GLN A 104 -4.391 16.045 -4.814 1.00 0.50 C ATOM 1659 O GLN A 104 -3.660 17.031 -4.866 1.00 0.63 O ATOM 1660 CB GLN A 104 -6.883 15.992 -4.657 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.139 15.452 -5.307 1.00 0.43 C ATOM 1662 CD GLN A 104 -8.806 16.465 -6.222 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.439 16.102 -7.208 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.678 17.742 -5.899 1.00 0.98 N ATOM 0 H GLN A 104 -6.286 14.000 -5.936 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.736 16.822 -6.282 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.654 15.403 -3.769 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.060 17.015 -4.324 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -7.892 14.558 -5.880 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.843 15.149 -4.532 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.144 18.008 -5.071 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.113 18.460 -6.478 1.00 0.98 H new ATOM 1673 N SER A 105 -4.122 14.968 -4.103 1.00 0.40 N ATOM 1674 CA SER A 105 -2.916 14.823 -3.320 1.00 0.41 C ATOM 1675 C SER A 105 -2.714 13.346 -3.044 1.00 0.36 C ATOM 1676 O SER A 105 -3.677 12.573 -3.085 1.00 0.39 O ATOM 1677 CB SER A 105 -3.028 15.600 -2.002 1.00 0.48 C ATOM 1678 OG SER A 105 -4.092 15.102 -1.202 1.00 1.13 O ATOM 0 H SER A 105 -4.744 14.161 -4.054 1.00 0.40 H new ATOM 0 HA SER A 105 -2.065 15.227 -3.869 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.090 15.526 -1.452 1.00 0.48 H new ATOM 0 HB3 SER A 105 -3.191 16.657 -2.212 1.00 0.48 H new ATOM 0 HG SER A 105 -4.141 15.613 -0.367 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.485 12.945 -2.790 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.204 11.560 -2.479 1.00 0.34 C ATOM 1686 C TYR A 106 -0.127 11.486 -1.413 1.00 0.36 C ATOM 1687 O TYR A 106 1.018 11.878 -1.645 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.770 10.801 -3.733 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.735 9.307 -3.542 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.392 8.685 -3.031 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.833 8.524 -3.855 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.427 7.318 -2.843 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.809 7.157 -3.673 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.678 6.559 -3.167 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.655 5.197 -2.988 1.00 0.52 O ATOM 0 H TYR A 106 -0.668 13.556 -2.793 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.113 11.092 -2.101 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.452 11.040 -4.549 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.220 11.145 -4.034 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.257 9.279 -2.776 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.724 8.992 -4.248 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.313 6.846 -2.445 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.673 6.560 -3.926 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.514 4.816 -3.265 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.501 10.997 -0.248 1.00 0.34 N ATOM 1706 CA ASP A 107 0.411 10.923 0.877 1.00 0.36 C ATOM 1707 C ASP A 107 0.166 9.663 1.692 1.00 0.38 C ATOM 1708 O ASP A 107 -0.950 9.387 2.123 1.00 0.46 O ATOM 1709 CB ASP A 107 0.309 12.179 1.757 1.00 0.48 C ATOM 1710 CG ASP A 107 -1.119 12.658 1.978 1.00 1.27 C ATOM 1711 OD1 ASP A 107 -1.649 13.380 1.116 1.00 1.31 O ATOM 1712 OD2 ASP A 107 -1.729 12.273 3.005 1.00 2.25 O ATOM 0 H ASP A 107 -1.438 10.642 -0.054 1.00 0.34 H new ATOM 0 HA ASP A 107 1.426 10.876 0.483 1.00 0.36 H new ATOM 0 HB2 ASP A 107 0.767 11.972 2.724 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.885 12.982 1.297 1.00 0.48 H new ATOM 1717 N VAL A 108 1.217 8.878 1.853 1.00 0.38 N ATOM 1718 CA VAL A 108 1.146 7.640 2.620 1.00 0.44 C ATOM 1719 C VAL A 108 2.103 7.676 3.818 1.00 0.47 C ATOM 1720 O VAL A 108 3.164 8.291 3.747 1.00 0.58 O ATOM 1721 CB VAL A 108 1.443 6.399 1.715 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.832 6.817 0.301 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.529 5.511 2.305 1.00 0.70 C ATOM 0 H VAL A 108 2.138 9.076 1.461 1.00 0.38 H new ATOM 0 HA VAL A 108 0.129 7.547 3.001 1.00 0.44 H new ATOM 0 HB VAL A 108 0.518 5.824 1.669 1.00 0.48 H new ATOM 0 HG11 VAL A 108 2.031 5.929 -0.299 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.016 7.383 -0.148 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.727 7.438 0.338 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.703 4.662 1.644 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.450 6.084 2.410 1.00 0.70 H new ATOM 0 HG23 VAL A 108 2.212 5.151 3.284 1.00 0.70 H new ATOM 1733 N GLN A 109 1.701 7.047 4.923 1.00 0.44 N ATOM 1734 CA GLN A 109 2.585 6.837 6.071 1.00 0.50 C ATOM 1735 C GLN A 109 2.659 5.357 6.386 1.00 0.30 C ATOM 1736 O GLN A 109 1.650 4.652 6.309 1.00 0.29 O ATOM 1737 CB GLN A 109 2.088 7.532 7.342 1.00 0.85 C ATOM 1738 CG GLN A 109 2.094 9.048 7.325 1.00 0.92 C ATOM 1739 CD GLN A 109 3.459 9.647 7.085 1.00 2.08 C ATOM 1740 OE1 GLN A 109 3.478 10.828 6.499 1.00 2.86 O flip ATOM 1741 NE2 GLN A 109 4.480 9.076 7.446 1.00 2.81 N flip ATOM 0 H GLN A 109 0.761 6.671 5.048 1.00 0.44 H new ATOM 0 HA GLN A 109 3.552 7.255 5.792 1.00 0.50 H new ATOM 0 HB2 GLN A 109 1.070 7.196 7.540 1.00 0.85 H new ATOM 0 HB3 GLN A 109 2.702 7.197 8.178 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.413 9.396 6.549 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.708 9.415 8.276 1.00 0.92 H new ATOM 0 HE21 GLN A 109 4.422 8.162 7.896 1.00 2.81 H new ATOM 0 HE22 GLN A 109 5.389 9.514 7.297 1.00 2.81 H new ATOM 1750 N VAL A 110 3.831 4.885 6.760 1.00 0.33 N ATOM 1751 CA VAL A 110 3.946 3.537 7.274 1.00 0.27 C ATOM 1752 C VAL A 110 3.889 3.592 8.803 1.00 0.30 C ATOM 1753 O VAL A 110 4.766 4.159 9.457 1.00 0.41 O ATOM 1754 CB VAL A 110 5.235 2.820 6.779 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.499 3.506 7.260 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.246 1.357 7.207 1.00 0.77 C ATOM 0 H VAL A 110 4.706 5.407 6.719 1.00 0.33 H new ATOM 0 HA VAL A 110 3.114 2.945 6.894 1.00 0.27 H new ATOM 0 HB VAL A 110 5.220 2.875 5.691 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.370 2.967 6.887 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.521 4.531 6.889 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.516 3.514 8.350 1.00 0.76 H new ATOM 0 HG21 VAL A 110 6.158 0.880 6.848 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.208 1.296 8.295 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.380 0.848 6.785 1.00 0.77 H new ATOM 1766 N ALA A 111 2.815 3.033 9.357 1.00 0.29 N ATOM 1767 CA ALA A 111 2.563 3.072 10.794 1.00 0.36 C ATOM 1768 C ALA A 111 3.716 2.443 11.552 1.00 0.37 C ATOM 1769 O ALA A 111 4.092 2.897 12.633 1.00 0.44 O ATOM 1770 CB ALA A 111 1.258 2.364 11.118 1.00 0.42 C ATOM 0 H ALA A 111 2.098 2.542 8.823 1.00 0.29 H new ATOM 0 HA ALA A 111 2.478 4.113 11.106 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.082 2.400 12.193 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.437 2.859 10.599 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.318 1.325 10.795 1.00 0.42 H new ATOM 1776 N ASP A 112 4.261 1.381 10.985 1.00 0.35 N ATOM 1777 CA ASP A 112 5.492 0.796 11.488 1.00 0.46 C ATOM 1778 C ASP A 112 6.090 -0.122 10.442 1.00 0.37 C ATOM 1779 O ASP A 112 5.376 -0.854 9.760 1.00 0.35 O ATOM 1780 CB ASP A 112 5.290 0.052 12.816 1.00 0.67 C ATOM 1781 CG ASP A 112 4.480 -1.217 12.689 1.00 1.36 C ATOM 1782 OD1 ASP A 112 3.242 -1.117 12.567 1.00 2.20 O ATOM 1783 OD2 ASP A 112 5.082 -2.307 12.661 1.00 1.88 O ATOM 0 H ASP A 112 3.869 0.904 10.173 1.00 0.35 H new ATOM 0 HA ASP A 112 6.185 1.612 11.692 1.00 0.46 H new ATOM 0 HB2 ASP A 112 6.266 -0.192 13.237 1.00 0.67 H new ATOM 0 HB3 ASP A 112 4.795 0.718 13.523 1.00 0.67 H new ATOM 1788 N THR A 113 7.395 -0.030 10.282 1.00 0.37 N ATOM 1789 CA THR A 113 8.103 -0.812 9.291 1.00 0.36 C ATOM 1790 C THR A 113 9.365 -1.411 9.904 1.00 0.44 C ATOM 1791 O THR A 113 10.017 -0.775 10.735 1.00 0.55 O ATOM 1792 CB THR A 113 8.469 0.051 8.060 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.142 -0.749 7.085 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.365 1.233 8.446 1.00 0.51 C ATOM 0 H THR A 113 7.992 0.587 10.833 1.00 0.37 H new ATOM 0 HA THR A 113 7.447 -1.617 8.959 1.00 0.36 H new ATOM 0 HB THR A 113 7.540 0.444 7.646 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.213 -0.250 6.245 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.601 1.816 7.556 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.844 1.864 9.166 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.288 0.860 8.891 1.00 0.51 H new ATOM 1802 N ASP A 114 9.685 -2.641 9.536 1.00 0.43 N ATOM 1803 CA ASP A 114 10.925 -3.267 9.981 1.00 0.57 C ATOM 1804 C ASP A 114 11.511 -4.137 8.869 1.00 0.64 C ATOM 1805 O ASP A 114 10.792 -4.590 7.986 1.00 0.61 O ATOM 1806 CB ASP A 114 10.679 -4.086 11.245 1.00 0.60 C ATOM 1807 CG ASP A 114 11.954 -4.653 11.828 1.00 1.24 C ATOM 1808 OD1 ASP A 114 12.596 -3.960 12.639 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.321 -5.791 11.473 1.00 2.10 O ATOM 0 H ASP A 114 9.107 -3.226 8.932 1.00 0.43 H new ATOM 0 HA ASP A 114 11.649 -2.487 10.216 1.00 0.57 H new ATOM 0 HB2 ASP A 114 10.191 -3.459 11.991 1.00 0.60 H new ATOM 0 HB3 ASP A 114 9.994 -4.902 11.017 1.00 0.60 H new ATOM 1814 N TYR A 115 12.823 -4.348 8.922 1.00 0.84 N ATOM 1815 CA TYR A 115 13.552 -5.075 7.879 1.00 0.99 C ATOM 1816 C TYR A 115 13.306 -6.588 7.935 1.00 0.90 C ATOM 1817 O TYR A 115 13.591 -7.301 6.971 1.00 1.07 O ATOM 1818 CB TYR A 115 15.050 -4.777 7.996 1.00 1.25 C ATOM 1819 CG TYR A 115 15.500 -4.557 9.423 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.474 -5.596 10.343 1.00 1.67 C ATOM 1821 CD2 TYR A 115 15.968 -3.320 9.842 1.00 1.77 C ATOM 1822 CE1 TYR A 115 15.901 -5.406 11.642 1.00 2.05 C ATOM 1823 CE2 TYR A 115 16.401 -3.125 11.135 1.00 2.16 C ATOM 1824 CZ TYR A 115 16.291 -4.136 12.051 1.00 2.26 C ATOM 1825 OH TYR A 115 16.801 -3.979 13.325 1.00 2.75 O ATOM 0 H TYR A 115 13.413 -4.021 9.687 1.00 0.84 H new ATOM 0 HA TYR A 115 13.178 -4.729 6.915 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.614 -5.605 7.567 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.286 -3.891 7.406 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.114 -6.568 10.038 1.00 1.67 H new ATOM 0 HD2 TYR A 115 15.993 -2.497 9.143 1.00 1.77 H new ATOM 0 HE1 TYR A 115 15.932 -6.235 12.333 1.00 2.05 H new ATOM 0 HE2 TYR A 115 16.827 -2.176 11.426 1.00 2.16 H new ATOM 0 HH TYR A 115 17.032 -3.038 13.471 1.00 2.75 H new ATOM 1835 N ASP A 116 12.810 -7.068 9.067 1.00 0.77 N ATOM 1836 CA ASP A 116 12.525 -8.493 9.249 1.00 0.74 C ATOM 1837 C ASP A 116 11.087 -8.674 9.711 1.00 0.64 C ATOM 1838 O ASP A 116 10.388 -9.610 9.315 1.00 0.66 O ATOM 1839 CB ASP A 116 13.488 -9.097 10.272 1.00 0.82 C ATOM 1840 CG ASP A 116 13.234 -10.570 10.515 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.637 -11.393 9.668 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.663 -10.916 11.569 1.00 1.40 O ATOM 0 H ASP A 116 12.594 -6.491 9.880 1.00 0.77 H new ATOM 0 HA ASP A 116 12.661 -9.008 8.298 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.512 -8.962 9.925 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.397 -8.556 11.214 1.00 0.82 H new ATOM 1847 N GLN A 117 10.668 -7.759 10.563 1.00 0.59 N ATOM 1848 CA GLN A 117 9.285 -7.653 10.995 1.00 0.50 C ATOM 1849 C GLN A 117 8.412 -7.135 9.861 1.00 0.37 C ATOM 1850 O GLN A 117 8.892 -6.841 8.766 1.00 0.39 O ATOM 1851 CB GLN A 117 9.144 -6.756 12.229 1.00 0.56 C ATOM 1852 CG GLN A 117 9.194 -7.499 13.561 1.00 1.22 C ATOM 1853 CD GLN A 117 10.526 -8.172 13.852 1.00 1.68 C ATOM 1854 OE1 GLN A 117 11.614 -7.596 13.372 1.00 2.16 O flip ATOM 1855 NE2 GLN A 117 10.576 -9.204 14.523 1.00 2.51 N flip ATOM 0 H GLN A 117 11.283 -7.060 10.980 1.00 0.59 H new ATOM 0 HA GLN A 117 8.950 -8.652 11.273 1.00 0.50 H new ATOM 0 HB2 GLN A 117 9.939 -6.011 12.213 1.00 0.56 H new ATOM 0 HB3 GLN A 117 8.199 -6.216 12.164 1.00 0.56 H new ATOM 0 HG2 GLN A 117 8.972 -6.796 14.364 1.00 1.22 H new ATOM 0 HG3 GLN A 117 8.408 -8.254 13.572 1.00 1.22 H new ATOM 0 HE21 GLN A 117 9.717 -9.623 14.879 1.00 2.51 H new ATOM 0 HE22 GLN A 117 11.477 -9.639 14.723 1.00 2.51 H new ATOM 1864 N PHE A 118 7.130 -7.022 10.131 1.00 0.30 N ATOM 1865 CA PHE A 118 6.147 -6.737 9.107 1.00 0.25 C ATOM 1866 C PHE A 118 5.822 -5.243 9.142 1.00 0.26 C ATOM 1867 O PHE A 118 6.070 -4.580 10.149 1.00 0.40 O ATOM 1868 CB PHE A 118 4.889 -7.560 9.410 1.00 0.31 C ATOM 1869 CG PHE A 118 3.998 -6.930 10.446 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.416 -6.793 11.761 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.751 -6.455 10.093 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.603 -6.198 12.703 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.931 -5.854 11.032 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.358 -5.726 12.338 1.00 0.42 C ATOM 0 H PHE A 118 6.739 -7.125 11.067 1.00 0.30 H new ATOM 0 HA PHE A 118 6.524 -6.996 8.118 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.323 -7.696 8.489 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.186 -8.552 9.751 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.391 -7.157 12.051 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.411 -6.553 9.073 1.00 0.32 H new ATOM 0 HE1 PHE A 118 3.940 -6.101 13.725 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.958 -5.486 10.743 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.720 -5.258 13.073 1.00 0.42 H new ATOM 1884 N ALA A 119 5.307 -4.710 8.044 1.00 0.23 N ATOM 1885 CA ALA A 119 5.063 -3.279 7.953 1.00 0.23 C ATOM 1886 C ALA A 119 3.605 -2.975 7.636 1.00 0.21 C ATOM 1887 O ALA A 119 2.994 -3.603 6.770 1.00 0.28 O ATOM 1888 CB ALA A 119 5.977 -2.638 6.917 1.00 0.25 C ATOM 0 H ALA A 119 5.052 -5.241 7.211 1.00 0.23 H new ATOM 0 HA ALA A 119 5.287 -2.849 8.929 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.776 -1.568 6.867 1.00 0.25 H new ATOM 0 HB2 ALA A 119 7.017 -2.799 7.200 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.793 -3.088 5.941 1.00 0.25 H new ATOM 1894 N MET A 120 3.065 -1.998 8.341 1.00 0.19 N ATOM 1895 CA MET A 120 1.688 -1.565 8.148 1.00 0.21 C ATOM 1896 C MET A 120 1.664 -0.168 7.550 1.00 0.22 C ATOM 1897 O MET A 120 2.179 0.766 8.152 1.00 0.25 O ATOM 1898 CB MET A 120 0.941 -1.567 9.480 1.00 0.27 C ATOM 1899 CG MET A 120 0.452 -2.944 9.913 1.00 0.48 C ATOM 1900 SD MET A 120 -0.724 -2.868 11.281 1.00 0.63 S ATOM 1901 CE MET A 120 0.265 -2.073 12.545 1.00 1.47 C ATOM 0 H MET A 120 3.566 -1.481 9.064 1.00 0.19 H new ATOM 0 HA MET A 120 1.196 -2.258 7.465 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.596 -1.165 10.253 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.086 -0.895 9.406 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.016 -3.442 9.064 1.00 0.48 H new ATOM 0 HG3 MET A 120 1.307 -3.552 10.208 1.00 0.48 H new ATOM 0 HE1 MET A 120 -0.276 -2.085 13.491 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.208 -2.608 12.659 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.466 -1.042 12.255 1.00 1.47 H new ATOM 1911 N VAL A 121 1.082 -0.015 6.367 1.00 0.25 N ATOM 1912 CA VAL A 121 1.131 1.272 5.684 1.00 0.26 C ATOM 1913 C VAL A 121 -0.255 1.791 5.309 1.00 0.29 C ATOM 1914 O VAL A 121 -1.046 1.087 4.677 1.00 0.39 O ATOM 1915 CB VAL A 121 1.962 1.215 4.389 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.616 2.559 4.132 1.00 0.34 C ATOM 1917 CG2 VAL A 121 3.006 0.113 4.424 1.00 0.28 C ATOM 0 H VAL A 121 0.580 -0.750 5.868 1.00 0.25 H new ATOM 0 HA VAL A 121 1.598 1.946 6.402 1.00 0.26 H new ATOM 0 HB VAL A 121 1.280 0.982 3.571 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.202 2.509 3.214 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.847 3.324 4.030 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.270 2.811 4.967 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.566 0.113 3.489 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.689 0.285 5.256 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.513 -0.851 4.552 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.518 3.038 5.661 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.731 3.729 5.250 1.00 0.27 C ATOM 1929 C PHE A 122 -1.414 4.540 3.995 1.00 0.27 C ATOM 1930 O PHE A 122 -0.453 5.304 3.972 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.236 4.620 6.415 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.206 5.738 6.058 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.812 6.784 5.232 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.503 5.758 6.565 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.678 7.809 4.917 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.370 6.787 6.250 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.957 7.812 5.426 1.00 0.63 C ATOM 0 H PHE A 122 0.104 3.602 6.241 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.529 3.026 5.014 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.717 3.976 7.151 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.368 5.066 6.901 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.810 6.794 4.830 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.835 4.960 7.212 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.353 8.610 4.270 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.373 6.788 6.650 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.635 8.616 5.180 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.197 4.342 2.948 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.011 5.075 1.700 1.00 0.34 C ATOM 1949 C PHE A 123 -3.244 5.917 1.412 1.00 0.35 C ATOM 1950 O PHE A 123 -4.350 5.383 1.300 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.767 4.127 0.515 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.395 3.498 0.446 1.00 0.37 C ATOM 1953 CD1 PHE A 123 0.035 2.599 1.408 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.447 3.776 -0.618 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.274 1.995 1.310 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.691 3.182 -0.717 1.00 0.47 C ATOM 1957 CZ PHE A 123 2.104 2.289 0.248 1.00 0.41 C ATOM 0 H PHE A 123 -2.971 3.678 2.934 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.134 5.711 1.818 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.510 3.330 0.553 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -1.939 4.679 -0.409 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.606 2.367 2.245 1.00 0.32 H new ATOM 0 HD2 PHE A 123 0.126 4.468 -1.383 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.593 1.292 2.065 1.00 0.33 H new ATOM 0 HE2 PHE A 123 2.338 3.417 -1.549 1.00 0.47 H new ATOM 0 HZ PHE A 123 3.074 1.821 0.173 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.054 7.218 1.305 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.149 8.123 0.983 1.00 0.39 C ATOM 1969 C GLN A 124 -4.008 8.655 -0.434 1.00 0.34 C ATOM 1970 O GLN A 124 -2.943 9.132 -0.829 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.204 9.296 1.965 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.207 10.372 1.567 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.227 11.543 2.525 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -5.005 11.389 3.720 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -5.491 12.733 2.000 1.00 1.57 N ATOM 0 H GLN A 124 -2.152 7.676 1.436 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.076 7.555 1.063 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.460 8.919 2.955 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.213 9.744 2.041 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -4.968 10.732 0.566 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.203 9.932 1.518 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -5.671 12.821 1.000 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -5.514 13.560 2.597 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.083 8.558 -1.197 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.137 9.175 -2.505 1.00 0.38 C ATOM 1986 C LYS A 125 -6.395 10.019 -2.621 1.00 0.35 C ATOM 1987 O LYS A 125 -7.499 9.552 -2.351 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.089 8.129 -3.631 1.00 0.53 C ATOM 1989 CG LYS A 125 -6.306 7.221 -3.710 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.292 6.398 -4.986 1.00 1.06 C ATOM 1991 CE LYS A 125 -7.603 5.658 -5.189 1.00 1.36 C ATOM 1992 NZ LYS A 125 -7.634 4.937 -6.488 1.00 1.55 N ATOM 0 H LYS A 125 -5.930 8.056 -0.930 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.259 9.812 -2.615 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.977 8.646 -4.584 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -4.201 7.512 -3.497 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.325 6.557 -2.846 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -7.215 7.822 -3.671 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -6.106 7.051 -5.839 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -5.471 5.682 -4.949 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -7.749 4.948 -4.375 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -8.431 6.366 -5.146 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -8.544 4.444 -6.590 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.520 5.618 -7.266 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.860 4.243 -6.519 1.00 1.55 H new ATOM 2006 N THR A 126 -6.230 11.267 -2.982 1.00 0.31 N ATOM 2007 CA THR A 126 -7.367 12.124 -3.227 1.00 0.31 C ATOM 2008 C THR A 126 -7.581 12.220 -4.724 1.00 0.34 C ATOM 2009 O THR A 126 -6.621 12.392 -5.470 1.00 0.39 O ATOM 2010 CB THR A 126 -7.131 13.533 -2.664 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.222 13.471 -1.552 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.433 14.162 -2.203 1.00 0.47 C ATOM 0 H THR A 126 -5.322 11.713 -3.113 1.00 0.31 H new ATOM 0 HA THR A 126 -8.241 11.700 -2.733 1.00 0.31 H new ATOM 0 HB THR A 126 -6.706 14.145 -3.460 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.544 14.173 -1.644 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.236 15.159 -1.809 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.121 14.234 -3.046 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.879 13.545 -1.423 1.00 0.47 H new ATOM 2020 N SER A 127 -8.814 12.093 -5.173 1.00 0.37 N ATOM 2021 CA SER A 127 -9.099 12.149 -6.591 1.00 0.45 C ATOM 2022 C SER A 127 -10.521 12.643 -6.828 1.00 0.51 C ATOM 2023 O SER A 127 -11.468 12.106 -6.258 1.00 0.52 O ATOM 2024 CB SER A 127 -8.907 10.762 -7.217 1.00 0.54 C ATOM 2025 OG SER A 127 -7.581 10.293 -7.030 1.00 0.87 O ATOM 0 H SER A 127 -9.631 11.951 -4.579 1.00 0.37 H new ATOM 0 HA SER A 127 -8.408 12.849 -7.061 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.610 10.059 -6.771 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.133 10.807 -8.282 1.00 0.54 H new ATOM 0 HG SER A 127 -7.487 9.407 -7.437 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.659 13.680 -7.651 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.966 14.263 -7.960 1.00 0.74 C ATOM 2033 C GLU A 128 -12.616 14.797 -6.679 1.00 0.66 C ATOM 2034 O GLU A 128 -13.822 14.666 -6.465 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.862 13.221 -8.643 1.00 0.89 C ATOM 2036 CG GLU A 128 -14.189 13.772 -9.134 1.00 1.26 C ATOM 2037 CD GLU A 128 -14.017 14.921 -10.099 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.816 14.662 -11.305 1.00 2.13 O ATOM 2039 OE2 GLU A 128 -14.089 16.088 -9.659 1.00 1.98 O ATOM 0 H GLU A 128 -9.877 14.138 -8.120 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.834 15.097 -8.649 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -12.324 12.792 -9.488 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -13.055 12.408 -7.943 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.752 12.975 -9.620 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -14.779 14.104 -8.280 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.781 15.374 -5.816 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.210 15.913 -4.518 1.00 0.70 C ATOM 2048 C ASN A 129 -12.605 14.777 -3.569 1.00 0.59 C ATOM 2049 O ASN A 129 -12.791 14.978 -2.371 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.377 16.898 -4.703 1.00 0.91 C ATOM 2051 CG ASN A 129 -13.570 17.858 -3.536 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -14.087 19.033 -3.838 1.00 1.64 O flip ATOM 2053 ND2 ASN A 129 -13.261 17.555 -2.384 1.00 2.21 N flip ATOM 0 H ASN A 129 -10.783 15.483 -5.995 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.374 16.453 -4.075 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -13.210 17.476 -5.612 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.297 16.332 -4.850 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -12.863 16.636 -2.187 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -13.403 18.222 -1.626 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.718 13.573 -4.105 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.076 12.418 -3.308 1.00 0.49 C ATOM 2062 C LYS A 130 -11.803 11.790 -2.774 1.00 0.42 C ATOM 2063 O LYS A 130 -10.856 11.570 -3.523 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.844 11.385 -4.145 1.00 0.64 C ATOM 2065 CG LYS A 130 -14.899 11.960 -5.092 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.143 12.478 -4.373 1.00 1.36 C ATOM 2067 CE LYS A 130 -15.931 13.856 -3.769 1.00 2.08 C ATOM 2068 NZ LYS A 130 -17.215 14.482 -3.361 1.00 2.80 N ATOM 0 H LYS A 130 -12.566 13.373 -5.093 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.722 12.737 -2.490 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.126 10.813 -4.733 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.332 10.684 -3.468 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -14.456 12.773 -5.667 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.195 11.190 -5.805 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -16.976 12.516 -5.075 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.422 11.778 -3.585 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -15.274 13.776 -2.903 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -15.428 14.497 -4.493 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -17.030 15.421 -2.954 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -17.832 14.581 -4.192 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -17.683 13.883 -2.651 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.756 11.528 -1.489 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.584 10.906 -0.916 1.00 0.44 C ATOM 2084 C GLN A 131 -10.781 9.405 -0.822 1.00 0.48 C ATOM 2085 O GLN A 131 -11.841 8.930 -0.424 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.281 11.471 0.462 1.00 0.55 C ATOM 2087 CG GLN A 131 -9.785 12.903 0.426 1.00 0.56 C ATOM 2088 CD GLN A 131 -9.667 13.517 1.807 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -8.524 13.331 2.445 1.00 1.11 O flip ATOM 2090 NE2 GLN A 131 -10.600 14.145 2.303 1.00 1.57 N flip ATOM 0 H GLN A 131 -12.505 11.732 -0.827 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.738 11.120 -1.569 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.182 11.421 1.074 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.531 10.846 0.947 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -8.812 12.934 -0.065 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -10.466 13.504 -0.177 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -11.467 14.268 1.780 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.507 14.543 3.237 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.763 8.671 -1.199 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.773 7.225 -1.087 1.00 0.50 C ATOM 2101 C TYR A 132 -8.563 6.792 -0.291 1.00 0.44 C ATOM 2102 O TYR A 132 -7.444 7.226 -0.558 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.739 6.552 -2.457 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.760 7.082 -3.444 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -12.028 6.520 -3.531 1.00 0.87 C ATOM 2106 CD2 TYR A 132 -10.450 8.139 -4.294 1.00 0.68 C ATOM 2107 CE1 TYR A 132 -12.958 6.996 -4.436 1.00 1.01 C ATOM 2108 CE2 TYR A 132 -11.375 8.618 -5.201 1.00 0.81 C ATOM 2109 CZ TYR A 132 -12.625 8.043 -5.269 1.00 0.96 C ATOM 2110 OH TYR A 132 -13.547 8.516 -6.177 1.00 1.12 O ATOM 0 H TYR A 132 -8.903 9.054 -1.592 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.695 6.925 -0.589 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.743 6.674 -2.883 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.900 5.482 -2.326 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -12.291 5.698 -2.881 1.00 0.87 H new ATOM 0 HD2 TYR A 132 -9.471 8.592 -4.244 1.00 0.68 H new ATOM 0 HE1 TYR A 132 -13.940 6.550 -4.490 1.00 1.01 H new ATOM 0 HE2 TYR A 132 -11.119 9.440 -5.854 1.00 0.81 H new ATOM 0 HH TYR A 132 -13.155 9.256 -6.686 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.782 5.944 0.679 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.705 5.504 1.540 1.00 0.30 C ATOM 2122 C PHE A 133 -7.779 4.010 1.751 1.00 0.25 C ATOM 2123 O PHE A 133 -8.849 3.398 1.658 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.750 6.221 2.893 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.877 5.774 3.776 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.196 5.969 3.398 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -8.616 5.153 4.980 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -11.229 5.549 4.211 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -9.644 4.731 5.797 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.972 4.966 5.408 1.00 1.95 C ATOM 0 H PHE A 133 -9.694 5.542 0.896 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.764 5.752 1.050 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.806 6.057 3.413 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.837 7.294 2.723 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.417 6.454 2.459 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -7.593 4.995 5.287 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -12.251 5.686 3.891 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -9.429 4.225 6.727 1.00 1.82 H new ATOM 0 HZ PHE A 133 -11.786 4.684 6.059 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.629 3.429 1.991 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.533 2.020 2.302 1.00 0.24 C ATOM 2142 C LYS A 134 -5.267 1.761 3.119 1.00 0.17 C ATOM 2143 O LYS A 134 -4.296 2.519 3.033 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.527 1.195 1.004 1.00 0.38 C ATOM 2145 CG LYS A 134 -5.187 1.189 0.300 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.446 -0.110 0.546 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.945 0.094 0.450 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.483 1.118 1.415 1.00 1.30 N ATOM 0 H LYS A 134 -5.733 3.917 1.977 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.397 1.717 2.894 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.813 0.168 1.234 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -7.283 1.592 0.327 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -5.335 1.330 -0.771 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -4.585 2.027 0.651 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.702 -0.498 1.532 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -4.762 -0.857 -0.182 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.434 -0.849 0.643 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.680 0.398 -0.563 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.607 1.556 1.064 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.216 1.848 1.524 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.301 0.670 2.336 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.268 0.686 3.876 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.094 0.263 4.610 1.00 0.17 C ATOM 2164 C VAL A 135 -3.577 -1.035 3.986 1.00 0.20 C ATOM 2165 O VAL A 135 -4.362 -1.852 3.509 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.390 0.073 6.122 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.100 -1.244 6.417 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.115 0.200 6.940 1.00 0.78 C ATOM 0 H VAL A 135 -6.080 0.081 4.001 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.333 1.041 4.542 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.073 0.870 6.416 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.283 -1.327 7.488 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.050 -1.273 5.883 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.475 -2.075 6.091 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.345 0.063 7.997 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.402 -0.561 6.623 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.682 1.189 6.788 1.00 0.78 H new ATOM 2178 N THR A 136 -2.271 -1.198 3.923 1.00 0.20 N ATOM 2179 CA THR A 136 -1.699 -2.385 3.311 1.00 0.22 C ATOM 2180 C THR A 136 -0.729 -3.066 4.264 1.00 0.24 C ATOM 2181 O THR A 136 -0.091 -2.413 5.095 1.00 0.47 O ATOM 2182 CB THR A 136 -0.987 -2.062 1.977 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.380 -3.235 1.428 1.00 1.41 O ATOM 2184 CG2 THR A 136 0.062 -0.977 2.154 1.00 0.65 C ATOM 0 H THR A 136 -1.589 -0.531 4.284 1.00 0.20 H new ATOM 0 HA THR A 136 -2.525 -3.063 3.094 1.00 0.22 H new ATOM 0 HB THR A 136 -1.746 -1.696 1.286 1.00 0.43 H new ATOM 0 HG1 THR A 136 0.063 -3.009 0.584 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.542 -0.776 1.196 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.414 -0.067 2.520 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.811 -1.309 2.873 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.650 -4.378 4.144 1.00 0.18 N ATOM 2193 CA LEU A 137 0.206 -5.186 4.988 1.00 0.21 C ATOM 2194 C LEU A 137 1.394 -5.686 4.172 1.00 0.17 C ATOM 2195 O LEU A 137 1.234 -6.527 3.283 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.618 -6.360 5.551 1.00 0.33 C ATOM 2197 CG LEU A 137 0.020 -7.189 6.674 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.148 -8.061 6.154 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.513 -6.287 7.790 1.00 0.68 C ATOM 0 H LEU A 137 -1.180 -4.914 3.456 1.00 0.18 H new ATOM 0 HA LEU A 137 0.590 -4.597 5.821 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.564 -5.963 5.920 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.854 -7.033 4.727 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.750 -7.850 7.074 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.575 -8.633 6.978 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.760 -8.746 5.399 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.920 -7.432 5.711 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.962 -6.894 8.577 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.257 -5.595 7.396 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.325 -5.724 8.200 1.00 0.68 H new ATOM 2211 N TYR A 138 2.573 -5.154 4.468 1.00 0.18 N ATOM 2212 CA TYR A 138 3.795 -5.576 3.796 1.00 0.26 C ATOM 2213 C TYR A 138 4.628 -6.461 4.709 1.00 0.20 C ATOM 2214 O TYR A 138 4.580 -6.332 5.933 1.00 0.25 O ATOM 2215 CB TYR A 138 4.639 -4.374 3.361 1.00 0.44 C ATOM 2216 CG TYR A 138 4.117 -3.648 2.144 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.950 -4.308 0.932 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.805 -2.300 2.202 1.00 0.54 C ATOM 2219 CE1 TYR A 138 3.484 -3.640 -0.185 1.00 2.04 C ATOM 2220 CE2 TYR A 138 3.343 -1.624 1.092 1.00 1.18 C ATOM 2221 CZ TYR A 138 3.183 -2.297 -0.101 1.00 1.94 C ATOM 2222 OH TYR A 138 2.728 -1.624 -1.213 1.00 2.64 O ATOM 0 H TYR A 138 2.709 -4.428 5.171 1.00 0.18 H new ATOM 0 HA TYR A 138 3.498 -6.137 2.910 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.699 -3.669 4.190 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.654 -4.714 3.158 1.00 0.44 H new ATOM 0 HD1 TYR A 138 4.188 -5.359 0.862 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.926 -1.768 3.134 1.00 0.54 H new ATOM 0 HE1 TYR A 138 3.356 -4.167 -1.119 1.00 2.04 H new ATOM 0 HE2 TYR A 138 3.108 -0.572 1.157 1.00 1.18 H new ATOM 0 HH TYR A 138 2.562 -0.686 -0.983 1.00 2.64 H new ATOM 2232 N GLY A 139 5.388 -7.357 4.109 1.00 0.28 N ATOM 2233 CA GLY A 139 6.265 -8.215 4.869 1.00 0.29 C ATOM 2234 C GLY A 139 7.575 -8.450 4.155 1.00 0.33 C ATOM 2235 O GLY A 139 7.702 -8.134 2.969 1.00 0.45 O ATOM 0 H GLY A 139 5.413 -7.507 3.100 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.457 -7.767 5.844 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.772 -9.171 5.049 1.00 0.29 H new ATOM 2239 N ARG A 140 8.546 -9.007 4.873 1.00 0.37 N ATOM 2240 CA ARG A 140 9.864 -9.286 4.310 1.00 0.49 C ATOM 2241 C ARG A 140 9.782 -10.311 3.171 1.00 0.38 C ATOM 2242 O ARG A 140 10.629 -10.329 2.277 1.00 0.51 O ATOM 2243 CB ARG A 140 10.808 -9.791 5.409 1.00 0.78 C ATOM 2244 CG ARG A 140 12.236 -10.009 4.940 1.00 1.61 C ATOM 2245 CD ARG A 140 13.130 -10.507 6.065 1.00 1.91 C ATOM 2246 NE ARG A 140 14.489 -10.784 5.592 1.00 2.46 N ATOM 2247 CZ ARG A 140 15.394 -11.484 6.279 1.00 3.13 C ATOM 2248 NH1 ARG A 140 15.126 -11.913 7.505 1.00 3.38 N ATOM 2249 NH2 ARG A 140 16.583 -11.733 5.745 1.00 3.99 N ATOM 0 H ARG A 140 8.444 -9.276 5.852 1.00 0.37 H new ATOM 0 HA ARG A 140 10.257 -8.357 3.896 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.811 -9.074 6.230 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.419 -10.729 5.806 1.00 0.78 H new ATOM 0 HG2 ARG A 140 12.244 -10.730 4.123 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.635 -9.075 4.545 1.00 1.61 H new ATOM 0 HD2 ARG A 140 13.166 -9.761 6.859 1.00 1.91 H new ATOM 0 HD3 ARG A 140 12.703 -11.412 6.496 1.00 1.91 H new ATOM 0 HE ARG A 140 14.761 -10.418 4.679 1.00 2.46 H new ATOM 0 HH11 ARG A 140 14.222 -11.709 7.931 1.00 3.38 H new ATOM 0 HH12 ARG A 140 15.824 -12.447 8.022 1.00 3.38 H new ATOM 0 HH21 ARG A 140 16.804 -11.389 4.810 1.00 3.99 H new ATOM 0 HH22 ARG A 140 17.276 -12.268 6.269 1.00 3.99 H new ATOM 2263 N THR A 141 8.752 -11.150 3.199 1.00 0.40 N ATOM 2264 CA THR A 141 8.592 -12.205 2.207 1.00 0.58 C ATOM 2265 C THR A 141 7.191 -12.812 2.309 1.00 0.64 C ATOM 2266 O THR A 141 6.343 -12.290 3.035 1.00 1.14 O ATOM 2267 CB THR A 141 9.660 -13.309 2.407 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.659 -14.216 1.295 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.416 -14.080 3.701 1.00 0.94 C ATOM 0 H THR A 141 8.013 -11.119 3.901 1.00 0.40 H new ATOM 0 HA THR A 141 8.723 -11.770 1.216 1.00 0.58 H new ATOM 0 HB THR A 141 10.633 -12.823 2.471 1.00 0.85 H new ATOM 0 HG1 THR A 141 10.340 -14.906 1.435 1.00 1.13 H new ATOM 0 HG21 THR A 141 10.180 -14.849 3.816 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.461 -13.394 4.547 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.433 -14.549 3.665 1.00 0.94 H new ATOM 2277 N LYS A 142 6.953 -13.909 1.587 1.00 0.79 N ATOM 2278 CA LYS A 142 5.693 -14.647 1.689 1.00 0.87 C ATOM 2279 C LYS A 142 5.651 -15.443 2.998 1.00 0.84 C ATOM 2280 O LYS A 142 5.478 -16.661 2.985 1.00 1.09 O ATOM 2281 CB LYS A 142 5.512 -15.621 0.509 1.00 1.02 C ATOM 2282 CG LYS A 142 5.028 -14.996 -0.797 1.00 1.17 C ATOM 2283 CD LYS A 142 6.158 -14.370 -1.598 1.00 0.84 C ATOM 2284 CE LYS A 142 5.733 -14.082 -3.039 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.404 -15.328 -3.786 1.00 1.57 N ATOM 0 H LYS A 142 7.618 -14.306 0.924 1.00 0.79 H new ATOM 0 HA LYS A 142 4.885 -13.916 1.668 1.00 0.87 H new ATOM 0 HB2 LYS A 142 6.464 -16.117 0.322 1.00 1.02 H new ATOM 0 HB3 LYS A 142 4.803 -16.394 0.805 1.00 1.02 H new ATOM 0 HG2 LYS A 142 4.538 -15.759 -1.402 1.00 1.17 H new ATOM 0 HG3 LYS A 142 4.279 -14.235 -0.576 1.00 1.17 H new ATOM 0 HD2 LYS A 142 6.475 -13.443 -1.119 1.00 0.84 H new ATOM 0 HD3 LYS A 142 7.019 -15.039 -1.598 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.865 -13.422 -3.036 1.00 0.85 H new ATOM 0 HE3 LYS A 142 6.534 -13.552 -3.554 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 5.949 -15.356 -4.671 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 5.645 -16.156 -3.204 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 4.387 -15.343 -4.005 1.00 1.57 H new ATOM 2299 N GLY A 143 5.840 -14.763 4.120 1.00 0.67 N ATOM 2300 CA GLY A 143 5.832 -15.437 5.404 1.00 0.70 C ATOM 2301 C GLY A 143 5.639 -14.481 6.563 1.00 0.62 C ATOM 2302 O GLY A 143 6.607 -14.046 7.183 1.00 0.74 O ATOM 0 H GLY A 143 5.999 -13.756 4.165 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.035 -16.181 5.415 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.771 -15.974 5.534 1.00 0.70 H new ATOM 2306 N LEU A 144 4.389 -14.148 6.844 1.00 0.52 N ATOM 2307 CA LEU A 144 4.048 -13.275 7.960 1.00 0.46 C ATOM 2308 C LEU A 144 2.975 -13.930 8.821 1.00 0.48 C ATOM 2309 O LEU A 144 2.068 -14.586 8.303 1.00 0.53 O ATOM 2310 CB LEU A 144 3.561 -11.916 7.455 1.00 0.43 C ATOM 2311 CG LEU A 144 4.633 -11.016 6.830 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.084 -9.616 6.626 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.882 -10.967 7.699 1.00 0.56 C ATOM 0 H LEU A 144 3.584 -14.473 6.308 1.00 0.52 H new ATOM 0 HA LEU A 144 4.943 -13.116 8.562 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.777 -12.083 6.716 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.105 -11.382 8.288 1.00 0.43 H new ATOM 0 HG LEU A 144 4.909 -11.437 5.863 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.853 -8.985 6.182 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.220 -9.657 5.962 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.783 -9.199 7.587 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.625 -10.321 7.231 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.626 -10.572 8.682 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.290 -11.972 7.806 1.00 0.56 H new ATOM 2325 N SER A 145 3.093 -13.751 10.132 1.00 0.51 N ATOM 2326 CA SER A 145 2.175 -14.348 11.090 1.00 0.56 C ATOM 2327 C SER A 145 0.756 -13.832 10.881 1.00 0.50 C ATOM 2328 O SER A 145 0.548 -12.698 10.452 1.00 0.49 O ATOM 2329 CB SER A 145 2.642 -14.009 12.504 1.00 0.65 C ATOM 2330 OG SER A 145 4.044 -14.185 12.624 1.00 1.43 O ATOM 0 H SER A 145 3.828 -13.188 10.559 1.00 0.51 H new ATOM 0 HA SER A 145 2.169 -15.428 10.945 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.378 -12.979 12.742 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.128 -14.645 13.225 1.00 0.65 H new ATOM 0 HG SER A 145 4.325 -13.961 13.536 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.217 -14.668 11.210 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.623 -14.310 11.065 1.00 0.51 C ATOM 2338 C ASP A 146 -1.968 -13.169 12.011 1.00 0.48 C ATOM 2339 O ASP A 146 -2.880 -12.382 11.755 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.510 -15.524 11.352 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.975 -15.254 11.073 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -4.408 -15.406 9.913 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -4.702 -14.883 12.018 1.00 2.08 O ATOM 0 H ASP A 146 -0.059 -15.605 11.581 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.801 -13.984 10.040 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.177 -16.365 10.743 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -2.391 -15.818 12.395 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.199 -13.074 13.086 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.408 -12.053 14.099 1.00 0.53 C ATOM 2350 C GLU A 147 -1.119 -10.665 13.537 1.00 0.45 C ATOM 2351 O GLU A 147 -1.853 -9.713 13.801 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.515 -12.324 15.313 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.747 -11.364 16.467 1.00 0.72 C ATOM 2354 CD GLU A 147 0.108 -11.685 17.674 1.00 1.25 C ATOM 2355 OE1 GLU A 147 -0.246 -12.610 18.436 1.00 1.48 O ATOM 2356 OE2 GLU A 147 1.141 -11.017 17.865 1.00 1.99 O ATOM 0 H GLU A 147 -0.417 -13.700 13.279 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.452 -12.088 14.410 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.687 -13.343 15.659 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.529 -12.264 15.006 1.00 0.62 H new ATOM 0 HG2 GLU A 147 -0.535 -10.347 16.137 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.798 -11.394 16.753 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.063 -10.555 12.736 1.00 0.41 N ATOM 2364 CA LEU A 148 0.325 -9.267 12.186 1.00 0.37 C ATOM 2365 C LEU A 148 -0.655 -8.828 11.101 1.00 0.31 C ATOM 2366 O LEU A 148 -0.879 -7.635 10.904 1.00 0.29 O ATOM 2367 CB LEU A 148 1.785 -9.285 11.681 1.00 0.37 C ATOM 2368 CG LEU A 148 2.142 -10.282 10.569 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.637 -9.809 9.216 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.649 -10.487 10.508 1.00 0.38 C ATOM 0 H LEU A 148 0.532 -11.335 12.457 1.00 0.41 H new ATOM 0 HA LEU A 148 0.281 -8.527 12.985 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.030 -8.284 11.326 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.433 -9.487 12.534 1.00 0.37 H new ATOM 0 HG LEU A 148 1.655 -11.228 10.805 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.907 -10.538 8.452 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.553 -9.703 9.249 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.089 -8.847 8.975 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.888 -11.196 9.715 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.138 -9.535 10.302 1.00 0.38 H new ATOM 0 HD23 LEU A 148 4.002 -10.877 11.463 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.254 -9.792 10.410 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.255 -9.475 9.401 1.00 0.29 C ATOM 2384 C LYS A 149 -3.513 -8.979 10.091 1.00 0.29 C ATOM 2385 O LYS A 149 -4.087 -7.962 9.720 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.601 -10.699 8.550 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.398 -11.451 8.011 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.826 -12.627 7.144 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.886 -13.479 7.834 1.00 0.83 C ATOM 2390 NZ LYS A 149 -3.254 -14.675 7.033 1.00 1.22 N ATOM 0 H LYS A 149 -1.066 -10.788 10.529 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.847 -8.707 8.744 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.203 -11.383 9.148 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.220 -10.380 7.711 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -0.774 -10.774 7.427 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.789 -11.810 8.841 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.217 -12.257 6.196 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -0.958 -13.244 6.912 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -2.516 -13.797 8.809 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.776 -12.875 8.012 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -3.773 -15.348 7.632 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -3.856 -14.387 6.235 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -2.391 -15.128 6.670 1.00 1.22 H new ATOM 2404 N GLU A 150 -3.932 -9.701 11.116 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.071 -9.288 11.919 1.00 0.35 C ATOM 2406 C GLU A 150 -4.825 -7.893 12.494 1.00 0.34 C ATOM 2407 O GLU A 150 -5.745 -7.087 12.638 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.309 -10.293 13.046 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.503 -9.963 13.923 1.00 1.02 C ATOM 2410 CD GLU A 150 -6.616 -10.893 15.105 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -7.189 -11.993 14.951 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -6.135 -10.530 16.198 1.00 2.00 O ATOM 0 H GLU A 150 -3.501 -10.577 11.412 1.00 0.33 H new ATOM 0 HA GLU A 150 -5.959 -9.255 11.288 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.452 -11.283 12.613 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.416 -10.343 13.669 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.418 -8.936 14.278 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.415 -10.021 13.329 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.571 -7.618 12.819 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.180 -6.312 13.321 1.00 0.35 C ATOM 2421 C ARG A 151 -3.436 -5.234 12.263 1.00 0.30 C ATOM 2422 O ARG A 151 -3.846 -4.119 12.596 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.707 -6.341 13.744 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.249 -5.117 14.520 1.00 1.21 C ATOM 2425 CD ARG A 151 0.014 -5.420 15.315 1.00 1.20 C ATOM 2426 NE ARG A 151 -0.215 -6.486 16.295 1.00 1.71 N ATOM 2427 CZ ARG A 151 0.697 -7.389 16.665 1.00 1.97 C ATOM 2428 NH1 ARG A 151 1.948 -7.309 16.236 1.00 1.74 N ATOM 2429 NH2 ARG A 151 0.353 -8.354 17.504 1.00 2.88 N ATOM 0 H ARG A 151 -2.804 -8.286 12.743 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.783 -6.066 14.195 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.535 -7.228 14.354 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.088 -6.443 12.852 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.061 -4.294 13.831 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.040 -4.793 15.196 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.813 -5.715 14.634 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.349 -4.518 15.827 1.00 1.20 H new ATOM 0 HE ARG A 151 -1.138 -6.542 16.726 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.226 -6.550 15.614 1.00 1.74 H new ATOM 0 HH12 ARG A 151 2.633 -8.006 16.528 1.00 1.74 H new ATOM 0 HH21 ARG A 151 -0.601 -8.403 17.862 1.00 2.88 H new ATOM 0 HH22 ARG A 151 1.042 -9.048 17.793 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.233 -5.574 10.985 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.496 -4.624 9.905 1.00 0.27 C ATOM 2445 C PHE A 152 -5.002 -4.464 9.689 1.00 0.23 C ATOM 2446 O PHE A 152 -5.481 -3.347 9.509 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.771 -5.013 8.585 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.635 -5.659 7.518 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.606 -4.928 6.848 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.478 -6.996 7.195 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.402 -5.517 5.892 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.271 -7.591 6.234 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.235 -6.851 5.584 1.00 0.21 C ATOM 0 H PHE A 152 -2.893 -6.486 10.679 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.086 -3.661 10.209 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.319 -4.115 8.164 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -1.957 -5.696 8.828 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.739 -3.882 7.080 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.725 -7.582 7.702 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.157 -4.935 5.384 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.136 -8.635 5.992 1.00 0.26 H new ATOM 0 HZ PHE A 152 -5.859 -7.315 4.834 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.755 -5.570 9.705 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.203 -5.492 9.497 1.00 0.22 C ATOM 2465 C VAL A 153 -7.826 -4.654 10.616 1.00 0.25 C ATOM 2466 O VAL A 153 -8.758 -3.894 10.386 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.890 -6.894 9.420 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.097 -7.856 8.546 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.116 -7.503 10.793 1.00 0.28 C ATOM 0 H VAL A 153 -5.394 -6.512 9.857 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.370 -5.019 8.529 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.866 -6.731 8.964 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.603 -8.821 8.515 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.022 -7.453 7.536 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.097 -7.984 8.961 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.596 -8.476 10.685 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.158 -7.625 11.299 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.757 -6.846 11.381 1.00 0.28 H new ATOM 2479 N SER A 154 -7.277 -4.769 11.821 1.00 0.28 N ATOM 2480 CA SER A 154 -7.732 -3.967 12.949 1.00 0.33 C ATOM 2481 C SER A 154 -7.389 -2.498 12.720 1.00 0.32 C ATOM 2482 O SER A 154 -8.173 -1.604 13.046 1.00 0.35 O ATOM 2483 CB SER A 154 -7.094 -4.472 14.244 1.00 0.38 C ATOM 2484 OG SER A 154 -7.356 -5.854 14.427 1.00 1.05 O ATOM 0 H SER A 154 -6.515 -5.411 12.041 1.00 0.28 H new ATOM 0 HA SER A 154 -8.814 -4.060 13.037 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.018 -4.302 14.215 1.00 0.38 H new ATOM 0 HB3 SER A 154 -7.484 -3.908 15.091 1.00 0.38 H new ATOM 0 HG SER A 154 -6.698 -6.381 13.926 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.223 -2.258 12.130 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.795 -0.910 11.797 1.00 0.29 C ATOM 2492 C PHE A 155 -6.685 -0.348 10.690 1.00 0.28 C ATOM 2493 O PHE A 155 -6.963 0.849 10.651 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.323 -0.913 11.367 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.714 0.456 11.256 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.263 1.123 12.384 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.590 1.075 10.025 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.700 2.380 12.282 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.029 2.330 9.917 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.582 2.984 11.046 1.00 0.39 C ATOM 0 H PHE A 155 -5.556 -2.986 11.873 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.889 -0.273 12.677 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.747 -1.498 12.084 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.238 -1.416 10.404 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.353 0.655 13.353 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.937 0.568 9.137 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.352 2.890 13.168 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.940 2.801 8.949 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.141 3.966 10.963 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.147 -1.230 9.803 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.103 -0.857 8.765 1.00 0.25 C ATOM 2512 C ALA A 156 -9.352 -0.236 9.395 1.00 0.28 C ATOM 2513 O ALA A 156 -9.864 0.782 8.924 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.500 -2.070 7.922 1.00 0.25 C ATOM 0 H ALA A 156 -6.872 -2.212 9.785 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.624 -0.125 8.114 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.213 -1.764 7.157 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.613 -2.488 7.446 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -8.957 -2.824 8.562 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.829 -0.856 10.471 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.011 -0.373 11.188 1.00 0.39 C ATOM 2522 C LYS A 157 -10.692 0.896 11.958 1.00 0.41 C ATOM 2523 O LYS A 157 -11.557 1.739 12.171 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.535 -1.443 12.155 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.338 -2.538 11.479 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.501 -3.289 10.466 1.00 0.70 C ATOM 2527 CE LYS A 157 -12.244 -4.439 9.815 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.390 -5.611 10.720 1.00 0.75 N ATOM 0 H LYS A 157 -9.414 -1.699 10.869 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.782 -0.155 10.449 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.690 -1.894 12.676 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.157 -0.963 12.911 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -12.714 -3.233 12.230 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -13.207 -2.103 10.985 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -11.168 -2.596 9.693 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -10.607 -3.673 10.956 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -13.232 -4.099 9.505 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -11.714 -4.745 8.913 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.381 -6.486 10.159 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -11.601 -5.627 11.398 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.290 -5.540 11.237 1.00 0.75 H new ATOM 2542 N SER A 158 -9.440 1.018 12.356 1.00 0.48 N ATOM 2543 CA SER A 158 -8.974 2.170 13.122 1.00 0.58 C ATOM 2544 C SER A 158 -9.111 3.468 12.323 1.00 0.49 C ATOM 2545 O SER A 158 -9.388 4.526 12.887 1.00 0.55 O ATOM 2546 CB SER A 158 -7.522 1.964 13.557 1.00 0.81 C ATOM 2547 OG SER A 158 -7.378 0.756 14.286 1.00 1.39 O ATOM 0 H SER A 158 -8.716 0.327 12.161 1.00 0.48 H new ATOM 0 HA SER A 158 -9.602 2.258 14.008 1.00 0.58 H new ATOM 0 HB2 SER A 158 -6.875 1.943 12.680 1.00 0.81 H new ATOM 0 HB3 SER A 158 -7.200 2.805 14.171 1.00 0.81 H new ATOM 0 HG SER A 158 -7.679 0.004 13.735 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.926 3.388 11.007 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.108 4.555 10.147 1.00 0.46 C ATOM 2555 C LEU A 159 -10.594 4.823 9.903 1.00 0.38 C ATOM 2556 O LEU A 159 -10.980 5.923 9.511 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.383 4.385 8.806 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.881 4.720 8.789 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.615 6.102 9.373 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.070 3.667 9.520 1.00 0.76 C ATOM 0 H LEU A 159 -8.653 2.536 10.517 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.672 5.409 10.665 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.506 3.352 8.481 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.881 5.013 8.067 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.564 4.726 7.746 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.545 6.308 9.347 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -7.144 6.853 8.786 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.965 6.135 10.405 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.014 3.935 9.489 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.399 3.610 10.557 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.213 2.699 9.040 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.424 3.819 10.154 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.858 3.978 9.983 1.00 0.41 C ATOM 2574 C GLY A 160 -13.407 3.166 8.825 1.00 0.35 C ATOM 2575 O GLY A 160 -14.507 3.424 8.340 1.00 0.42 O ATOM 0 H GLY A 160 -11.131 2.896 10.473 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.364 3.680 10.901 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -13.085 5.032 9.821 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.651 2.177 8.377 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.069 1.354 7.252 1.00 0.35 C ATOM 2581 C LEU A 161 -13.624 0.022 7.731 1.00 0.37 C ATOM 2582 O LEU A 161 -13.474 -0.348 8.894 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.900 1.131 6.303 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.144 1.577 4.858 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.831 1.969 4.215 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.810 0.463 4.054 1.00 0.35 C ATOM 0 H LEU A 161 -11.746 1.924 8.774 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.862 1.879 6.718 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -11.031 1.664 6.690 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.649 0.070 6.302 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.812 2.438 4.867 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -11.009 2.286 3.187 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.382 2.790 4.775 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.154 1.114 4.219 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.974 0.801 3.031 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.165 -0.416 4.047 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.767 0.207 4.510 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.261 -0.688 6.815 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.975 -1.911 7.135 1.00 0.42 C ATOM 2600 C LYS A 162 -14.241 -3.141 6.609 1.00 0.36 C ATOM 2601 O LYS A 162 -13.598 -3.096 5.559 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.369 -1.828 6.517 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.331 -1.440 5.050 1.00 0.86 C ATOM 2604 CD LYS A 162 -17.241 -0.261 4.716 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.900 1.007 5.495 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.344 0.952 6.917 1.00 1.46 N ATOM 0 H LYS A 162 -14.297 -0.432 5.828 1.00 0.40 H new ATOM 0 HA LYS A 162 -15.042 -2.012 8.218 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.868 -2.792 6.622 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.964 -1.099 7.067 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -15.307 -1.190 4.773 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -16.624 -2.299 4.446 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -17.175 -0.052 3.648 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -18.274 -0.539 4.923 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -15.823 1.169 5.462 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.366 1.863 5.007 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.615 1.905 7.233 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.161 0.314 7.001 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -16.566 0.598 7.510 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.359 -4.230 7.366 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.799 -5.538 7.010 1.00 0.41 C ATOM 2622 C ASP A 163 -14.285 -5.989 5.636 1.00 0.39 C ATOM 2623 O ASP A 163 -13.617 -6.755 4.938 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.218 -6.565 8.064 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.359 -7.809 8.058 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -13.639 -8.732 7.264 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -12.411 -7.873 8.873 1.00 1.81 O ATOM 0 H ASP A 163 -14.853 -4.231 8.258 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.713 -5.454 6.976 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.171 -6.104 9.050 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.257 -6.848 7.894 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.460 -5.495 5.264 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.057 -5.764 3.961 1.00 0.43 C ATOM 2634 C ASN A 164 -15.098 -5.397 2.832 1.00 0.38 C ATOM 2635 O ASN A 164 -15.077 -6.046 1.792 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.362 -4.973 3.818 1.00 0.52 C ATOM 2637 CG ASN A 164 -17.981 -5.091 2.438 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.725 -6.029 2.160 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -17.699 -4.127 1.569 1.00 1.68 N ATOM 0 H ASN A 164 -16.028 -4.894 5.861 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.268 -6.831 3.892 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -18.077 -5.325 4.562 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -17.169 -3.922 4.034 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -18.105 -4.149 0.633 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -17.077 -3.365 1.837 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.288 -4.370 3.061 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.359 -3.884 2.049 1.00 0.31 C ATOM 2648 C ASN A 165 -11.922 -4.268 2.394 1.00 0.26 C ATOM 2649 O ASN A 165 -10.980 -3.570 2.032 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.473 -2.361 1.901 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.779 -1.924 1.266 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.796 -1.777 1.944 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.751 -1.684 -0.037 1.00 0.61 N ATOM 0 H ASN A 165 -14.256 -3.857 3.942 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.623 -4.353 1.101 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.380 -1.898 2.883 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.642 -1.997 1.297 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.594 -1.365 -0.515 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -13.887 -1.819 -0.562 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.753 -5.371 3.112 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.416 -5.844 3.467 1.00 0.22 C ATOM 2662 C ILE A 166 -10.171 -7.242 2.905 1.00 0.24 C ATOM 2663 O ILE A 166 -11.002 -8.134 3.062 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.227 -5.863 5.007 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.601 -4.506 5.598 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.796 -6.237 5.392 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.553 -4.466 7.105 1.00 0.26 C ATOM 0 H ILE A 166 -12.516 -5.952 3.459 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.694 -5.154 3.031 1.00 0.22 H new ATOM 0 HB ILE A 166 -10.889 -6.626 5.418 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -9.925 -3.748 5.202 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.605 -4.241 5.268 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.700 -6.240 6.478 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.562 -7.228 5.004 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.103 -5.509 4.969 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.831 -3.471 7.452 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.250 -5.199 7.511 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.543 -4.699 7.443 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.032 -7.423 2.242 1.00 0.25 N ATOM 2680 CA VAL A 167 -8.687 -8.698 1.625 1.00 0.26 C ATOM 2681 C VAL A 167 -7.255 -9.094 1.993 1.00 0.26 C ATOM 2682 O VAL A 167 -6.458 -8.266 2.426 1.00 0.31 O ATOM 2683 CB VAL A 167 -8.867 -8.666 0.067 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -9.477 -7.354 -0.395 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.561 -8.933 -0.692 1.00 0.72 C ATOM 0 H VAL A 167 -8.328 -6.695 2.118 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.376 -9.448 2.014 1.00 0.26 H new ATOM 0 HB VAL A 167 -9.553 -9.479 -0.169 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -9.588 -7.366 -1.479 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -10.455 -7.225 0.068 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -8.827 -6.529 -0.106 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -7.750 -8.898 -1.765 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -6.825 -8.174 -0.428 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.179 -9.918 -0.423 1.00 0.72 H new ATOM 2695 N PHE A 168 -6.942 -10.362 1.830 1.00 0.26 N ATOM 2696 CA PHE A 168 -5.601 -10.855 2.080 1.00 0.28 C ATOM 2697 C PHE A 168 -4.945 -11.154 0.743 1.00 0.30 C ATOM 2698 O PHE A 168 -5.581 -11.711 -0.154 1.00 0.42 O ATOM 2699 CB PHE A 168 -5.629 -12.100 2.974 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.278 -11.857 4.310 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -5.716 -10.976 5.225 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -7.452 -12.511 4.653 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.314 -10.754 6.455 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.052 -12.292 5.877 1.00 0.45 C ATOM 2705 CZ PHE A 168 -7.483 -11.413 6.779 1.00 0.40 C ATOM 0 H PHE A 168 -7.602 -11.076 1.523 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.023 -10.098 2.611 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.163 -12.898 2.458 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -4.609 -12.449 3.131 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -4.802 -10.458 4.975 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -7.902 -13.200 3.954 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -5.867 -10.067 7.158 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -8.967 -12.808 6.130 1.00 0.45 H new ATOM 0 HZ PHE A 168 -7.952 -11.242 7.736 1.00 0.40 H new ATOM 2715 N SER A 169 -3.694 -10.755 0.606 1.00 0.48 N ATOM 2716 CA SER A 169 -3.006 -10.821 -0.670 1.00 0.63 C ATOM 2717 C SER A 169 -2.814 -12.257 -1.138 1.00 0.50 C ATOM 2718 O SER A 169 -2.051 -13.023 -0.552 1.00 0.66 O ATOM 2719 CB SER A 169 -1.667 -10.116 -0.560 1.00 1.01 C ATOM 2720 OG SER A 169 -1.836 -8.799 -0.065 1.00 1.75 O ATOM 0 H SER A 169 -3.130 -10.379 1.369 1.00 0.48 H new ATOM 0 HA SER A 169 -3.624 -10.320 -1.415 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.008 -10.677 0.102 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.185 -10.084 -1.537 1.00 1.01 H new ATOM 0 HG SER A 169 -2.477 -8.317 -0.629 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.529 -12.601 -2.200 1.00 0.46 N ATOM 2727 CA VAL A 170 -3.452 -13.917 -2.810 1.00 0.41 C ATOM 2728 C VAL A 170 -2.054 -14.202 -3.343 1.00 0.41 C ATOM 2729 O VAL A 170 -1.540 -13.466 -4.185 1.00 0.43 O ATOM 2730 CB VAL A 170 -4.468 -14.037 -3.968 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -4.308 -15.349 -4.722 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -5.887 -13.879 -3.449 1.00 0.57 C ATOM 0 H VAL A 170 -4.182 -11.970 -2.664 1.00 0.46 H new ATOM 0 HA VAL A 170 -3.688 -14.647 -2.036 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.265 -13.231 -4.673 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.040 -15.397 -5.529 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -3.303 -15.408 -5.140 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -4.467 -16.183 -4.039 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -6.589 -13.966 -4.278 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.094 -14.657 -2.714 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -5.997 -12.900 -2.982 1.00 0.57 H new ATOM 2742 N PRO A 171 -1.417 -15.261 -2.837 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.164 -15.771 -3.391 1.00 0.54 C ATOM 2744 C PRO A 171 -0.397 -16.365 -4.775 1.00 0.54 C ATOM 2745 O PRO A 171 -0.698 -17.555 -4.907 1.00 0.62 O ATOM 2746 CB PRO A 171 0.270 -16.861 -2.401 1.00 0.66 C ATOM 2747 CG PRO A 171 -0.587 -16.669 -1.191 1.00 0.83 C ATOM 2748 CD PRO A 171 -1.859 -16.038 -1.672 1.00 0.57 C ATOM 0 HA PRO A 171 0.590 -14.993 -3.511 1.00 0.54 H new ATOM 0 HB2 PRO A 171 0.131 -17.855 -2.826 1.00 0.66 H new ATOM 0 HB3 PRO A 171 1.327 -16.766 -2.152 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -0.787 -17.622 -0.701 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.090 -16.032 -0.459 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -2.604 -16.786 -1.944 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.309 -15.403 -0.909 1.00 0.57 H new ATOM 2756 N THR A 172 -0.279 -15.528 -5.798 1.00 0.65 N ATOM 2757 CA THR A 172 -0.591 -15.938 -7.157 1.00 0.78 C ATOM 2758 C THR A 172 0.405 -16.965 -7.664 1.00 0.73 C ATOM 2759 O THR A 172 1.548 -17.033 -7.201 1.00 0.72 O ATOM 2760 CB THR A 172 -0.624 -14.734 -8.132 1.00 1.07 C ATOM 2761 OG1 THR A 172 -1.183 -15.125 -9.394 1.00 1.78 O ATOM 2762 CG2 THR A 172 0.767 -14.152 -8.359 1.00 0.81 C ATOM 0 H THR A 172 0.031 -14.560 -5.710 1.00 0.65 H new ATOM 0 HA THR A 172 -1.584 -16.385 -7.124 1.00 0.78 H new ATOM 0 HB THR A 172 -1.248 -13.967 -7.673 1.00 1.07 H new ATOM 0 HG1 THR A 172 -1.199 -14.353 -9.998 1.00 1.78 H new ATOM 0 HG21 THR A 172 0.701 -13.310 -9.048 1.00 0.81 H new ATOM 0 HG22 THR A 172 1.179 -13.812 -7.409 1.00 0.81 H new ATOM 0 HG23 THR A 172 1.417 -14.918 -8.783 1.00 0.81 H new ATOM 2770 N ASP A 173 -0.043 -17.762 -8.612 1.00 0.75 N ATOM 2771 CA ASP A 173 0.823 -18.710 -9.273 1.00 0.80 C ATOM 2772 C ASP A 173 1.242 -18.108 -10.596 1.00 0.77 C ATOM 2773 O ASP A 173 0.620 -18.333 -11.634 1.00 0.86 O ATOM 2774 CB ASP A 173 0.119 -20.052 -9.483 1.00 0.99 C ATOM 2775 CG ASP A 173 1.018 -21.080 -10.142 1.00 1.34 C ATOM 2776 OD1 ASP A 173 1.919 -21.613 -9.461 1.00 1.94 O ATOM 2777 OD2 ASP A 173 0.835 -21.361 -11.345 1.00 1.55 O ATOM 0 H ASP A 173 -1.008 -17.770 -8.942 1.00 0.75 H new ATOM 0 HA ASP A 173 1.698 -18.908 -8.654 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -0.222 -20.435 -8.521 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -0.768 -19.901 -10.098 1.00 0.99 H new ATOM 2782 N GLN A 174 2.295 -17.323 -10.529 1.00 0.78 N ATOM 2783 CA GLN A 174 2.780 -16.571 -11.665 1.00 0.94 C ATOM 2784 C GLN A 174 4.090 -15.902 -11.269 1.00 0.89 C ATOM 2785 O GLN A 174 4.511 -16.014 -10.117 1.00 1.21 O ATOM 2786 CB GLN A 174 1.719 -15.538 -12.098 1.00 1.17 C ATOM 2787 CG GLN A 174 1.958 -14.919 -13.465 1.00 1.69 C ATOM 2788 CD GLN A 174 2.188 -15.958 -14.543 1.00 2.98 C ATOM 2789 OE1 GLN A 174 3.324 -16.336 -14.818 1.00 3.60 O ATOM 2790 NE2 GLN A 174 1.110 -16.429 -15.149 1.00 3.76 N ATOM 0 H GLN A 174 2.842 -17.188 -9.679 1.00 0.78 H new ATOM 0 HA GLN A 174 2.962 -17.227 -12.517 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.741 -16.020 -12.098 1.00 1.17 H new ATOM 0 HB3 GLN A 174 1.682 -14.742 -11.355 1.00 1.17 H new ATOM 0 HG2 GLN A 174 1.100 -14.303 -13.736 1.00 1.69 H new ATOM 0 HG3 GLN A 174 2.822 -14.257 -13.414 1.00 1.69 H new ATOM 0 HE21 GLN A 174 0.186 -16.085 -14.887 1.00 3.76 H new ATOM 0 HE22 GLN A 174 1.203 -17.136 -15.878 1.00 3.76 H new ATOM 2799 N CYS A 175 4.743 -15.241 -12.210 1.00 0.79 N ATOM 2800 CA CYS A 175 6.006 -14.571 -11.935 1.00 0.85 C ATOM 2801 C CYS A 175 5.853 -13.557 -10.806 1.00 1.02 C ATOM 2802 O CYS A 175 4.969 -12.703 -10.841 1.00 2.06 O ATOM 2803 CB CYS A 175 6.513 -13.864 -13.189 1.00 0.90 C ATOM 2804 SG CYS A 175 6.342 -14.840 -14.715 1.00 1.07 S ATOM 0 H CYS A 175 4.420 -15.153 -13.173 1.00 0.79 H new ATOM 0 HA CYS A 175 6.727 -15.329 -11.628 1.00 0.85 H new ATOM 0 HB2 CYS A 175 5.971 -12.926 -13.308 1.00 0.90 H new ATOM 0 HB3 CYS A 175 7.564 -13.609 -13.049 1.00 0.90 H new ATOM 2809 N ILE A 176 6.711 -13.680 -9.803 1.00 0.60 N ATOM 2810 CA ILE A 176 6.758 -12.749 -8.683 1.00 0.56 C ATOM 2811 C ILE A 176 8.015 -13.061 -7.865 1.00 0.80 C ATOM 2812 O ILE A 176 8.035 -13.026 -6.634 1.00 1.52 O ATOM 2813 CB ILE A 176 5.472 -12.836 -7.812 1.00 0.51 C ATOM 2814 CG1 ILE A 176 5.494 -11.783 -6.697 1.00 0.46 C ATOM 2815 CG2 ILE A 176 5.301 -14.237 -7.235 1.00 0.81 C ATOM 2816 CD1 ILE A 176 4.241 -11.766 -5.834 1.00 0.65 C ATOM 0 H ILE A 176 7.398 -14.432 -9.743 1.00 0.60 H new ATOM 0 HA ILE A 176 6.802 -11.725 -9.054 1.00 0.56 H new ATOM 0 HB ILE A 176 4.615 -12.629 -8.453 1.00 0.51 H new ATOM 0 HG12 ILE A 176 6.359 -11.963 -6.059 1.00 0.46 H new ATOM 0 HG13 ILE A 176 5.627 -10.798 -7.145 1.00 0.46 H new ATOM 0 HG21 ILE A 176 4.395 -14.273 -6.630 1.00 0.81 H new ATOM 0 HG22 ILE A 176 5.223 -14.958 -8.048 1.00 0.81 H new ATOM 0 HG23 ILE A 176 6.162 -14.482 -6.614 1.00 0.81 H new ATOM 0 HD11 ILE A 176 4.336 -10.994 -5.070 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.372 -11.554 -6.458 1.00 0.65 H new ATOM 0 HD13 ILE A 176 4.116 -12.737 -5.355 1.00 0.65 H new