USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 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 136 LYS NZ :NH3+ -126:sc= 1.21 (180deg=-0.0362) USER MOD Set 1.2: A 139 GLN : amide:sc= 0.204 K(o=1.4,f=-17!) USER MOD Set 2.1: A 73 TYR OH : rot 130:sc= 0.187 USER MOD Set 2.2: A 111 ASN : amide:sc= -0.909 K(o=-0.72,f=-2.2!) USER MOD Set 3.1: A 42 MET CE :methyl 143:sc= -1.88 (180deg=-3.11!) USER MOD Set 3.2: A 102 MET CE :methyl -172:sc= -0.322 (180deg=-0.521) USER MOD Set 3.3: A 140 MET CE :methyl -148:sc= -1.23 (180deg=-2.13) USER MOD Set 4.1: A 38 GLN : amide:sc= 1.65 K(o=3.6,f=1.2) USER MOD Set 4.2: A 97 SER OG : rot -157:sc= 1.02 USER MOD Set 4.3: A 99 SER OG : rot -58:sc= 0.91 USER MOD Set 5.1: A 40 GLN : amide:sc= -0.284 K(o=-0.92,f=-5.6!) USER MOD Set 5.2: A 44 ASN : amide:sc= -0.639 K(o=-0.92,f=-2.6!) USER MOD Single : A 27 SER OG : rot -1:sc= 1.12 USER MOD Single : A 28 ASN : amide:sc= 0.391 K(o=0.39,f=-6.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 2.36 (180deg=2.24) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.923 K(o=-0.92,f=-0.27) USER MOD Single : A 41 TYR OH : rot -95:sc= 0.903 USER MOD Single : A 43 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-5.9!) USER MOD Single : A 54 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 60 TYR OH : rot 16:sc= 1.28 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.569 (180deg=-1.65!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 74 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 0.119 (180deg=-0.0143) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 173:sc= -0.255 (180deg=-0.341) USER MOD Single : A 83 MET CE :methyl -136:sc= -0.651 (180deg=-3.7!) USER MOD Single : A 85 THR OG1 : rot 111:sc= 0.806 USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 93 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.7) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -36:sc= 1.17 USER MOD Single : A 101 CYS SG : rot -49:sc= -0.398 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -85:sc= 0.465 USER MOD Single : A 112 CYS SG : rot 140:sc= -0.0229 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 115 TYR OH : rot 110:sc= -0.298 USER MOD Single : A 116 ASN : amide:sc= 0.675 K(o=0.67,f=-0.18) USER MOD Single : A 117 LYS NZ :NH3+ -138:sc= 1.23 (180deg=-0.668) USER MOD Single : A 119 THR OG1 : rot 180:sc=0.000637 USER MOD Single : A 125 MET CE :methyl 179:sc= -0.0648 (180deg=-0.0659) USER MOD Single : A 127 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.12) USER MOD Single : A 131 LYS NZ :NH3+ -175:sc= 2.21 (180deg=2.13) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 142 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.899 -12.309 2.875 1.00 0.93 N ATOM 69 CA VAL A 26 6.483 -11.307 3.751 1.00 0.84 C ATOM 70 C VAL A 26 7.999 -11.393 3.660 1.00 0.83 C ATOM 71 O VAL A 26 8.722 -10.459 4.010 1.00 0.85 O ATOM 72 CB VAL A 26 6.000 -11.477 5.212 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.859 -12.474 5.977 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.970 -10.134 5.925 1.00 0.83 C ATOM 0 HA VAL A 26 6.156 -10.319 3.426 1.00 0.84 H new ATOM 0 HB VAL A 26 4.987 -11.877 5.179 1.00 0.83 H new ATOM 0 HG11 VAL A 26 6.488 -12.566 6.998 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.813 -13.446 5.486 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.892 -12.125 5.996 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.628 -10.274 6.950 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.971 -9.703 5.932 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.289 -9.461 5.404 1.00 0.83 H new ATOM 84 N SER A 27 8.453 -12.523 3.141 1.00 0.91 N ATOM 85 CA SER A 27 9.859 -12.800 2.933 1.00 1.00 C ATOM 86 C SER A 27 9.989 -14.029 2.049 1.00 1.07 C ATOM 87 O SER A 27 9.148 -14.928 2.098 1.00 1.19 O ATOM 88 CB SER A 27 10.583 -13.048 4.262 1.00 1.15 C ATOM 89 OG SER A 27 10.695 -11.859 5.029 1.00 1.61 O ATOM 0 H SER A 27 7.841 -13.285 2.848 1.00 0.91 H new ATOM 0 HA SER A 27 10.318 -11.934 2.457 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.043 -13.801 4.835 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.577 -13.449 4.065 1.00 1.15 H new ATOM 0 HG SER A 27 10.300 -11.112 4.533 1.00 1.61 H new ATOM 95 N ASN A 28 11.018 -14.047 1.227 1.00 1.07 N ATOM 96 CA ASN A 28 11.302 -15.192 0.376 1.00 1.18 C ATOM 97 C ASN A 28 12.795 -15.492 0.435 1.00 1.23 C ATOM 98 O ASN A 28 13.615 -14.591 0.274 1.00 1.12 O ATOM 99 CB ASN A 28 10.842 -14.915 -1.065 1.00 1.19 C ATOM 100 CG ASN A 28 11.121 -16.065 -2.023 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.274 -16.419 -2.279 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.066 -16.651 -2.572 1.00 1.48 N ATOM 0 H ASN A 28 11.679 -13.276 1.128 1.00 1.07 H new ATOM 0 HA ASN A 28 10.753 -16.064 0.731 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.772 -14.706 -1.063 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.341 -14.018 -1.431 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.194 -17.421 -3.229 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.126 -16.332 -2.337 1.00 1.48 H new ATOM 109 N PRO A 29 13.161 -16.759 0.688 1.00 1.46 N ATOM 110 CA PRO A 29 14.559 -17.172 0.896 1.00 1.60 C ATOM 111 C PRO A 29 15.461 -16.879 -0.300 1.00 1.54 C ATOM 112 O PRO A 29 16.542 -16.312 -0.148 1.00 1.54 O ATOM 113 CB PRO A 29 14.447 -18.687 1.108 1.00 1.87 C ATOM 114 CG PRO A 29 13.151 -19.057 0.485 1.00 1.86 C ATOM 115 CD PRO A 29 12.244 -17.908 0.780 1.00 1.65 C ATOM 0 HA PRO A 29 15.014 -16.629 1.725 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.277 -19.215 0.640 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.465 -18.941 2.168 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.258 -19.211 -0.589 1.00 1.86 H new ATOM 0 HG3 PRO A 29 12.762 -19.985 0.903 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.429 -17.837 0.060 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.791 -17.990 1.768 1.00 1.65 H new ATOM 123 N SER A 30 15.011 -17.261 -1.485 1.00 1.57 N ATOM 124 CA SER A 30 15.820 -17.149 -2.684 1.00 1.63 C ATOM 125 C SER A 30 15.771 -15.735 -3.257 1.00 1.47 C ATOM 126 O SER A 30 16.715 -15.284 -3.909 1.00 1.58 O ATOM 127 CB SER A 30 15.320 -18.160 -3.706 1.00 1.81 C ATOM 128 OG SER A 30 15.117 -19.426 -3.097 1.00 2.18 O ATOM 0 H SER A 30 14.083 -17.654 -1.640 1.00 1.57 H new ATOM 0 HA SER A 30 16.860 -17.358 -2.434 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.387 -17.809 -4.147 1.00 1.81 H new ATOM 0 HB3 SER A 30 16.042 -18.252 -4.518 1.00 1.81 H new ATOM 0 HG SER A 30 14.794 -20.064 -3.768 1.00 2.18 H new ATOM 134 N LYS A 31 14.668 -15.047 -3.015 1.00 1.28 N ATOM 135 CA LYS A 31 14.502 -13.674 -3.481 1.00 1.14 C ATOM 136 C LYS A 31 15.282 -12.711 -2.588 1.00 1.01 C ATOM 137 O LYS A 31 14.991 -12.596 -1.396 1.00 1.03 O ATOM 138 CB LYS A 31 13.020 -13.301 -3.486 1.00 1.14 C ATOM 139 CG LYS A 31 12.726 -11.923 -4.054 1.00 1.18 C ATOM 140 CD LYS A 31 11.978 -11.062 -3.048 1.00 1.26 C ATOM 141 CE LYS A 31 11.178 -9.970 -3.738 1.00 1.93 C ATOM 142 NZ LYS A 31 11.788 -8.628 -3.540 1.00 2.75 N ATOM 0 H LYS A 31 13.870 -15.415 -2.497 1.00 1.28 H new ATOM 0 HA LYS A 31 14.891 -13.599 -4.496 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.472 -14.045 -4.065 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.641 -13.349 -2.465 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.660 -11.434 -4.332 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.134 -12.021 -4.964 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.308 -11.688 -2.458 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.687 -10.612 -2.354 1.00 1.26 H new ATOM 0 HE2 LYS A 31 11.113 -10.186 -4.804 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.159 -9.967 -3.351 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.317 -7.938 -4.159 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.674 -8.338 -2.548 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.800 -8.669 -3.775 1.00 2.75 H new ATOM 156 N PRO A 32 16.288 -12.015 -3.139 1.00 0.99 N ATOM 157 CA PRO A 32 17.088 -11.065 -2.373 1.00 0.97 C ATOM 158 C PRO A 32 16.307 -9.801 -2.028 1.00 0.85 C ATOM 159 O PRO A 32 15.390 -9.396 -2.751 1.00 0.89 O ATOM 160 CB PRO A 32 18.268 -10.725 -3.296 1.00 1.14 C ATOM 161 CG PRO A 32 18.170 -11.660 -4.458 1.00 1.38 C ATOM 162 CD PRO A 32 16.737 -12.100 -4.537 1.00 1.13 C ATOM 0 HA PRO A 32 17.398 -11.489 -1.418 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.218 -9.687 -3.626 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.218 -10.849 -2.776 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.474 -11.165 -5.380 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.831 -12.516 -4.323 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.151 -11.452 -5.189 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.647 -13.113 -4.929 1.00 1.13 H new ATOM 170 N GLY A 33 16.680 -9.192 -0.920 1.00 0.83 N ATOM 171 CA GLY A 33 16.044 -7.971 -0.484 1.00 0.79 C ATOM 172 C GLY A 33 17.016 -7.088 0.264 1.00 0.76 C ATOM 173 O GLY A 33 17.003 -7.043 1.494 1.00 0.97 O ATOM 0 H GLY A 33 17.423 -9.526 -0.306 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.650 -7.434 -1.347 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.196 -8.208 0.158 1.00 0.79 H new ATOM 177 N ARG A 34 17.877 -6.405 -0.477 1.00 0.81 N ATOM 178 CA ARG A 34 18.892 -5.554 0.125 1.00 0.79 C ATOM 179 C ARG A 34 18.288 -4.219 0.527 1.00 0.79 C ATOM 180 O ARG A 34 17.574 -3.597 -0.249 1.00 0.97 O ATOM 181 CB ARG A 34 20.055 -5.333 -0.844 1.00 0.82 C ATOM 182 CG ARG A 34 20.727 -6.620 -1.294 1.00 1.24 C ATOM 183 CD ARG A 34 22.239 -6.469 -1.356 1.00 1.04 C ATOM 184 NE ARG A 34 22.656 -5.591 -2.446 1.00 0.98 N ATOM 185 CZ ARG A 34 23.173 -6.013 -3.600 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.341 -7.313 -3.831 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.514 -5.126 -4.526 1.00 1.56 N ATOM 0 H ARG A 34 17.892 -6.424 -1.497 1.00 0.81 H new ATOM 0 HA ARG A 34 19.273 -6.053 1.016 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.689 -4.798 -1.721 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.797 -4.693 -0.367 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.469 -7.426 -0.607 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.348 -6.905 -2.276 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.603 -6.070 -0.409 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.696 -7.450 -1.485 1.00 1.04 H new ATOM 0 HE ARG A 34 22.544 -4.586 -2.315 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.073 -7.996 -3.122 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.737 -7.626 -4.717 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.380 -4.130 -4.352 1.00 1.56 H new ATOM 0 HH22 ARG A 34 23.910 -5.440 -5.412 1.00 1.56 H new ATOM 201 N LYS A 35 18.579 -3.789 1.742 1.00 0.80 N ATOM 202 CA LYS A 35 18.025 -2.552 2.271 1.00 0.82 C ATOM 203 C LYS A 35 18.667 -1.353 1.590 1.00 0.77 C ATOM 204 O LYS A 35 19.848 -1.073 1.796 1.00 0.93 O ATOM 205 CB LYS A 35 18.264 -2.487 3.781 1.00 0.87 C ATOM 206 CG LYS A 35 17.586 -1.312 4.468 1.00 1.42 C ATOM 207 CD LYS A 35 18.009 -1.200 5.927 1.00 1.71 C ATOM 208 CE LYS A 35 19.504 -0.941 6.061 1.00 1.85 C ATOM 209 NZ LYS A 35 19.883 -0.555 7.446 1.00 2.64 N ATOM 0 H LYS A 35 19.199 -4.280 2.385 1.00 0.80 H new ATOM 0 HA LYS A 35 16.953 -2.530 2.075 1.00 0.82 H new ATOM 0 HB2 LYS A 35 17.909 -3.413 4.234 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.337 -2.432 3.966 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.835 -0.389 3.944 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.504 -1.430 4.410 1.00 1.42 H new ATOM 0 HD2 LYS A 35 17.455 -0.392 6.406 1.00 1.71 H new ATOM 0 HD3 LYS A 35 17.750 -2.119 6.453 1.00 1.71 H new ATOM 0 HE2 LYS A 35 20.054 -1.836 5.771 1.00 1.85 H new ATOM 0 HE3 LYS A 35 19.798 -0.150 5.371 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 20.909 -0.388 7.492 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.379 0.314 7.714 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 19.627 -1.320 8.102 1.00 2.64 H new ATOM 223 N THR A 36 17.905 -0.656 0.768 1.00 0.59 N ATOM 224 CA THR A 36 18.418 0.526 0.110 1.00 0.54 C ATOM 225 C THR A 36 17.799 1.781 0.709 1.00 0.46 C ATOM 226 O THR A 36 16.814 1.703 1.448 1.00 0.46 O ATOM 227 CB THR A 36 18.165 0.507 -1.409 1.00 0.56 C ATOM 228 OG1 THR A 36 16.817 0.911 -1.694 1.00 0.54 O ATOM 229 CG2 THR A 36 18.408 -0.875 -1.992 1.00 0.68 C ATOM 0 H THR A 36 16.937 -0.887 0.543 1.00 0.59 H new ATOM 0 HA THR A 36 19.496 0.532 0.271 1.00 0.54 H new ATOM 0 HB THR A 36 18.863 1.207 -1.868 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.669 0.897 -2.663 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.221 -0.855 -3.066 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.441 -1.171 -1.809 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.737 -1.592 -1.520 1.00 0.68 H new ATOM 237 N ASN A 37 18.378 2.933 0.386 1.00 0.42 N ATOM 238 CA ASN A 37 17.899 4.211 0.898 1.00 0.40 C ATOM 239 C ASN A 37 16.459 4.456 0.473 1.00 0.33 C ATOM 240 O ASN A 37 15.639 4.866 1.282 1.00 0.33 O ATOM 241 CB ASN A 37 18.791 5.359 0.412 1.00 0.48 C ATOM 242 CG ASN A 37 18.282 6.719 0.862 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.976 6.924 2.036 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.195 7.660 -0.070 1.00 0.78 N ATOM 0 H ASN A 37 19.186 3.007 -0.233 1.00 0.42 H new ATOM 0 HA ASN A 37 17.940 4.173 1.987 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.804 5.211 0.786 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.846 5.337 -0.676 1.00 0.48 H new ATOM 0 HD21 ASN A 37 17.865 8.593 0.177 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.458 7.450 -1.033 1.00 0.78 H new ATOM 251 N GLN A 38 16.154 4.175 -0.793 1.00 0.33 N ATOM 252 CA GLN A 38 14.810 4.380 -1.327 1.00 0.31 C ATOM 253 C GLN A 38 13.780 3.574 -0.539 1.00 0.26 C ATOM 254 O GLN A 38 12.688 4.063 -0.250 1.00 0.25 O ATOM 255 CB GLN A 38 14.762 3.986 -2.805 1.00 0.36 C ATOM 256 CG GLN A 38 13.753 4.784 -3.617 1.00 0.46 C ATOM 257 CD GLN A 38 13.696 4.346 -5.066 1.00 0.59 C ATOM 258 OE1 GLN A 38 12.976 3.409 -5.418 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.442 5.024 -5.921 1.00 0.55 N ATOM 0 H GLN A 38 16.822 3.804 -1.469 1.00 0.33 H new ATOM 0 HA GLN A 38 14.565 5.438 -1.231 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.752 4.119 -3.240 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.520 2.926 -2.882 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.765 4.676 -3.169 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.010 5.842 -3.571 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.025 5.793 -5.591 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.435 4.778 -6.911 1.00 0.55 H new ATOM 268 N LEU A 39 14.148 2.349 -0.179 1.00 0.28 N ATOM 269 CA LEU A 39 13.256 1.463 0.562 1.00 0.31 C ATOM 270 C LEU A 39 12.912 2.052 1.927 1.00 0.29 C ATOM 271 O LEU A 39 11.741 2.264 2.248 1.00 0.30 O ATOM 272 CB LEU A 39 13.896 0.082 0.739 1.00 0.38 C ATOM 273 CG LEU A 39 13.143 -0.866 1.672 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.450 -1.957 0.872 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.093 -1.472 2.693 1.00 0.80 C ATOM 0 H LEU A 39 15.061 1.946 -0.389 1.00 0.28 H new ATOM 0 HA LEU A 39 12.336 1.358 -0.013 1.00 0.31 H new ATOM 0 HB2 LEU A 39 13.983 -0.389 -0.240 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.909 0.214 1.120 1.00 0.38 H new ATOM 0 HG LEU A 39 12.383 -0.296 2.207 1.00 0.45 H new ATOM 0 HD11 LEU A 39 11.918 -2.624 1.551 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.741 -1.505 0.178 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.193 -2.526 0.313 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.541 -2.144 3.350 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.875 -2.030 2.177 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.546 -0.677 3.286 1.00 0.80 H new ATOM 287 N GLN A 40 13.942 2.321 2.721 1.00 0.29 N ATOM 288 CA GLN A 40 13.752 2.870 4.060 1.00 0.30 C ATOM 289 C GLN A 40 13.164 4.274 3.992 1.00 0.26 C ATOM 290 O GLN A 40 12.437 4.701 4.897 1.00 0.28 O ATOM 291 CB GLN A 40 15.077 2.888 4.826 1.00 0.36 C ATOM 292 CG GLN A 40 15.300 1.645 5.674 1.00 0.42 C ATOM 293 CD GLN A 40 14.452 1.633 6.934 1.00 0.72 C ATOM 294 OE1 GLN A 40 13.373 2.219 6.981 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.938 0.967 7.968 1.00 0.83 N ATOM 0 H GLN A 40 14.917 2.168 2.462 1.00 0.29 H new ATOM 0 HA GLN A 40 13.049 2.228 4.592 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.898 2.986 4.116 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.105 3.768 5.469 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.073 0.760 5.080 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.353 1.582 5.949 1.00 0.42 H new ATOM 0 HE21 GLN A 40 15.838 0.492 7.892 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.413 0.928 8.842 1.00 0.83 H new ATOM 304 N TYR A 41 13.477 4.983 2.912 1.00 0.25 N ATOM 305 CA TYR A 41 12.946 6.307 2.683 1.00 0.24 C ATOM 306 C TYR A 41 11.432 6.270 2.635 1.00 0.22 C ATOM 307 O TYR A 41 10.772 6.827 3.502 1.00 0.23 O ATOM 308 CB TYR A 41 13.492 6.869 1.369 1.00 0.24 C ATOM 309 CG TYR A 41 13.094 8.293 1.098 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.900 8.585 0.457 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.909 9.343 1.480 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.526 9.885 0.205 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.545 10.648 1.233 1.00 0.52 C ATOM 314 CZ TYR A 41 12.354 10.917 0.595 1.00 0.53 C ATOM 315 OH TYR A 41 11.992 12.221 0.349 1.00 0.64 O ATOM 0 H TYR A 41 14.103 4.651 2.179 1.00 0.25 H new ATOM 0 HA TYR A 41 13.255 6.952 3.506 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.580 6.803 1.382 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.145 6.243 0.547 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.252 7.778 0.150 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.844 9.137 1.979 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.592 10.096 -0.294 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.191 11.458 1.538 1.00 0.52 H new ATOM 0 HH TYR A 41 12.403 12.522 -0.488 1.00 0.64 H new ATOM 325 N MET A 42 10.883 5.574 1.648 1.00 0.20 N ATOM 326 CA MET A 42 9.445 5.564 1.446 1.00 0.20 C ATOM 327 C MET A 42 8.730 5.045 2.685 1.00 0.21 C ATOM 328 O MET A 42 7.648 5.518 3.021 1.00 0.22 O ATOM 329 CB MET A 42 9.085 4.725 0.211 1.00 0.23 C ATOM 330 CG MET A 42 7.916 3.766 0.411 1.00 0.80 C ATOM 331 SD MET A 42 6.451 4.246 -0.525 1.00 1.07 S ATOM 332 CE MET A 42 6.943 3.768 -2.177 1.00 1.13 C ATOM 0 H MET A 42 11.411 5.013 0.979 1.00 0.20 H new ATOM 0 HA MET A 42 9.113 6.587 1.273 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.848 5.399 -0.613 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.961 4.151 -0.089 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.220 2.763 0.112 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.666 3.721 1.471 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.080 3.372 -2.713 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.332 4.638 -2.707 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.717 3.002 -2.119 1.00 1.13 H new ATOM 342 N GLN A 43 9.364 4.106 3.380 1.00 0.24 N ATOM 343 CA GLN A 43 8.780 3.505 4.571 1.00 0.30 C ATOM 344 C GLN A 43 8.455 4.569 5.613 1.00 0.30 C ATOM 345 O GLN A 43 7.316 4.690 6.061 1.00 0.33 O ATOM 346 CB GLN A 43 9.740 2.472 5.165 1.00 0.42 C ATOM 347 CG GLN A 43 9.116 1.602 6.244 1.00 0.84 C ATOM 348 CD GLN A 43 10.141 0.736 6.948 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.217 0.710 8.176 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.939 0.019 6.175 1.00 0.54 N ATOM 0 H GLN A 43 10.286 3.744 3.136 1.00 0.24 H new ATOM 0 HA GLN A 43 7.853 3.010 4.282 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.110 1.832 4.364 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.603 2.990 5.583 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.616 2.237 6.975 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.351 0.966 5.798 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.845 0.068 5.161 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.649 -0.583 6.593 1.00 0.54 H new ATOM 359 N ASN A 44 9.457 5.347 5.980 1.00 0.30 N ATOM 360 CA ASN A 44 9.292 6.356 7.019 1.00 0.33 C ATOM 361 C ASN A 44 8.758 7.665 6.456 1.00 0.31 C ATOM 362 O ASN A 44 8.071 8.414 7.147 1.00 0.34 O ATOM 363 CB ASN A 44 10.621 6.610 7.731 1.00 0.37 C ATOM 364 CG ASN A 44 11.099 5.410 8.526 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.737 5.239 9.691 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.918 4.573 7.904 1.00 0.47 N ATOM 0 H ASN A 44 10.393 5.302 5.577 1.00 0.30 H new ATOM 0 HA ASN A 44 8.563 5.970 7.731 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.378 6.877 6.994 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.513 7.464 8.400 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.273 3.750 8.391 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.193 4.752 6.938 1.00 0.47 H new ATOM 373 N VAL A 45 9.085 7.943 5.211 1.00 0.27 N ATOM 374 CA VAL A 45 8.728 9.208 4.598 1.00 0.27 C ATOM 375 C VAL A 45 7.350 9.165 3.942 1.00 0.24 C ATOM 376 O VAL A 45 6.474 9.956 4.275 1.00 0.28 O ATOM 377 CB VAL A 45 9.776 9.626 3.553 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.359 10.901 2.852 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.141 9.785 4.198 1.00 0.30 C ATOM 0 H VAL A 45 9.599 7.308 4.601 1.00 0.27 H new ATOM 0 HA VAL A 45 8.699 9.944 5.402 1.00 0.27 H new ATOM 0 HB VAL A 45 9.844 8.837 2.804 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.116 11.177 2.118 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.405 10.744 2.349 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.255 11.702 3.584 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.868 10.081 3.442 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.091 10.550 4.972 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.446 8.838 4.643 1.00 0.30 H new ATOM 389 N VAL A 46 7.154 8.240 3.018 1.00 0.19 N ATOM 390 CA VAL A 46 5.939 8.223 2.215 1.00 0.19 C ATOM 391 C VAL A 46 4.784 7.550 2.949 1.00 0.19 C ATOM 392 O VAL A 46 3.810 8.210 3.317 1.00 0.19 O ATOM 393 CB VAL A 46 6.157 7.525 0.856 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.904 7.621 -0.001 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.345 8.131 0.127 1.00 0.22 C ATOM 0 H VAL A 46 7.816 7.494 2.804 1.00 0.19 H new ATOM 0 HA VAL A 46 5.681 9.267 2.035 1.00 0.19 H new ATOM 0 HB VAL A 46 6.368 6.472 1.043 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.077 7.123 -0.955 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.073 7.139 0.514 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.663 8.669 -0.177 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.482 7.625 -0.829 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.163 9.192 -0.047 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.243 8.011 0.733 1.00 0.22 H new ATOM 405 N VAL A 47 4.904 6.246 3.187 1.00 0.20 N ATOM 406 CA VAL A 47 3.806 5.477 3.765 1.00 0.23 C ATOM 407 C VAL A 47 3.461 5.960 5.174 1.00 0.23 C ATOM 408 O VAL A 47 2.298 5.963 5.560 1.00 0.25 O ATOM 409 CB VAL A 47 4.079 3.942 3.760 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.401 3.617 3.093 1.00 0.70 C ATOM 411 CG2 VAL A 47 4.040 3.337 5.160 1.00 0.83 C ATOM 0 H VAL A 47 5.745 5.703 2.990 1.00 0.20 H new ATOM 0 HA VAL A 47 2.943 5.651 3.122 1.00 0.23 H new ATOM 0 HB VAL A 47 3.272 3.493 3.182 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.560 2.539 3.107 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.384 3.968 2.061 1.00 0.70 H new ATOM 0 HG13 VAL A 47 6.211 4.110 3.631 1.00 0.70 H new ATOM 0 HG21 VAL A 47 4.236 2.267 5.099 1.00 0.83 H new ATOM 0 HG22 VAL A 47 4.799 3.811 5.782 1.00 0.83 H new ATOM 0 HG23 VAL A 47 3.056 3.501 5.600 1.00 0.83 H new ATOM 421 N LYS A 48 4.463 6.389 5.934 1.00 0.26 N ATOM 422 CA LYS A 48 4.221 6.852 7.295 1.00 0.30 C ATOM 423 C LYS A 48 3.411 8.147 7.310 1.00 0.28 C ATOM 424 O LYS A 48 2.571 8.346 8.185 1.00 0.33 O ATOM 425 CB LYS A 48 5.536 7.038 8.041 1.00 0.36 C ATOM 426 CG LYS A 48 5.643 6.172 9.284 1.00 0.53 C ATOM 427 CD LYS A 48 6.984 6.338 9.978 1.00 1.25 C ATOM 428 CE LYS A 48 7.536 5.000 10.451 1.00 1.79 C ATOM 429 NZ LYS A 48 7.156 4.711 11.859 1.00 2.40 N ATOM 0 H LYS A 48 5.438 6.426 5.636 1.00 0.26 H new ATOM 0 HA LYS A 48 3.635 6.087 7.804 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.363 6.805 7.371 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.641 8.085 8.325 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.842 6.431 9.976 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.503 5.126 9.011 1.00 0.53 H new ATOM 0 HD2 LYS A 48 7.693 6.805 9.295 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.874 7.009 10.830 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.165 4.205 9.804 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.622 5.003 10.361 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 7.551 3.792 12.143 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.531 5.456 12.480 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 6.120 4.683 11.940 1.00 2.40 H new ATOM 443 N THR A 49 3.654 9.022 6.343 1.00 0.23 N ATOM 444 CA THR A 49 2.892 10.260 6.249 1.00 0.24 C ATOM 445 C THR A 49 1.498 9.988 5.684 1.00 0.22 C ATOM 446 O THR A 49 0.518 10.601 6.111 1.00 0.24 O ATOM 447 CB THR A 49 3.612 11.318 5.390 1.00 0.28 C ATOM 448 OG1 THR A 49 4.988 11.402 5.779 1.00 0.55 O ATOM 449 CG2 THR A 49 2.958 12.682 5.552 1.00 0.52 C ATOM 0 H THR A 49 4.364 8.900 5.621 1.00 0.23 H new ATOM 0 HA THR A 49 2.800 10.660 7.259 1.00 0.24 H new ATOM 0 HB THR A 49 3.541 11.018 4.345 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.466 10.606 5.466 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.483 13.413 4.937 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.916 12.625 5.238 1.00 0.52 H new ATOM 0 HG23 THR A 49 3.006 12.987 6.597 1.00 0.52 H new ATOM 457 N LEU A 50 1.416 9.055 4.738 1.00 0.20 N ATOM 458 CA LEU A 50 0.130 8.616 4.201 1.00 0.21 C ATOM 459 C LEU A 50 -0.702 7.991 5.316 1.00 0.20 C ATOM 460 O LEU A 50 -1.900 8.240 5.435 1.00 0.21 O ATOM 461 CB LEU A 50 0.344 7.595 3.072 1.00 0.24 C ATOM 462 CG LEU A 50 -0.617 7.693 1.876 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.211 6.330 1.549 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.728 8.696 2.143 1.00 0.29 C ATOM 0 H LEU A 50 2.225 8.588 4.328 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.398 9.479 3.795 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.364 7.703 2.702 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.263 6.594 3.496 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.041 8.041 1.018 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.888 6.422 0.700 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.410 5.634 1.300 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.761 5.956 2.413 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.391 8.743 1.279 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.296 8.385 3.020 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.295 9.680 2.322 1.00 0.29 H new ATOM 476 N TRP A 51 -0.033 7.189 6.131 1.00 0.22 N ATOM 477 CA TRP A 51 -0.644 6.531 7.275 1.00 0.24 C ATOM 478 C TRP A 51 -1.296 7.541 8.211 1.00 0.26 C ATOM 479 O TRP A 51 -2.353 7.284 8.777 1.00 0.29 O ATOM 480 CB TRP A 51 0.430 5.746 8.029 1.00 0.27 C ATOM 481 CG TRP A 51 -0.109 4.727 8.979 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.542 4.945 10.254 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.250 3.322 8.740 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.958 3.767 10.818 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.789 2.753 9.908 1.00 0.31 C ATOM 486 CE3 TRP A 51 0.019 2.493 7.646 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.057 1.389 10.016 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.246 1.142 7.753 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.781 0.601 8.930 1.00 0.39 C ATOM 0 H TRP A 51 0.958 6.975 6.015 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.422 5.857 6.916 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.074 5.247 7.305 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.055 6.447 8.582 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.555 5.906 10.747 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.332 3.661 11.761 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.427 2.902 6.734 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.467 0.969 10.923 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.038 0.492 6.916 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -0.980 -0.459 8.982 1.00 0.39 H new ATOM 500 N LYS A 52 -0.680 8.699 8.349 1.00 0.27 N ATOM 501 CA LYS A 52 -1.123 9.676 9.328 1.00 0.29 C ATOM 502 C LYS A 52 -2.150 10.648 8.757 1.00 0.30 C ATOM 503 O LYS A 52 -2.333 11.748 9.280 1.00 0.45 O ATOM 504 CB LYS A 52 0.067 10.424 9.887 1.00 0.33 C ATOM 505 CG LYS A 52 0.986 9.530 10.697 1.00 0.48 C ATOM 506 CD LYS A 52 0.245 8.753 11.773 1.00 1.13 C ATOM 507 CE LYS A 52 1.178 7.794 12.491 1.00 1.74 C ATOM 508 NZ LYS A 52 1.522 8.273 13.853 1.00 2.24 N ATOM 0 H LYS A 52 0.128 8.987 7.797 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.618 9.132 10.132 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.630 10.870 9.067 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.285 11.243 10.515 1.00 0.33 H new ATOM 0 HG2 LYS A 52 1.488 8.830 10.029 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.762 10.138 11.162 1.00 0.48 H new ATOM 0 HD2 LYS A 52 -0.193 9.446 12.491 1.00 1.13 H new ATOM 0 HD3 LYS A 52 -0.578 8.197 11.324 1.00 1.13 H new ATOM 0 HE2 LYS A 52 0.708 6.813 12.559 1.00 1.74 H new ATOM 0 HE3 LYS A 52 2.091 7.671 11.908 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 2.160 7.591 14.310 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 1.993 9.198 13.787 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 0.654 8.367 14.418 1.00 2.24 H new ATOM 522 N HIS A 53 -2.820 10.245 7.690 1.00 0.25 N ATOM 523 CA HIS A 53 -3.897 11.048 7.132 1.00 0.26 C ATOM 524 C HIS A 53 -5.219 10.688 7.801 1.00 0.31 C ATOM 525 O HIS A 53 -5.438 9.540 8.186 1.00 0.35 O ATOM 526 CB HIS A 53 -4.000 10.850 5.619 1.00 0.24 C ATOM 527 CG HIS A 53 -4.857 11.879 4.941 1.00 0.27 C ATOM 528 ND1 HIS A 53 -6.120 11.578 4.494 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.588 13.177 4.663 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.588 12.689 3.954 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.697 13.685 4.036 1.00 0.39 N ATOM 0 H HIS A 53 -2.639 9.372 7.195 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.675 12.098 7.323 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -3.000 10.879 5.187 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.406 9.859 5.416 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.676 13.709 4.891 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.565 12.782 3.504 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.820 14.639 3.697 1.00 0.39 H new ATOM 539 N GLN A 54 -6.103 11.667 7.919 1.00 0.42 N ATOM 540 CA GLN A 54 -7.360 11.481 8.632 1.00 0.54 C ATOM 541 C GLN A 54 -8.343 10.624 7.840 1.00 0.42 C ATOM 542 O GLN A 54 -9.318 10.118 8.391 1.00 0.47 O ATOM 543 CB GLN A 54 -7.983 12.840 8.953 1.00 0.79 C ATOM 544 CG GLN A 54 -7.684 13.321 10.364 1.00 1.09 C ATOM 545 CD GLN A 54 -8.228 12.381 11.424 1.00 1.24 C ATOM 546 OE1 GLN A 54 -9.439 12.213 11.557 1.00 1.91 O ATOM 547 NE2 GLN A 54 -7.338 11.770 12.190 1.00 1.21 N ATOM 0 H GLN A 54 -5.974 12.601 7.530 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.140 10.953 9.560 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.616 13.578 8.240 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.063 12.777 8.819 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.606 13.421 10.490 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.115 14.312 10.506 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.342 11.937 12.047 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -7.648 11.132 12.923 1.00 1.21 H new ATOM 556 N PHE A 55 -8.087 10.458 6.549 1.00 0.36 N ATOM 557 CA PHE A 55 -8.967 9.661 5.702 1.00 0.31 C ATOM 558 C PHE A 55 -8.318 8.324 5.354 1.00 0.27 C ATOM 559 O PHE A 55 -8.879 7.525 4.608 1.00 0.29 O ATOM 560 CB PHE A 55 -9.311 10.419 4.414 1.00 0.36 C ATOM 561 CG PHE A 55 -10.192 11.629 4.605 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.824 11.844 5.820 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.387 12.549 3.585 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.630 12.949 6.014 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.195 13.655 3.773 1.00 0.93 C ATOM 566 CZ PHE A 55 -11.818 13.862 4.927 1.00 0.86 C ATOM 0 H PHE A 55 -7.283 10.861 6.067 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.885 9.473 6.258 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.383 10.735 3.937 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.805 9.733 3.727 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.684 11.138 6.626 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -9.901 12.399 2.632 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.109 13.121 6.967 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -11.322 14.363 2.967 1.00 0.93 H new ATOM 0 HZ PHE A 55 -12.466 14.718 5.046 1.00 0.86 H new ATOM 576 N ALA A 56 -7.136 8.078 5.909 1.00 0.25 N ATOM 577 CA ALA A 56 -6.398 6.851 5.621 1.00 0.25 C ATOM 578 C ALA A 56 -6.723 5.768 6.638 1.00 0.26 C ATOM 579 O ALA A 56 -6.156 4.676 6.608 1.00 0.28 O ATOM 580 CB ALA A 56 -4.905 7.128 5.610 1.00 0.28 C ATOM 0 H ALA A 56 -6.668 8.710 6.559 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.701 6.495 4.636 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.365 6.206 5.394 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.678 7.869 4.844 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.598 7.508 6.584 1.00 0.28 H new ATOM 586 N TRP A 57 -7.672 6.071 7.511 1.00 0.30 N ATOM 587 CA TRP A 57 -8.011 5.194 8.630 1.00 0.34 C ATOM 588 C TRP A 57 -8.577 3.816 8.208 1.00 0.35 C ATOM 589 O TRP A 57 -8.277 2.823 8.873 1.00 0.40 O ATOM 590 CB TRP A 57 -8.964 5.899 9.611 1.00 0.37 C ATOM 591 CG TRP A 57 -10.315 6.230 9.051 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.652 7.329 8.318 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.514 5.457 9.185 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.983 7.289 7.990 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.535 6.149 8.508 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.822 4.246 9.811 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.838 5.670 8.438 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.118 3.772 9.739 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.112 4.483 9.056 1.00 0.58 C ATOM 0 H TRP A 57 -8.228 6.925 7.468 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.067 4.983 9.132 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.096 5.264 10.487 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.493 6.820 9.953 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.969 8.117 8.036 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.481 7.995 7.448 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.062 3.691 10.341 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.607 6.217 7.913 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.368 2.837 10.218 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.115 4.085 9.017 1.00 0.58 H new ATOM 610 N PRO A 58 -9.383 3.684 7.122 1.00 0.34 N ATOM 611 CA PRO A 58 -9.933 2.385 6.754 1.00 0.40 C ATOM 612 C PRO A 58 -8.924 1.521 6.003 1.00 0.36 C ATOM 613 O PRO A 58 -9.142 0.330 5.797 1.00 0.45 O ATOM 614 CB PRO A 58 -11.135 2.719 5.869 1.00 0.47 C ATOM 615 CG PRO A 58 -10.970 4.136 5.424 1.00 0.40 C ATOM 616 CD PRO A 58 -9.816 4.740 6.183 1.00 0.32 C ATOM 0 HA PRO A 58 -10.205 1.801 7.634 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.180 2.048 5.011 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.067 2.594 6.421 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -10.782 4.177 4.351 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -11.884 4.701 5.609 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.007 5.026 5.510 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.122 5.641 6.715 1.00 0.32 H new ATOM 624 N PHE A 59 -7.804 2.126 5.627 1.00 0.31 N ATOM 625 CA PHE A 59 -6.761 1.426 4.891 1.00 0.31 C ATOM 626 C PHE A 59 -5.657 0.968 5.841 1.00 0.31 C ATOM 627 O PHE A 59 -4.601 0.505 5.412 1.00 0.52 O ATOM 628 CB PHE A 59 -6.178 2.336 3.803 1.00 0.36 C ATOM 629 CG PHE A 59 -6.599 1.970 2.406 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.514 0.660 1.959 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.073 2.939 1.535 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.893 0.326 0.672 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.453 2.611 0.248 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.364 1.302 -0.184 1.00 0.95 C ATOM 0 H PHE A 59 -7.595 3.105 5.821 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.200 0.548 4.417 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.479 3.364 4.004 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.090 2.305 3.863 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.148 -0.108 2.624 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.146 3.964 1.867 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.821 -0.698 0.336 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.819 3.377 -0.420 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.662 1.042 -1.189 1.00 0.95 H new ATOM 644 N TYR A 60 -5.917 1.106 7.139 1.00 0.35 N ATOM 645 CA TYR A 60 -4.954 0.736 8.176 1.00 0.39 C ATOM 646 C TYR A 60 -4.797 -0.774 8.273 1.00 0.45 C ATOM 647 O TYR A 60 -3.703 -1.283 8.514 1.00 0.63 O ATOM 648 CB TYR A 60 -5.415 1.263 9.537 1.00 0.46 C ATOM 649 CG TYR A 60 -5.021 2.692 9.839 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.310 3.431 8.904 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.354 3.303 11.043 1.00 0.49 C ATOM 652 CE1 TYR A 60 -3.938 4.736 9.155 1.00 0.31 C ATOM 653 CE2 TYR A 60 -4.985 4.608 11.300 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.319 5.314 10.436 1.00 0.45 C ATOM 655 OH TYR A 60 -3.911 6.622 10.606 1.00 0.58 O ATOM 0 H TYR A 60 -6.796 1.475 7.501 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.996 1.178 7.903 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.501 1.183 9.592 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.008 0.618 10.316 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.043 2.976 7.962 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.908 2.749 11.786 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.383 5.309 8.426 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.257 5.054 12.245 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.661 7.002 9.738 1.00 0.58 H new ATOM 665 N GLN A 61 -5.901 -1.482 8.100 1.00 0.46 N ATOM 666 CA GLN A 61 -5.924 -2.917 8.325 1.00 0.55 C ATOM 667 C GLN A 61 -5.872 -3.672 7.007 1.00 0.56 C ATOM 668 O GLN A 61 -6.582 -3.322 6.065 1.00 0.57 O ATOM 669 CB GLN A 61 -7.181 -3.313 9.101 1.00 0.65 C ATOM 670 CG GLN A 61 -7.674 -2.240 10.060 1.00 0.71 C ATOM 671 CD GLN A 61 -9.168 -2.317 10.299 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.642 -3.148 11.074 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.921 -1.450 9.637 1.00 1.63 N ATOM 0 H GLN A 61 -6.793 -1.086 7.804 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.044 -3.182 8.912 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.976 -3.547 8.392 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.977 -4.224 9.664 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.152 -2.340 11.011 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.423 -1.257 9.660 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.488 -0.778 9.004 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.933 -1.455 9.761 1.00 1.63 H new ATOM 682 N PRO A 62 -5.023 -4.711 6.924 1.00 0.63 N ATOM 683 CA PRO A 62 -4.933 -5.565 5.739 1.00 0.68 C ATOM 684 C PRO A 62 -6.268 -6.206 5.393 1.00 0.69 C ATOM 685 O PRO A 62 -7.078 -6.506 6.281 1.00 0.77 O ATOM 686 CB PRO A 62 -3.917 -6.638 6.133 1.00 0.78 C ATOM 687 CG PRO A 62 -3.129 -6.041 7.243 1.00 0.87 C ATOM 688 CD PRO A 62 -4.065 -5.118 7.969 1.00 0.73 C ATOM 0 HA PRO A 62 -4.644 -4.997 4.855 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.415 -7.554 6.452 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.276 -6.901 5.292 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -2.748 -6.814 7.911 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.265 -5.498 6.860 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.564 -5.622 8.797 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.539 -4.260 8.388 1.00 0.73 H new ATOM 696 N VAL A 63 -6.495 -6.415 4.108 1.00 0.66 N ATOM 697 CA VAL A 63 -7.748 -6.980 3.648 1.00 0.69 C ATOM 698 C VAL A 63 -7.890 -8.431 4.077 1.00 0.77 C ATOM 699 O VAL A 63 -7.205 -9.327 3.576 1.00 0.88 O ATOM 700 CB VAL A 63 -7.920 -6.854 2.116 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.898 -7.895 1.580 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.406 -5.459 1.769 1.00 0.75 C ATOM 0 H VAL A 63 -5.828 -6.202 3.367 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.541 -6.399 4.118 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.951 -7.031 1.648 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.997 -7.780 0.501 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.526 -8.894 1.806 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.871 -7.756 2.050 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.526 -5.374 0.689 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.364 -5.276 2.256 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.678 -4.724 2.112 1.00 0.75 H new ATOM 712 N ASP A 64 -8.756 -8.636 5.049 1.00 0.79 N ATOM 713 CA ASP A 64 -9.195 -9.965 5.412 1.00 0.93 C ATOM 714 C ASP A 64 -10.676 -10.071 5.106 1.00 1.00 C ATOM 715 O ASP A 64 -11.462 -9.203 5.503 1.00 1.51 O ATOM 716 CB ASP A 64 -8.933 -10.268 6.889 1.00 1.02 C ATOM 717 CG ASP A 64 -9.529 -11.597 7.306 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.974 -12.644 6.920 1.00 1.42 O ATOM 719 OD2 ASP A 64 -10.542 -11.601 8.034 1.00 1.85 O ATOM 0 H ASP A 64 -9.172 -7.890 5.606 1.00 0.79 H new ATOM 0 HA ASP A 64 -8.630 -10.698 4.836 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.859 -10.278 7.073 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -9.354 -9.472 7.503 1.00 1.02 H new ATOM 724 N ALA A 65 -11.058 -11.124 4.406 1.00 0.94 N ATOM 725 CA ALA A 65 -12.413 -11.255 3.893 1.00 0.94 C ATOM 726 C ALA A 65 -13.431 -11.522 5.005 1.00 1.03 C ATOM 727 O ALA A 65 -14.629 -11.610 4.746 1.00 1.29 O ATOM 728 CB ALA A 65 -12.467 -12.355 2.845 1.00 0.96 C ATOM 0 H ALA A 65 -10.445 -11.907 4.178 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.685 -10.304 3.435 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.485 -12.447 2.466 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.795 -12.108 2.023 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -12.160 -13.300 3.293 1.00 0.96 H new ATOM 734 N ILE A 66 -12.959 -11.641 6.241 1.00 1.03 N ATOM 735 CA ILE A 66 -13.844 -11.903 7.369 1.00 1.14 C ATOM 736 C ILE A 66 -13.875 -10.714 8.329 1.00 1.13 C ATOM 737 O ILE A 66 -14.946 -10.215 8.670 1.00 1.19 O ATOM 738 CB ILE A 66 -13.428 -13.174 8.142 1.00 1.24 C ATOM 739 CG1 ILE A 66 -13.095 -14.312 7.171 1.00 1.35 C ATOM 740 CG2 ILE A 66 -14.536 -13.593 9.098 1.00 1.37 C ATOM 741 CD1 ILE A 66 -12.323 -15.447 7.809 1.00 1.89 C ATOM 0 H ILE A 66 -11.972 -11.561 6.486 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.841 -12.060 6.956 1.00 1.14 H new ATOM 0 HB ILE A 66 -12.533 -12.950 8.723 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -14.022 -14.704 6.753 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.515 -13.911 6.340 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -14.231 -14.490 9.637 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -14.726 -12.789 9.809 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -15.445 -13.800 8.533 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -12.123 -16.216 7.063 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -11.379 -15.069 8.203 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -12.910 -15.875 8.622 1.00 1.89 H new ATOM 753 N LYS A 67 -12.698 -10.260 8.749 1.00 1.10 N ATOM 754 CA LYS A 67 -12.582 -9.139 9.683 1.00 1.15 C ATOM 755 C LYS A 67 -13.226 -7.877 9.114 1.00 1.13 C ATOM 756 O LYS A 67 -14.046 -7.234 9.770 1.00 1.27 O ATOM 757 CB LYS A 67 -11.109 -8.871 10.011 1.00 1.21 C ATOM 758 CG LYS A 67 -10.900 -7.781 11.051 1.00 1.50 C ATOM 759 CD LYS A 67 -9.517 -7.869 11.680 1.00 1.90 C ATOM 760 CE LYS A 67 -9.495 -7.276 13.083 1.00 2.46 C ATOM 761 NZ LYS A 67 -10.673 -7.688 13.887 1.00 2.99 N ATOM 0 H LYS A 67 -11.803 -10.653 8.456 1.00 1.10 H new ATOM 0 HA LYS A 67 -13.110 -9.409 10.597 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -10.652 -9.794 10.369 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.588 -8.591 9.096 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -11.028 -6.803 10.586 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -11.660 -7.867 11.827 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -9.202 -8.912 11.721 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -8.798 -7.343 11.052 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.583 -7.588 13.593 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -9.467 -6.188 13.015 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -10.448 -7.608 14.899 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -11.480 -7.071 13.662 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -10.918 -8.674 13.664 1.00 2.99 H new ATOM 775 N LEU A 68 -12.853 -7.529 7.891 1.00 1.02 N ATOM 776 CA LEU A 68 -13.408 -6.353 7.231 1.00 1.03 C ATOM 777 C LEU A 68 -14.638 -6.734 6.420 1.00 1.05 C ATOM 778 O LEU A 68 -15.353 -5.869 5.914 1.00 1.10 O ATOM 779 CB LEU A 68 -12.362 -5.708 6.319 1.00 1.02 C ATOM 780 CG LEU A 68 -11.778 -4.391 6.835 1.00 1.07 C ATOM 781 CD1 LEU A 68 -10.262 -4.475 6.922 1.00 1.61 C ATOM 782 CD2 LEU A 68 -12.200 -3.236 5.941 1.00 1.66 C ATOM 0 H LEU A 68 -12.169 -8.043 7.335 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.698 -5.634 7.997 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.547 -6.416 6.169 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.813 -5.530 5.343 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.168 -4.211 7.837 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -9.866 -3.529 7.291 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -9.981 -5.277 7.604 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -9.852 -4.679 5.933 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.776 -2.307 6.322 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -11.840 -3.410 4.927 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -13.287 -3.162 5.932 1.00 1.66 H new ATOM 794 N ASN A 69 -14.875 -8.041 6.327 1.00 1.06 N ATOM 795 CA ASN A 69 -15.969 -8.593 5.534 1.00 1.12 C ATOM 796 C ASN A 69 -15.869 -8.133 4.088 1.00 1.09 C ATOM 797 O ASN A 69 -16.735 -7.418 3.581 1.00 1.15 O ATOM 798 CB ASN A 69 -17.328 -8.224 6.129 1.00 1.24 C ATOM 799 CG ASN A 69 -18.412 -9.210 5.734 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.009 -9.105 4.663 1.00 1.74 O ATOM 801 ND2 ASN A 69 -18.676 -10.175 6.600 1.00 1.55 N ATOM 0 H ASN A 69 -14.312 -8.748 6.801 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.882 -9.679 5.556 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.250 -8.188 7.216 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.609 -7.225 5.797 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -19.397 -10.866 6.390 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -18.159 -10.228 7.478 1.00 1.55 H new ATOM 808 N LEU A 70 -14.788 -8.536 3.433 1.00 1.04 N ATOM 809 CA LEU A 70 -14.563 -8.209 2.029 1.00 1.01 C ATOM 810 C LEU A 70 -14.587 -9.490 1.187 1.00 0.99 C ATOM 811 O LEU A 70 -13.548 -9.939 0.706 1.00 0.95 O ATOM 812 CB LEU A 70 -13.212 -7.484 1.861 1.00 1.01 C ATOM 813 CG LEU A 70 -13.270 -5.953 1.778 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.429 -5.391 2.585 1.00 1.61 C ATOM 815 CD2 LEU A 70 -11.963 -5.355 2.266 1.00 1.54 C ATOM 0 H LEU A 70 -14.047 -9.095 3.855 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.357 -7.546 1.687 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.570 -7.758 2.698 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -12.733 -7.858 0.956 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.427 -5.683 0.734 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.437 -4.304 2.502 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.367 -5.791 2.201 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -14.315 -5.674 3.631 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.014 -4.268 2.203 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -11.791 -5.651 3.301 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.143 -5.716 1.645 1.00 1.54 H new ATOM 827 N PRO A 71 -15.775 -10.095 0.993 1.00 1.06 N ATOM 828 CA PRO A 71 -15.897 -11.393 0.322 1.00 1.11 C ATOM 829 C PRO A 71 -15.780 -11.292 -1.198 1.00 1.05 C ATOM 830 O PRO A 71 -14.987 -12.000 -1.817 1.00 1.09 O ATOM 831 CB PRO A 71 -17.295 -11.864 0.730 1.00 1.28 C ATOM 832 CG PRO A 71 -18.076 -10.622 0.997 1.00 1.30 C ATOM 833 CD PRO A 71 -17.089 -9.561 1.409 1.00 1.18 C ATOM 0 HA PRO A 71 -15.097 -12.076 0.609 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.756 -12.454 -0.062 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.252 -12.498 1.616 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.625 -10.313 0.108 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.812 -10.791 1.783 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.303 -8.610 0.922 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.123 -9.384 2.484 1.00 1.18 H new ATOM 841 N ASP A 72 -16.561 -10.393 -1.791 1.00 1.04 N ATOM 842 CA ASP A 72 -16.577 -10.219 -3.241 1.00 1.07 C ATOM 843 C ASP A 72 -15.304 -9.531 -3.710 1.00 0.94 C ATOM 844 O ASP A 72 -14.991 -9.504 -4.902 1.00 0.95 O ATOM 845 CB ASP A 72 -17.794 -9.402 -3.665 1.00 1.24 C ATOM 846 CG ASP A 72 -18.653 -10.127 -4.679 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.144 -11.235 -4.369 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.851 -9.593 -5.787 1.00 1.97 O ATOM 0 H ASP A 72 -17.194 -9.771 -1.287 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.634 -11.205 -3.703 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.395 -9.167 -2.786 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.462 -8.453 -4.087 1.00 1.24 H new ATOM 853 N TYR A 73 -14.572 -8.985 -2.747 1.00 0.87 N ATOM 854 CA TYR A 73 -13.307 -8.312 -3.001 1.00 0.79 C ATOM 855 C TYR A 73 -12.313 -9.256 -3.663 1.00 0.74 C ATOM 856 O TYR A 73 -11.598 -8.873 -4.587 1.00 0.73 O ATOM 857 CB TYR A 73 -12.734 -7.815 -1.675 1.00 0.78 C ATOM 858 CG TYR A 73 -12.196 -6.404 -1.707 1.00 0.73 C ATOM 859 CD1 TYR A 73 -13.004 -5.336 -2.069 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.880 -6.140 -1.353 1.00 0.80 C ATOM 861 CE1 TYR A 73 -12.515 -4.044 -2.082 1.00 0.97 C ATOM 862 CE2 TYR A 73 -10.384 -4.852 -1.359 1.00 0.90 C ATOM 863 CZ TYR A 73 -11.206 -3.807 -1.724 1.00 0.94 C ATOM 864 OH TYR A 73 -10.717 -2.521 -1.730 1.00 1.13 O ATOM 0 H TYR A 73 -14.842 -8.997 -1.763 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.483 -7.473 -3.674 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.512 -7.875 -0.914 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.933 -8.487 -1.366 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -14.032 -5.518 -2.345 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -10.233 -6.956 -1.068 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -13.156 -3.224 -2.371 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -9.358 -4.664 -1.079 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.271 -2.337 -0.877 1.00 1.13 H new ATOM 874 N HIS A 74 -12.307 -10.504 -3.201 1.00 0.79 N ATOM 875 CA HIS A 74 -11.342 -11.504 -3.658 1.00 0.80 C ATOM 876 C HIS A 74 -11.681 -12.021 -5.054 1.00 0.85 C ATOM 877 O HIS A 74 -10.953 -12.842 -5.616 1.00 0.91 O ATOM 878 CB HIS A 74 -11.302 -12.681 -2.678 1.00 0.89 C ATOM 879 CG HIS A 74 -10.534 -12.409 -1.417 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.833 -11.241 -1.233 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.396 -13.183 -0.312 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.290 -11.327 -0.032 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.602 -12.485 0.564 1.00 0.82 N ATOM 0 H HIS A 74 -12.966 -10.850 -2.504 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.366 -11.021 -3.701 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.324 -12.955 -2.415 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.860 -13.542 -3.180 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -10.827 -14.160 -0.152 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.673 -10.561 0.413 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.306 -12.790 1.491 1.00 0.82 H new ATOM 891 N LYS A 75 -12.786 -11.547 -5.610 1.00 0.89 N ATOM 892 CA LYS A 75 -13.242 -12.009 -6.910 1.00 0.97 C ATOM 893 C LYS A 75 -12.957 -10.963 -7.975 1.00 0.92 C ATOM 894 O LYS A 75 -12.324 -11.248 -8.993 1.00 1.11 O ATOM 895 CB LYS A 75 -14.739 -12.316 -6.872 1.00 1.09 C ATOM 896 CG LYS A 75 -15.185 -13.025 -5.604 1.00 1.20 C ATOM 897 CD LYS A 75 -15.965 -14.292 -5.909 1.00 1.68 C ATOM 898 CE LYS A 75 -15.733 -15.356 -4.850 1.00 2.05 C ATOM 899 NZ LYS A 75 -16.981 -16.092 -4.520 1.00 2.86 N ATOM 0 H LYS A 75 -13.384 -10.841 -5.179 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.700 -12.922 -7.158 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.295 -11.384 -6.971 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.996 -12.933 -7.733 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.312 -13.272 -5.000 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.803 -12.352 -5.010 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.029 -14.061 -5.967 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.669 -14.677 -6.885 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -14.979 -16.060 -5.202 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.337 -14.890 -3.948 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -16.780 -16.809 -3.794 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.693 -15.425 -4.160 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -17.345 -16.559 -5.375 1.00 2.86 H new ATOM 913 N ILE A 76 -13.423 -9.745 -7.726 1.00 0.78 N ATOM 914 CA ILE A 76 -13.268 -8.660 -8.686 1.00 0.77 C ATOM 915 C ILE A 76 -11.838 -8.118 -8.665 1.00 0.69 C ATOM 916 O ILE A 76 -11.263 -7.807 -9.712 1.00 0.78 O ATOM 917 CB ILE A 76 -14.286 -7.521 -8.413 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.678 -7.928 -8.909 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.854 -6.218 -9.079 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.558 -8.522 -7.833 1.00 1.00 C ATOM 0 H ILE A 76 -13.911 -9.485 -6.869 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.470 -9.062 -9.679 1.00 0.77 H new ATOM 0 HB ILE A 76 -14.322 -7.354 -7.337 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -16.174 -7.053 -9.330 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.569 -8.652 -9.717 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.589 -5.441 -8.868 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.883 -5.915 -8.689 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.782 -6.367 -10.156 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.526 -8.785 -8.259 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -16.084 -9.416 -7.428 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.699 -7.793 -7.035 1.00 1.00 H new ATOM 932 N ILE A 77 -11.259 -8.030 -7.478 1.00 0.58 N ATOM 933 CA ILE A 77 -9.898 -7.543 -7.334 1.00 0.53 C ATOM 934 C ILE A 77 -8.926 -8.716 -7.312 1.00 0.64 C ATOM 935 O ILE A 77 -9.077 -9.643 -6.518 1.00 0.75 O ATOM 936 CB ILE A 77 -9.738 -6.695 -6.052 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.720 -5.521 -6.066 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.313 -6.185 -5.910 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.592 -4.639 -7.289 1.00 0.50 C ATOM 0 H ILE A 77 -11.711 -8.290 -6.601 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.674 -6.905 -8.189 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.959 -7.332 -5.195 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.737 -5.908 -6.013 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.562 -4.916 -5.173 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.228 -5.591 -5.000 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.627 -7.031 -5.857 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -8.060 -5.567 -6.771 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.318 -3.829 -7.231 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.586 -4.222 -7.333 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.779 -5.230 -8.185 1.00 0.50 H new ATOM 951 N LYS A 78 -7.937 -8.675 -8.193 1.00 0.74 N ATOM 952 CA LYS A 78 -7.000 -9.780 -8.341 1.00 0.90 C ATOM 953 C LYS A 78 -5.906 -9.719 -7.280 1.00 0.73 C ATOM 954 O LYS A 78 -5.350 -10.747 -6.887 1.00 0.72 O ATOM 955 CB LYS A 78 -6.383 -9.767 -9.743 1.00 1.16 C ATOM 956 CG LYS A 78 -7.003 -10.787 -10.688 1.00 1.45 C ATOM 957 CD LYS A 78 -8.241 -10.239 -11.389 1.00 1.67 C ATOM 958 CE LYS A 78 -9.518 -10.550 -10.616 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.852 -12.000 -10.633 1.00 1.99 N ATOM 0 H LYS A 78 -7.762 -7.887 -8.817 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.550 -10.711 -8.205 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.495 -8.771 -10.172 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.313 -9.961 -9.663 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.266 -11.085 -11.434 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.270 -11.684 -10.129 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -8.143 -9.160 -11.508 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -8.310 -10.665 -12.390 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.405 -10.218 -9.584 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -10.346 -9.984 -11.044 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.836 -12.133 -10.325 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -9.738 -12.371 -11.598 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.215 -12.510 -9.988 1.00 1.99 H new ATOM 973 N ASN A 79 -5.599 -8.516 -6.818 1.00 0.67 N ATOM 974 CA ASN A 79 -4.596 -8.332 -5.777 1.00 0.56 C ATOM 975 C ASN A 79 -5.120 -7.396 -4.692 1.00 0.54 C ATOM 976 O ASN A 79 -4.821 -6.201 -4.696 1.00 0.52 O ATOM 977 CB ASN A 79 -3.299 -7.774 -6.370 1.00 0.60 C ATOM 978 CG ASN A 79 -2.356 -8.863 -6.835 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.767 -9.586 -6.028 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.206 -8.988 -8.143 1.00 1.28 N ATOM 0 H ASN A 79 -6.030 -7.652 -7.147 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.385 -9.304 -5.331 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.539 -7.123 -7.211 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.797 -7.159 -5.623 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.584 -9.704 -8.519 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.712 -8.369 -8.776 1.00 1.28 H new ATOM 987 N PRO A 80 -5.931 -7.924 -3.758 1.00 0.58 N ATOM 988 CA PRO A 80 -6.497 -7.140 -2.655 1.00 0.60 C ATOM 989 C PRO A 80 -5.425 -6.707 -1.656 1.00 0.55 C ATOM 990 O PRO A 80 -5.057 -7.459 -0.755 1.00 0.64 O ATOM 991 CB PRO A 80 -7.498 -8.103 -1.993 1.00 0.70 C ATOM 992 CG PRO A 80 -7.660 -9.236 -2.947 1.00 0.89 C ATOM 993 CD PRO A 80 -6.370 -9.326 -3.704 1.00 0.67 C ATOM 0 HA PRO A 80 -6.957 -6.216 -3.005 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -7.126 -8.453 -1.030 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.452 -7.609 -1.807 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -7.867 -10.166 -2.417 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -8.497 -9.061 -3.622 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -5.644 -9.959 -3.194 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.513 -9.745 -4.700 1.00 0.67 H new ATOM 1001 N MET A 81 -4.921 -5.493 -1.836 1.00 0.46 N ATOM 1002 CA MET A 81 -3.867 -4.957 -0.984 1.00 0.43 C ATOM 1003 C MET A 81 -4.269 -3.608 -0.439 1.00 0.43 C ATOM 1004 O MET A 81 -5.150 -2.935 -0.977 1.00 0.55 O ATOM 1005 CB MET A 81 -2.545 -4.854 -1.752 1.00 0.44 C ATOM 1006 CG MET A 81 -2.110 -6.168 -2.383 1.00 0.74 C ATOM 1007 SD MET A 81 -0.890 -7.054 -1.394 1.00 0.82 S ATOM 1008 CE MET A 81 -1.880 -8.414 -0.779 1.00 0.70 C ATOM 0 H MET A 81 -5.228 -4.856 -2.571 1.00 0.46 H new ATOM 0 HA MET A 81 -3.721 -5.641 -0.148 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.644 -4.100 -2.533 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.765 -4.509 -1.073 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.984 -6.803 -2.526 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.694 -5.970 -3.371 1.00 0.74 H new ATOM 0 HE1 MET A 81 -1.240 -9.121 -0.252 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.639 -8.032 -0.096 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.365 -8.918 -1.615 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.598 -3.224 0.621 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.970 -2.065 1.401 1.00 0.36 C ATOM 1020 C ASP A 82 -2.721 -1.260 1.750 1.00 0.35 C ATOM 1021 O ASP A 82 -1.865 -1.054 0.897 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.704 -2.538 2.661 1.00 0.38 C ATOM 1023 CG ASP A 82 -3.946 -3.644 3.368 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.146 -4.818 3.016 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.170 -3.346 4.300 1.00 1.32 O ATOM 0 H ASP A 82 -2.772 -3.710 0.970 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.635 -1.416 0.832 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.839 -1.697 3.341 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.699 -2.893 2.391 1.00 0.38 H new ATOM 1030 N MET A 83 -2.591 -0.840 2.997 1.00 0.27 N ATOM 1031 CA MET A 83 -1.457 -0.030 3.410 1.00 0.26 C ATOM 1032 C MET A 83 -0.731 -0.707 4.557 1.00 0.25 C ATOM 1033 O MET A 83 0.418 -0.384 4.864 1.00 0.26 O ATOM 1034 CB MET A 83 -1.913 1.370 3.823 1.00 0.31 C ATOM 1035 CG MET A 83 -1.099 2.482 3.183 1.00 0.43 C ATOM 1036 SD MET A 83 -0.670 3.794 4.345 1.00 0.80 S ATOM 1037 CE MET A 83 -2.289 4.255 4.955 1.00 0.38 C ATOM 0 H MET A 83 -3.257 -1.046 3.742 1.00 0.27 H new ATOM 0 HA MET A 83 -0.775 0.070 2.566 1.00 0.26 H new ATOM 0 HB2 MET A 83 -2.962 1.497 3.554 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.848 1.460 4.907 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.185 2.061 2.764 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.664 2.908 2.354 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.368 5.341 4.992 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.055 3.858 4.289 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.431 3.847 5.956 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.391 -1.686 5.156 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.807 -2.398 6.266 1.00 0.29 C ATOM 1049 C GLY A 84 -0.024 -3.574 5.756 1.00 0.26 C ATOM 1050 O GLY A 84 0.993 -3.962 6.325 1.00 0.32 O ATOM 0 H GLY A 84 -2.325 -1.999 4.890 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.156 -1.734 6.835 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.589 -2.736 6.946 1.00 0.29 H new ATOM 1054 N THR A 85 -0.506 -4.130 4.657 1.00 0.24 N ATOM 1055 CA THR A 85 0.186 -5.199 3.971 1.00 0.25 C ATOM 1056 C THR A 85 1.494 -4.696 3.361 1.00 0.26 C ATOM 1057 O THR A 85 2.529 -5.362 3.448 1.00 0.32 O ATOM 1058 CB THR A 85 -0.708 -5.819 2.875 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.904 -6.355 3.459 1.00 0.95 O ATOM 1060 CG2 THR A 85 0.026 -6.920 2.125 1.00 0.84 C ATOM 0 H THR A 85 -1.385 -3.852 4.220 1.00 0.24 H new ATOM 0 HA THR A 85 0.419 -5.970 4.705 1.00 0.25 H new ATOM 0 HB THR A 85 -0.966 -5.030 2.168 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.673 -5.813 3.185 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.628 -7.338 1.360 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.918 -6.507 1.654 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.315 -7.705 2.823 1.00 0.84 H new ATOM 1068 N ILE A 86 1.449 -3.512 2.761 1.00 0.27 N ATOM 1069 CA ILE A 86 2.644 -2.902 2.198 1.00 0.31 C ATOM 1070 C ILE A 86 3.668 -2.638 3.300 1.00 0.29 C ATOM 1071 O ILE A 86 4.849 -2.960 3.160 1.00 0.32 O ATOM 1072 CB ILE A 86 2.304 -1.588 1.458 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.641 -1.905 0.118 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.548 -0.736 1.249 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.890 -0.736 -0.475 1.00 0.97 C ATOM 0 H ILE A 86 0.599 -2.958 2.653 1.00 0.27 H new ATOM 0 HA ILE A 86 3.070 -3.596 1.474 1.00 0.31 H new ATOM 0 HB ILE A 86 1.610 -1.016 2.074 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.405 -2.232 -0.588 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.952 -2.739 0.251 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.277 0.181 0.726 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.985 -0.487 2.216 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.274 -1.291 0.655 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.445 -1.033 -1.425 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.103 -0.423 0.212 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.579 0.093 -0.640 1.00 0.97 H new ATOM 1087 N LYS A 87 3.201 -2.080 4.411 1.00 0.29 N ATOM 1088 CA LYS A 87 4.071 -1.812 5.547 1.00 0.34 C ATOM 1089 C LYS A 87 4.604 -3.120 6.142 1.00 0.34 C ATOM 1090 O LYS A 87 5.728 -3.166 6.641 1.00 0.38 O ATOM 1091 CB LYS A 87 3.336 -0.971 6.608 1.00 0.41 C ATOM 1092 CG LYS A 87 2.754 -1.771 7.767 1.00 0.49 C ATOM 1093 CD LYS A 87 3.323 -1.322 9.105 1.00 0.69 C ATOM 1094 CE LYS A 87 2.616 -2.001 10.270 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.187 -3.344 10.560 1.00 1.15 N ATOM 0 H LYS A 87 2.228 -1.806 4.548 1.00 0.29 H new ATOM 0 HA LYS A 87 4.926 -1.234 5.198 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.029 -0.230 7.008 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.529 -0.423 6.122 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.670 -1.660 7.777 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.964 -2.830 7.619 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.388 -1.549 9.143 1.00 0.69 H new ATOM 0 HD3 LYS A 87 3.224 -0.241 9.199 1.00 0.69 H new ATOM 0 HE2 LYS A 87 2.695 -1.374 11.158 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.555 -2.099 10.043 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 2.748 -3.729 11.421 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.999 -3.981 9.760 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.214 -3.261 10.702 1.00 1.15 H new ATOM 1109 N LYS A 88 3.804 -4.185 6.061 1.00 0.35 N ATOM 1110 CA LYS A 88 4.203 -5.490 6.575 1.00 0.39 C ATOM 1111 C LYS A 88 5.411 -6.024 5.814 1.00 0.41 C ATOM 1112 O LYS A 88 6.357 -6.549 6.403 1.00 0.46 O ATOM 1113 CB LYS A 88 3.037 -6.475 6.461 1.00 0.42 C ATOM 1114 CG LYS A 88 3.071 -7.588 7.490 1.00 0.73 C ATOM 1115 CD LYS A 88 1.711 -8.251 7.632 1.00 1.26 C ATOM 1116 CE LYS A 88 1.838 -9.718 8.011 1.00 1.68 C ATOM 1117 NZ LYS A 88 2.137 -9.891 9.456 1.00 2.46 N ATOM 0 H LYS A 88 2.874 -4.166 5.643 1.00 0.35 H new ATOM 0 HA LYS A 88 4.478 -5.378 7.624 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.100 -5.927 6.563 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.042 -6.915 5.464 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.812 -8.332 7.199 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.384 -7.186 8.453 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.129 -7.728 8.391 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.164 -8.164 6.693 1.00 1.26 H new ATOM 0 HE2 LYS A 88 0.912 -10.238 7.767 1.00 1.68 H new ATOM 0 HE3 LYS A 88 2.628 -10.179 7.419 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 2.216 -10.905 9.675 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 3.034 -9.416 9.684 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 1.371 -9.473 10.022 1.00 2.46 H new ATOM 1131 N ARG A 89 5.376 -5.875 4.501 1.00 0.40 N ATOM 1132 CA ARG A 89 6.458 -6.343 3.650 1.00 0.44 C ATOM 1133 C ARG A 89 7.657 -5.408 3.724 1.00 0.43 C ATOM 1134 O ARG A 89 8.802 -5.836 3.578 1.00 0.48 O ATOM 1135 CB ARG A 89 5.975 -6.464 2.212 1.00 0.47 C ATOM 1136 CG ARG A 89 5.522 -7.867 1.861 1.00 0.68 C ATOM 1137 CD ARG A 89 4.346 -7.854 0.908 1.00 0.64 C ATOM 1138 NE ARG A 89 4.715 -7.373 -0.425 1.00 0.59 N ATOM 1139 CZ ARG A 89 3.985 -7.613 -1.519 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.965 -8.465 -1.462 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.283 -7.019 -2.668 1.00 1.03 N ATOM 0 H ARG A 89 4.607 -5.432 3.999 1.00 0.40 H new ATOM 0 HA ARG A 89 6.772 -7.324 4.006 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.150 -5.770 2.051 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.778 -6.167 1.538 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.350 -8.414 1.410 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.247 -8.399 2.772 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.935 -8.861 0.828 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.558 -7.220 1.315 1.00 0.64 H new ATOM 0 HE ARG A 89 5.571 -6.828 -0.524 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.741 -8.934 -0.584 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.407 -8.649 -2.296 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.073 -6.375 -2.720 1.00 1.03 H new ATOM 0 HH22 ARG A 89 3.722 -7.206 -3.499 1.00 1.03 H new ATOM 1155 N LEU A 90 7.385 -4.130 3.944 1.00 0.40 N ATOM 1156 CA LEU A 90 8.438 -3.133 4.088 1.00 0.41 C ATOM 1157 C LEU A 90 9.279 -3.402 5.330 1.00 0.44 C ATOM 1158 O LEU A 90 10.507 -3.469 5.261 1.00 0.49 O ATOM 1159 CB LEU A 90 7.837 -1.730 4.175 1.00 0.39 C ATOM 1160 CG LEU A 90 7.842 -0.945 2.869 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.874 0.223 2.943 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.246 -0.456 2.547 1.00 0.45 C ATOM 0 H LEU A 90 6.439 -3.757 4.027 1.00 0.40 H new ATOM 0 HA LEU A 90 9.079 -3.198 3.209 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.809 -1.813 4.528 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.387 -1.162 4.925 1.00 0.39 H new ATOM 0 HG LEU A 90 7.516 -1.609 2.068 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.892 0.771 2.001 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.866 -0.150 3.126 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.168 0.888 3.755 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.231 0.103 1.611 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.599 0.191 3.350 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.915 -1.311 2.449 1.00 0.45 H new ATOM 1174 N GLU A 91 8.606 -3.565 6.460 1.00 0.45 N ATOM 1175 CA GLU A 91 9.284 -3.767 7.735 1.00 0.50 C ATOM 1176 C GLU A 91 10.025 -5.105 7.773 1.00 0.54 C ATOM 1177 O GLU A 91 11.063 -5.226 8.420 1.00 0.64 O ATOM 1178 CB GLU A 91 8.285 -3.678 8.897 1.00 0.53 C ATOM 1179 CG GLU A 91 7.287 -4.824 8.945 1.00 0.76 C ATOM 1180 CD GLU A 91 6.153 -4.578 9.917 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.839 -3.399 10.184 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.562 -5.559 10.421 1.00 1.39 O ATOM 0 H GLU A 91 7.588 -3.561 6.521 1.00 0.45 H new ATOM 0 HA GLU A 91 10.023 -2.973 7.843 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.838 -3.652 9.836 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.739 -2.738 8.822 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.876 -4.983 7.948 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.807 -5.740 9.225 1.00 0.76 H new ATOM 1189 N ASN A 92 9.504 -6.106 7.071 1.00 0.51 N ATOM 1190 CA ASN A 92 10.117 -7.431 7.085 1.00 0.57 C ATOM 1191 C ASN A 92 11.108 -7.599 5.939 1.00 0.60 C ATOM 1192 O ASN A 92 11.659 -8.682 5.738 1.00 0.68 O ATOM 1193 CB ASN A 92 9.052 -8.525 7.030 1.00 0.60 C ATOM 1194 CG ASN A 92 9.363 -9.671 7.976 1.00 0.69 C ATOM 1195 OD1 ASN A 92 10.503 -10.126 8.067 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.352 -10.141 8.691 1.00 1.30 N ATOM 0 H ASN A 92 8.668 -6.028 6.491 1.00 0.51 H new ATOM 0 HA ASN A 92 10.666 -7.526 8.022 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.081 -8.099 7.284 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.976 -8.906 6.012 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.504 -10.908 9.346 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.422 -9.736 8.586 1.00 1.30 H new ATOM 1203 N ASN A 93 11.330 -6.518 5.201 1.00 0.58 N ATOM 1204 CA ASN A 93 12.322 -6.488 4.126 1.00 0.62 C ATOM 1205 C ASN A 93 12.012 -7.516 3.039 1.00 0.66 C ATOM 1206 O ASN A 93 12.844 -8.364 2.714 1.00 0.77 O ATOM 1207 CB ASN A 93 13.726 -6.723 4.686 1.00 0.70 C ATOM 1208 CG ASN A 93 14.548 -5.451 4.748 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.456 -4.590 3.878 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.360 -5.325 5.786 1.00 1.22 N ATOM 0 H ASN A 93 10.830 -5.638 5.328 1.00 0.58 H new ATOM 0 HA ASN A 93 12.279 -5.498 3.671 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.648 -7.150 5.686 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.243 -7.456 4.066 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.937 -4.490 5.883 1.00 1.22 H new ATOM 0 HD22 ASN A 93 15.408 -6.063 6.488 1.00 1.22 H new ATOM 1217 N TYR A 94 10.807 -7.448 2.489 1.00 0.61 N ATOM 1218 CA TYR A 94 10.432 -8.310 1.379 1.00 0.67 C ATOM 1219 C TYR A 94 10.948 -7.731 0.068 1.00 0.70 C ATOM 1220 O TYR A 94 11.129 -8.444 -0.920 1.00 0.79 O ATOM 1221 CB TYR A 94 8.917 -8.475 1.315 1.00 0.71 C ATOM 1222 CG TYR A 94 8.453 -9.280 0.129 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.768 -10.625 0.018 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.716 -8.690 -0.882 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.355 -11.366 -1.069 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.297 -9.419 -1.976 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.617 -10.759 -2.066 1.00 0.85 C ATOM 1228 OH TYR A 94 7.200 -11.491 -3.158 1.00 0.96 O ATOM 0 H TYR A 94 10.075 -6.806 2.793 1.00 0.61 H new ATOM 0 HA TYR A 94 10.882 -9.290 1.537 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.572 -8.958 2.230 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.453 -7.489 1.280 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.347 -11.101 0.796 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.464 -7.642 -0.814 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.607 -12.414 -1.140 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.722 -8.944 -2.757 1.00 0.81 H new ATOM 0 HH TYR A 94 6.691 -10.913 -3.764 1.00 0.96 H new ATOM 1238 N TYR A 95 11.194 -6.437 0.072 1.00 0.77 N ATOM 1239 CA TYR A 95 11.579 -5.732 -1.136 1.00 0.88 C ATOM 1240 C TYR A 95 13.069 -5.522 -1.221 1.00 0.75 C ATOM 1241 O TYR A 95 13.808 -5.745 -0.266 1.00 1.04 O ATOM 1242 CB TYR A 95 10.920 -4.363 -1.198 1.00 1.17 C ATOM 1243 CG TYR A 95 9.440 -4.379 -0.980 1.00 0.95 C ATOM 1244 CD1 TYR A 95 8.586 -4.890 -1.942 1.00 0.92 C ATOM 1245 CD2 TYR A 95 8.899 -3.903 0.197 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.227 -4.925 -1.732 1.00 0.96 C ATOM 1247 CE2 TYR A 95 7.547 -3.933 0.418 1.00 1.09 C ATOM 1248 CZ TYR A 95 6.702 -4.368 -0.608 1.00 1.04 C ATOM 1249 OH TYR A 95 5.358 -4.474 -0.324 1.00 1.28 O ATOM 0 H TYR A 95 11.134 -5.848 0.903 1.00 0.77 H new ATOM 0 HA TYR A 95 11.252 -6.357 -1.967 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.378 -3.718 -0.448 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.127 -3.917 -2.171 1.00 1.17 H new ATOM 0 HD1 TYR A 95 8.992 -5.266 -2.869 1.00 0.92 H new ATOM 0 HD2 TYR A 95 9.552 -3.500 0.957 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.579 -5.394 -2.458 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.140 -3.625 1.370 1.00 1.09 H new ATOM 0 HH TYR A 95 4.843 -4.430 -1.157 1.00 1.28 H new ATOM 1259 N TRP A 96 13.481 -5.086 -2.389 1.00 0.72 N ATOM 1260 CA TRP A 96 14.823 -4.616 -2.606 1.00 0.65 C ATOM 1261 C TRP A 96 14.833 -3.101 -2.490 1.00 0.61 C ATOM 1262 O TRP A 96 15.752 -2.501 -1.943 1.00 0.64 O ATOM 1263 CB TRP A 96 15.292 -5.037 -3.995 1.00 0.68 C ATOM 1264 CG TRP A 96 16.773 -5.019 -4.153 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.613 -3.988 -3.864 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.587 -6.078 -4.645 1.00 0.82 C ATOM 1267 NE1 TRP A 96 18.905 -4.347 -4.132 1.00 0.79 N ATOM 1268 CE2 TRP A 96 18.918 -5.624 -4.624 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.315 -7.363 -5.104 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 19.980 -6.420 -5.042 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.368 -8.153 -5.522 1.00 1.03 C ATOM 1272 CH2 TRP A 96 19.688 -7.679 -5.491 1.00 1.05 C ATOM 0 H TRP A 96 12.888 -5.049 -3.218 1.00 0.72 H new ATOM 0 HA TRP A 96 15.496 -5.045 -1.863 1.00 0.65 H new ATOM 0 HB2 TRP A 96 14.924 -6.041 -4.205 1.00 0.68 H new ATOM 0 HB3 TRP A 96 14.847 -4.373 -4.737 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.304 -3.027 -3.479 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.726 -3.759 -3.989 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.301 -7.735 -5.133 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 20.997 -6.058 -5.013 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.172 -9.153 -5.879 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.489 -8.320 -5.828 1.00 1.05 H new ATOM 1283 N SER A 97 13.782 -2.486 -2.992 1.00 0.60 N ATOM 1284 CA SER A 97 13.707 -1.046 -3.030 1.00 0.56 C ATOM 1285 C SER A 97 12.249 -0.596 -3.077 1.00 0.54 C ATOM 1286 O SER A 97 11.346 -1.408 -3.296 1.00 0.55 O ATOM 1287 CB SER A 97 14.503 -0.542 -4.236 1.00 0.58 C ATOM 1288 OG SER A 97 14.174 0.796 -4.564 1.00 1.00 O ATOM 0 H SER A 97 12.969 -2.964 -3.379 1.00 0.60 H new ATOM 0 HA SER A 97 14.143 -0.620 -2.127 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.569 -0.612 -4.022 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.308 -1.185 -5.094 1.00 0.58 H new ATOM 0 HG SER A 97 14.388 0.964 -5.505 1.00 1.00 H new ATOM 1294 N ALA A 98 12.022 0.696 -2.879 1.00 0.54 N ATOM 1295 CA ALA A 98 10.675 1.237 -2.799 1.00 0.56 C ATOM 1296 C ALA A 98 10.000 1.265 -4.162 1.00 0.52 C ATOM 1297 O ALA A 98 8.802 1.525 -4.265 1.00 0.53 O ATOM 1298 CB ALA A 98 10.702 2.625 -2.197 1.00 0.66 C ATOM 0 H ALA A 98 12.760 1.392 -2.770 1.00 0.54 H new ATOM 0 HA ALA A 98 10.091 0.580 -2.154 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.687 3.018 -2.143 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.127 2.578 -1.194 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.312 3.280 -2.819 1.00 0.66 H new ATOM 1304 N SER A 99 10.768 0.994 -5.209 1.00 0.52 N ATOM 1305 CA SER A 99 10.211 0.888 -6.548 1.00 0.54 C ATOM 1306 C SER A 99 9.302 -0.335 -6.637 1.00 0.48 C ATOM 1307 O SER A 99 8.417 -0.409 -7.490 1.00 0.50 O ATOM 1308 CB SER A 99 11.337 0.803 -7.576 1.00 0.62 C ATOM 1309 OG SER A 99 12.596 1.031 -6.962 1.00 0.85 O ATOM 0 H SER A 99 11.776 0.844 -5.156 1.00 0.52 H new ATOM 0 HA SER A 99 9.616 1.776 -6.762 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.330 -0.179 -8.049 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.173 1.538 -8.364 1.00 0.62 H new ATOM 0 HG SER A 99 12.593 1.909 -6.527 1.00 0.85 H new ATOM 1315 N GLU A 100 9.517 -1.284 -5.729 1.00 0.46 N ATOM 1316 CA GLU A 100 8.676 -2.456 -5.621 1.00 0.48 C ATOM 1317 C GLU A 100 7.391 -2.072 -4.898 1.00 0.44 C ATOM 1318 O GLU A 100 6.292 -2.443 -5.306 1.00 0.52 O ATOM 1319 CB GLU A 100 9.422 -3.540 -4.848 1.00 0.56 C ATOM 1320 CG GLU A 100 9.627 -4.831 -5.621 1.00 1.03 C ATOM 1321 CD GLU A 100 10.685 -5.719 -4.993 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.580 -5.189 -4.303 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.625 -6.951 -5.183 1.00 2.37 O ATOM 0 H GLU A 100 10.280 -1.255 -5.052 1.00 0.46 H new ATOM 0 HA GLU A 100 8.428 -2.840 -6.611 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.395 -3.151 -4.548 1.00 0.56 H new ATOM 0 HB3 GLU A 100 8.872 -3.761 -3.933 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.684 -5.375 -5.672 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.915 -4.596 -6.646 1.00 1.03 H new ATOM 1330 N CYS A 101 7.554 -1.277 -3.842 1.00 0.41 N ATOM 1331 CA CYS A 101 6.434 -0.773 -3.057 1.00 0.44 C ATOM 1332 C CYS A 101 5.526 0.091 -3.914 1.00 0.38 C ATOM 1333 O CYS A 101 4.313 0.111 -3.732 1.00 0.38 O ATOM 1334 CB CYS A 101 6.946 0.063 -1.890 1.00 0.57 C ATOM 1335 SG CYS A 101 8.235 -0.738 -0.915 1.00 0.95 S ATOM 0 H CYS A 101 8.466 -0.966 -3.509 1.00 0.41 H new ATOM 0 HA CYS A 101 5.872 -1.629 -2.683 1.00 0.44 H new ATOM 0 HB2 CYS A 101 7.332 1.007 -2.276 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.108 0.304 -1.236 1.00 0.57 H new ATOM 0 HG CYS A 101 7.861 -1.945 -0.609 1.00 0.95 H new ATOM 1341 N MET A 102 6.134 0.816 -4.842 1.00 0.39 N ATOM 1342 CA MET A 102 5.398 1.692 -5.738 1.00 0.44 C ATOM 1343 C MET A 102 4.365 0.902 -6.530 1.00 0.36 C ATOM 1344 O MET A 102 3.268 1.389 -6.800 1.00 0.39 O ATOM 1345 CB MET A 102 6.359 2.400 -6.694 1.00 0.58 C ATOM 1346 CG MET A 102 6.031 3.867 -6.918 1.00 0.75 C ATOM 1347 SD MET A 102 7.402 4.776 -7.655 1.00 1.02 S ATOM 1348 CE MET A 102 8.086 5.585 -6.210 1.00 1.13 C ATOM 0 H MET A 102 7.143 0.813 -4.993 1.00 0.39 H new ATOM 0 HA MET A 102 4.880 2.440 -5.138 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.373 2.320 -6.301 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.348 1.884 -7.654 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.157 3.946 -7.565 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.765 4.326 -5.966 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.852 6.296 -6.519 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.294 6.113 -5.680 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.529 4.839 -5.550 1.00 1.13 H new ATOM 1358 N GLN A 103 4.718 -0.332 -6.875 1.00 0.34 N ATOM 1359 CA GLN A 103 3.818 -1.201 -7.620 1.00 0.36 C ATOM 1360 C GLN A 103 2.663 -1.641 -6.734 1.00 0.30 C ATOM 1361 O GLN A 103 1.508 -1.675 -7.166 1.00 0.31 O ATOM 1362 CB GLN A 103 4.567 -2.425 -8.145 1.00 0.43 C ATOM 1363 CG GLN A 103 4.719 -2.442 -9.658 1.00 1.36 C ATOM 1364 CD GLN A 103 3.466 -2.923 -10.365 1.00 2.17 C ATOM 1365 OE1 GLN A 103 2.983 -4.028 -10.121 1.00 2.70 O ATOM 1366 NE2 GLN A 103 2.932 -2.097 -11.248 1.00 2.96 N ATOM 0 H GLN A 103 5.620 -0.751 -6.650 1.00 0.34 H new ATOM 0 HA GLN A 103 3.424 -0.643 -8.469 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.556 -2.459 -7.688 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.040 -3.326 -7.831 1.00 0.43 H new ATOM 0 HG2 GLN A 103 4.966 -1.439 -10.006 1.00 1.36 H new ATOM 0 HG3 GLN A 103 5.555 -3.088 -9.928 1.00 1.36 H new ATOM 0 HE21 GLN A 103 3.362 -1.189 -11.422 1.00 2.96 H new ATOM 0 HE22 GLN A 103 2.089 -2.368 -11.755 1.00 2.96 H new ATOM 1375 N ASP A 104 2.982 -1.959 -5.488 1.00 0.30 N ATOM 1376 CA ASP A 104 1.981 -2.396 -4.524 1.00 0.32 C ATOM 1377 C ASP A 104 1.057 -1.246 -4.159 1.00 0.29 C ATOM 1378 O ASP A 104 -0.157 -1.414 -4.091 1.00 0.31 O ATOM 1379 CB ASP A 104 2.648 -2.943 -3.262 1.00 0.48 C ATOM 1380 CG ASP A 104 3.498 -4.165 -3.532 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.078 -5.005 -4.352 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.584 -4.290 -2.929 1.00 1.09 O ATOM 0 H ASP A 104 3.932 -1.922 -5.119 1.00 0.30 H new ATOM 0 HA ASP A 104 1.394 -3.191 -4.984 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.269 -2.165 -2.818 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.880 -3.194 -2.530 1.00 0.48 H new ATOM 1387 N PHE A 105 1.645 -0.074 -3.932 1.00 0.30 N ATOM 1388 CA PHE A 105 0.883 1.138 -3.647 1.00 0.33 C ATOM 1389 C PHE A 105 -0.073 1.435 -4.793 1.00 0.32 C ATOM 1390 O PHE A 105 -1.249 1.730 -4.577 1.00 0.38 O ATOM 1391 CB PHE A 105 1.826 2.326 -3.446 1.00 0.38 C ATOM 1392 CG PHE A 105 1.902 2.815 -2.028 1.00 0.32 C ATOM 1393 CD1 PHE A 105 0.924 3.655 -1.518 1.00 0.36 C ATOM 1394 CD2 PHE A 105 2.943 2.426 -1.199 1.00 0.32 C ATOM 1395 CE1 PHE A 105 0.984 4.097 -0.211 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.008 2.866 0.108 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.056 3.740 0.589 1.00 0.33 C ATOM 0 H PHE A 105 2.656 0.062 -3.940 1.00 0.30 H new ATOM 0 HA PHE A 105 0.312 0.980 -2.732 1.00 0.33 H new ATOM 0 HB2 PHE A 105 2.826 2.043 -3.775 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.501 3.147 -4.085 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.106 3.967 -2.150 1.00 0.36 H new ATOM 0 HD2 PHE A 105 3.712 1.771 -1.580 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.196 4.720 0.186 1.00 0.35 H new ATOM 0 HE2 PHE A 105 3.804 2.526 0.754 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.146 4.145 1.586 1.00 0.33 H new ATOM 1407 N ASN A 106 0.446 1.345 -6.015 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.364 1.522 -7.214 1.00 0.34 C ATOM 1409 C ASN A 106 -1.525 0.534 -7.210 1.00 0.32 C ATOM 1410 O ASN A 106 -2.667 0.904 -7.472 1.00 0.38 O ATOM 1411 CB ASN A 106 0.497 1.325 -8.470 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.324 1.266 -9.747 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.851 2.279 -10.210 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.428 0.081 -10.332 1.00 0.97 N ATOM 0 H ASN A 106 1.430 1.149 -6.200 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.765 2.536 -7.222 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.215 2.141 -8.543 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.071 0.404 -8.370 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.959 -0.016 -11.197 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.023 -0.734 -9.917 1.00 0.97 H new ATOM 1421 N THR A 107 -1.223 -0.718 -6.880 1.00 0.29 N ATOM 1422 CA THR A 107 -2.225 -1.774 -6.819 1.00 0.30 C ATOM 1423 C THR A 107 -3.254 -1.508 -5.718 1.00 0.26 C ATOM 1424 O THR A 107 -4.457 -1.630 -5.943 1.00 0.27 O ATOM 1425 CB THR A 107 -1.556 -3.142 -6.594 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.613 -3.391 -7.647 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.587 -4.260 -6.556 1.00 0.39 C ATOM 0 H THR A 107 -0.279 -1.027 -6.648 1.00 0.29 H new ATOM 0 HA THR A 107 -2.747 -1.786 -7.776 1.00 0.30 H new ATOM 0 HB THR A 107 -1.044 -3.120 -5.632 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.166 -2.808 -7.533 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.084 -5.214 -6.396 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.290 -4.079 -5.743 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.127 -4.289 -7.502 1.00 0.39 H new ATOM 1435 N MET A 108 -2.774 -1.134 -4.538 1.00 0.26 N ATOM 1436 CA MET A 108 -3.645 -0.812 -3.412 1.00 0.26 C ATOM 1437 C MET A 108 -4.636 0.285 -3.794 1.00 0.24 C ATOM 1438 O MET A 108 -5.823 0.203 -3.475 1.00 0.27 O ATOM 1439 CB MET A 108 -2.801 -0.373 -2.206 1.00 0.32 C ATOM 1440 CG MET A 108 -3.473 0.662 -1.313 1.00 0.62 C ATOM 1441 SD MET A 108 -2.393 2.057 -0.936 1.00 0.88 S ATOM 1442 CE MET A 108 -3.487 3.074 0.051 1.00 0.83 C ATOM 0 H MET A 108 -1.778 -1.046 -4.334 1.00 0.26 H new ATOM 0 HA MET A 108 -4.211 -1.704 -3.143 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.561 -1.251 -1.607 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.857 0.034 -2.567 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.376 1.028 -1.802 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.785 0.187 -0.383 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.962 3.978 0.361 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.362 3.347 -0.540 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.804 2.517 0.933 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.143 1.295 -4.498 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.969 2.422 -4.888 1.00 0.23 C ATOM 1454 C PHE A 109 -5.934 2.019 -5.994 1.00 0.23 C ATOM 1455 O PHE A 109 -7.137 2.246 -5.890 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.095 3.592 -5.347 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.703 4.527 -4.235 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.668 5.125 -3.441 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.369 4.808 -3.987 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.310 5.988 -2.420 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.006 5.669 -2.969 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.979 6.248 -2.175 1.00 0.22 C ATOM 0 H PHE A 109 -3.174 1.354 -4.809 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.548 2.739 -4.021 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.192 3.198 -5.814 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.630 4.155 -6.112 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.712 4.915 -3.621 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.604 4.349 -4.596 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -5.073 6.457 -1.816 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.963 5.890 -2.794 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.696 6.903 -1.364 1.00 0.22 H new ATOM 1472 N THR A 110 -5.404 1.394 -7.042 1.00 0.22 N ATOM 1473 CA THR A 110 -6.220 0.994 -8.181 1.00 0.26 C ATOM 1474 C THR A 110 -7.319 0.035 -7.755 1.00 0.25 C ATOM 1475 O THR A 110 -8.427 0.093 -8.268 1.00 0.27 O ATOM 1476 CB THR A 110 -5.378 0.337 -9.291 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.406 -0.551 -8.728 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.679 1.393 -10.127 1.00 0.66 C ATOM 0 H THR A 110 -4.416 1.155 -7.125 1.00 0.22 H new ATOM 0 HA THR A 110 -6.666 1.906 -8.578 1.00 0.26 H new ATOM 0 HB THR A 110 -6.052 -0.234 -9.930 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.608 -0.043 -8.471 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.089 0.909 -10.906 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.423 2.044 -10.587 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.022 1.985 -9.490 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.004 -0.826 -6.796 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.964 -1.788 -6.261 1.00 0.27 C ATOM 1488 C ASN A 111 -9.247 -1.082 -5.819 1.00 0.26 C ATOM 1489 O ASN A 111 -10.356 -1.537 -6.108 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.327 -2.552 -5.087 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.270 -2.776 -3.918 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.231 -3.531 -4.018 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.994 -2.122 -2.799 1.00 1.61 N ATOM 0 H ASN A 111 -6.080 -0.879 -6.367 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.229 -2.499 -7.043 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.971 -3.518 -5.445 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.454 -2.000 -4.737 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.591 -2.238 -1.980 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -7.185 -1.503 -2.757 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.083 0.054 -5.156 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.211 0.824 -4.660 1.00 0.30 C ATOM 1502 C CYS A 112 -10.930 1.539 -5.807 1.00 0.31 C ATOM 1503 O CYS A 112 -12.122 1.809 -5.731 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.725 1.820 -3.599 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.070 3.558 -3.967 1.00 0.63 S ATOM 0 H CYS A 112 -8.172 0.464 -4.949 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.931 0.147 -4.199 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -10.189 1.567 -2.645 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.649 1.697 -3.473 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.435 4.168 -2.879 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.202 1.831 -6.874 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.776 2.519 -8.026 1.00 0.36 C ATOM 1513 C TYR A 113 -11.437 1.530 -8.988 1.00 0.41 C ATOM 1514 O TYR A 113 -12.207 1.922 -9.868 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.701 3.332 -8.745 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.317 4.583 -7.993 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.176 5.672 -7.942 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.108 4.668 -7.319 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.837 6.811 -7.241 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.763 5.803 -6.615 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.629 6.872 -6.579 1.00 0.66 C ATOM 1522 OH TYR A 113 -8.285 8.004 -5.879 1.00 0.81 O ATOM 0 H TYR A 113 -9.212 1.603 -6.969 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.548 3.199 -7.666 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -8.816 2.712 -8.886 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.061 3.605 -9.737 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.123 5.627 -8.458 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.425 3.832 -7.346 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.515 7.651 -7.211 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.818 5.852 -6.095 1.00 0.65 H new ATOM 0 HH TYR A 113 -7.403 7.881 -5.471 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.117 0.251 -8.826 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.694 -0.800 -9.658 1.00 0.43 C ATOM 1534 C ILE A 114 -12.986 -1.324 -9.046 1.00 0.47 C ATOM 1535 O ILE A 114 -14.041 -1.294 -9.683 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.723 -1.989 -9.837 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.450 -1.545 -10.560 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.395 -3.124 -10.602 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.295 -2.511 -10.401 1.00 0.44 C ATOM 0 H ILE A 114 -10.458 -0.085 -8.123 1.00 0.37 H new ATOM 0 HA ILE A 114 -11.893 -0.353 -10.632 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.450 -2.353 -8.846 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.668 -1.424 -11.621 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.150 -0.567 -10.183 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.694 -3.951 -10.717 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.271 -3.465 -10.051 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.701 -2.768 -11.586 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.427 -2.132 -10.940 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.050 -2.614 -9.344 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.576 -3.484 -10.805 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.888 -1.809 -7.811 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.030 -2.403 -7.128 1.00 0.51 C ATOM 1553 C TYR A 115 -15.080 -1.346 -6.825 1.00 0.52 C ATOM 1554 O TYR A 115 -16.258 -1.507 -7.152 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.585 -3.081 -5.827 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.670 -3.908 -5.172 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -15.575 -3.330 -4.293 1.00 0.87 C ATOM 1558 CD2 TYR A 115 -14.787 -5.270 -5.429 1.00 0.77 C ATOM 1559 CE1 TYR A 115 -16.565 -4.083 -3.690 1.00 1.03 C ATOM 1560 CE2 TYR A 115 -15.772 -6.028 -4.830 1.00 0.94 C ATOM 1561 CZ TYR A 115 -16.672 -5.423 -3.977 1.00 1.04 C ATOM 1562 OH TYR A 115 -17.641 -6.184 -3.365 1.00 1.22 O ATOM 0 H TYR A 115 -12.027 -1.801 -7.263 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.466 -3.154 -7.787 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.728 -3.721 -6.036 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.249 -2.317 -5.126 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -15.505 -2.274 -4.076 1.00 0.87 H new ATOM 0 HD2 TYR A 115 -14.094 -5.743 -6.110 1.00 0.77 H new ATOM 0 HE1 TYR A 115 -17.251 -3.620 -2.996 1.00 1.03 H new ATOM 0 HE2 TYR A 115 -15.838 -7.088 -5.027 1.00 0.94 H new ATOM 0 HH TYR A 115 -18.322 -6.437 -4.023 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.640 -0.266 -6.202 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.530 0.813 -5.811 1.00 0.41 C ATOM 1574 C ASN A 116 -15.844 1.708 -6.999 1.00 0.45 C ATOM 1575 O ASN A 116 -15.322 1.512 -8.096 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.896 1.641 -4.694 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.751 0.863 -3.405 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -13.673 0.366 -3.077 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -15.838 0.753 -2.667 1.00 0.88 N ATOM 0 H ASN A 116 -13.662 -0.113 -5.954 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.460 0.374 -5.449 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -13.915 1.989 -5.017 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.505 2.527 -4.513 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -15.806 0.240 -1.786 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -16.710 1.181 -2.977 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.708 2.682 -6.776 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.060 3.638 -7.812 1.00 0.53 C ATOM 1588 C LYS A 117 -16.300 4.936 -7.579 1.00 0.52 C ATOM 1589 O LYS A 117 -15.948 5.247 -6.443 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.571 3.909 -7.811 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.408 2.754 -7.281 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.186 3.152 -6.035 1.00 1.82 C ATOM 1593 CE LYS A 117 -20.971 1.979 -5.470 1.00 2.62 C ATOM 1594 NZ LYS A 117 -20.282 1.352 -4.311 1.00 3.47 N ATOM 0 H LYS A 117 -17.180 2.832 -5.885 1.00 0.48 H new ATOM 0 HA LYS A 117 -16.788 3.222 -8.782 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -18.770 4.795 -7.208 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -18.889 4.138 -8.828 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.102 2.422 -8.053 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -18.759 1.909 -7.051 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -19.497 3.528 -5.279 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.869 3.966 -6.276 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.960 2.319 -5.163 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -21.119 1.233 -6.250 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -20.349 0.317 -4.386 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -19.281 1.635 -4.308 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -20.733 1.665 -3.428 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.039 5.718 -8.638 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.346 7.011 -8.517 1.00 0.68 C ATOM 1610 C PRO A 118 -16.148 8.039 -7.707 1.00 0.70 C ATOM 1611 O PRO A 118 -15.735 9.190 -7.556 1.00 0.81 O ATOM 1612 CB PRO A 118 -15.184 7.472 -9.970 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.208 6.716 -10.741 1.00 0.96 C ATOM 1614 CD PRO A 118 -16.370 5.399 -10.039 1.00 0.68 C ATOM 0 HA PRO A 118 -14.401 6.913 -7.982 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -15.339 8.547 -10.061 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -14.180 7.262 -10.339 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.152 7.260 -10.772 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.890 6.571 -11.773 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -17.385 5.014 -10.135 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -15.702 4.641 -10.447 1.00 0.68 H new ATOM 1622 N THR A 119 -17.291 7.615 -7.196 1.00 0.67 N ATOM 1623 CA THR A 119 -18.129 8.455 -6.360 1.00 0.77 C ATOM 1624 C THR A 119 -18.236 7.875 -4.951 1.00 0.69 C ATOM 1625 O THR A 119 -18.974 8.389 -4.112 1.00 0.78 O ATOM 1626 CB THR A 119 -19.537 8.557 -6.963 1.00 0.97 C ATOM 1627 OG1 THR A 119 -19.803 7.381 -7.742 1.00 0.98 O ATOM 1628 CG2 THR A 119 -19.664 9.792 -7.839 1.00 1.23 C ATOM 0 H THR A 119 -17.664 6.678 -7.349 1.00 0.67 H new ATOM 0 HA THR A 119 -17.674 9.444 -6.309 1.00 0.77 H new ATOM 0 HB THR A 119 -20.261 8.638 -6.152 1.00 0.97 H new ATOM 0 HG1 THR A 119 -20.702 7.441 -8.128 1.00 0.98 H new ATOM 0 HG21 THR A 119 -20.671 9.841 -8.254 1.00 1.23 H new ATOM 0 HG22 THR A 119 -19.474 10.683 -7.241 1.00 1.23 H new ATOM 0 HG23 THR A 119 -18.939 9.738 -8.651 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.489 6.801 -4.702 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.599 6.063 -3.449 1.00 0.59 C ATOM 1638 C ASP A 120 -16.930 6.797 -2.297 1.00 0.47 C ATOM 1639 O ASP A 120 -16.115 7.703 -2.502 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.984 4.668 -3.585 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.865 3.586 -3.002 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -18.444 3.810 -1.915 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -17.982 2.508 -3.623 1.00 1.19 O ATOM 0 H ASP A 120 -16.801 6.424 -5.353 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.663 5.973 -3.228 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.803 4.456 -4.639 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.015 4.651 -3.085 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.265 6.368 -1.091 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.754 6.978 0.132 1.00 0.51 C ATOM 1650 C ASP A 121 -15.244 6.808 0.225 1.00 0.39 C ATOM 1651 O ASP A 121 -14.500 7.781 0.351 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.415 6.334 1.353 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.597 7.123 1.877 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -19.556 7.339 1.109 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.566 7.549 3.051 1.00 1.44 O ATOM 0 H ASP A 121 -17.900 5.586 -0.929 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.989 8.042 0.109 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.745 5.329 1.092 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.675 6.231 2.147 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.802 5.558 0.147 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.382 5.232 0.228 1.00 0.27 C ATOM 1662 C ILE A 122 -12.606 5.856 -0.934 1.00 0.25 C ATOM 1663 O ILE A 122 -11.465 6.283 -0.772 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.162 3.699 0.252 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.677 3.352 0.083 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.999 3.024 -0.825 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.942 3.184 1.397 1.00 0.42 C ATOM 0 H ILE A 122 -15.411 4.748 0.027 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.004 5.650 1.161 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.484 3.326 1.224 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.591 2.431 -0.493 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.192 4.137 -0.497 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.832 1.947 -0.794 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.054 3.233 -0.650 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.711 3.408 -1.804 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.898 2.940 1.201 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.997 4.112 1.966 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.401 2.379 1.971 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.241 5.934 -2.099 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.612 6.533 -3.269 1.00 0.25 C ATOM 1681 C VAL A 123 -12.355 8.021 -3.030 1.00 0.24 C ATOM 1682 O VAL A 123 -11.307 8.554 -3.407 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.474 6.338 -4.538 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.366 7.536 -5.469 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.065 5.064 -5.258 1.00 0.32 C ATOM 0 H VAL A 123 -14.188 5.591 -2.257 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.660 6.027 -3.430 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.516 6.251 -4.230 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.983 7.368 -6.351 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.710 8.431 -4.951 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.328 7.668 -5.773 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.679 4.937 -6.150 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.016 5.130 -5.546 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.207 4.210 -4.596 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.315 8.682 -2.391 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.177 10.087 -2.033 1.00 0.31 C ATOM 1697 C LEU A 124 -11.979 10.276 -1.112 1.00 0.29 C ATOM 1698 O LEU A 124 -11.333 11.326 -1.109 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.447 10.586 -1.346 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.279 11.572 -2.162 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.750 11.464 -1.793 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.776 12.989 -1.949 1.00 0.49 C ATOM 0 H LEU A 124 -14.201 8.263 -2.110 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.020 10.666 -2.943 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.070 9.726 -1.099 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.170 11.060 -0.404 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.174 11.323 -3.218 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.327 12.175 -2.385 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.103 10.453 -1.995 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.877 11.687 -0.734 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.379 13.681 -2.537 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.853 13.248 -0.893 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.735 13.057 -2.264 1.00 0.49 H new ATOM 1714 N MET A 125 -11.680 9.240 -0.342 1.00 0.25 N ATOM 1715 CA MET A 125 -10.548 9.264 0.562 1.00 0.26 C ATOM 1716 C MET A 125 -9.259 8.976 -0.193 1.00 0.24 C ATOM 1717 O MET A 125 -8.279 9.704 -0.056 1.00 0.25 O ATOM 1718 CB MET A 125 -10.737 8.248 1.694 1.00 0.35 C ATOM 1719 CG MET A 125 -12.031 8.436 2.462 1.00 0.62 C ATOM 1720 SD MET A 125 -12.407 7.046 3.542 1.00 0.54 S ATOM 1721 CE MET A 125 -13.149 7.903 4.924 1.00 0.62 C ATOM 0 H MET A 125 -12.211 8.369 -0.328 1.00 0.25 H new ATOM 0 HA MET A 125 -10.482 10.260 1.000 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.714 7.241 1.276 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.898 8.325 2.386 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.966 9.346 3.058 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.850 8.575 1.757 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.456 7.179 5.679 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.424 8.592 5.356 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.020 8.461 4.581 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.280 7.926 -1.010 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.118 7.527 -1.799 1.00 0.27 C ATOM 1733 C ALA A 126 -7.590 8.686 -2.636 1.00 0.25 C ATOM 1734 O ALA A 126 -6.383 8.856 -2.778 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.464 6.348 -2.695 1.00 0.31 C ATOM 0 H ALA A 126 -10.098 7.331 -1.143 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.333 7.227 -1.105 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.587 6.063 -3.276 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.782 5.505 -2.081 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.272 6.629 -3.371 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.503 9.479 -3.186 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.135 10.652 -3.979 1.00 0.30 C ATOM 1743 C GLN A 127 -7.250 11.609 -3.178 1.00 0.28 C ATOM 1744 O GLN A 127 -6.256 12.131 -3.689 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.391 11.384 -4.454 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.907 10.898 -5.796 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.358 11.260 -6.016 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.683 12.111 -6.848 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.240 10.619 -5.271 1.00 1.62 N ATOM 0 H GLN A 127 -9.508 9.332 -3.098 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.569 10.306 -4.844 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.176 11.264 -3.707 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.176 12.450 -4.521 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.302 11.329 -6.594 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.791 9.816 -5.857 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.926 9.922 -4.595 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -13.235 10.820 -5.372 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.613 11.822 -1.919 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.865 12.708 -1.035 1.00 0.28 C ATOM 1760 C ALA A 128 -5.579 12.040 -0.553 1.00 0.24 C ATOM 1761 O ALA A 128 -4.521 12.672 -0.497 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.730 13.112 0.150 1.00 0.32 C ATOM 0 H ALA A 128 -8.428 11.389 -1.484 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.590 13.602 -1.595 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.163 13.774 0.805 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.619 13.631 -0.209 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.028 12.221 0.703 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.688 10.759 -0.214 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.544 9.956 0.220 1.00 0.17 C ATOM 1770 C LEU A 129 -3.460 9.945 -0.859 1.00 0.17 C ATOM 1771 O LEU A 129 -2.274 10.125 -0.581 1.00 0.19 O ATOM 1772 CB LEU A 129 -4.997 8.514 0.497 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.431 8.190 1.936 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.519 9.136 2.406 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -5.915 6.748 2.019 1.00 0.33 C ATOM 0 H LEU A 129 -6.570 10.247 -0.232 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.137 10.396 1.130 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.829 8.285 -0.169 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.180 7.844 0.229 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.569 8.318 2.590 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.806 8.883 3.427 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -6.148 10.160 2.377 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.387 9.046 1.753 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.221 6.525 3.041 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -6.763 6.610 1.348 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.108 6.076 1.727 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.899 9.756 -2.096 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.011 9.659 -3.251 1.00 0.22 C ATOM 1789 C GLU A 130 -2.136 10.908 -3.406 1.00 0.20 C ATOM 1790 O GLU A 130 -1.023 10.834 -3.930 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.862 9.437 -4.503 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.075 9.299 -5.792 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.871 9.779 -6.985 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.929 11.003 -7.215 1.00 1.47 O ATOM 1795 OE2 GLU A 130 -4.421 8.931 -7.717 1.00 1.27 O ATOM 0 H GLU A 130 -4.888 9.665 -2.330 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.333 8.818 -3.104 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.462 8.538 -4.362 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.556 10.271 -4.606 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.150 9.871 -5.717 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.794 8.256 -5.937 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.624 12.041 -2.917 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.914 13.302 -3.065 1.00 0.28 C ATOM 1804 C LYS A 131 -0.638 13.294 -2.239 1.00 0.25 C ATOM 1805 O LYS A 131 0.406 13.739 -2.702 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.809 14.473 -2.653 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.230 15.355 -3.819 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.446 14.792 -4.543 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.042 13.785 -5.606 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.210 13.068 -6.172 1.00 2.24 N ATOM 0 H LYS A 131 -3.509 12.111 -2.415 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.646 13.425 -4.114 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.701 14.083 -2.162 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.282 15.082 -1.919 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.456 16.357 -3.454 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.401 15.451 -4.520 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.112 14.316 -3.823 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.005 15.606 -5.005 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -3.510 14.299 -6.407 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -3.349 13.063 -5.175 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -4.881 12.333 -6.830 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.752 12.626 -5.403 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.818 13.741 -6.681 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.722 12.759 -1.026 1.00 0.28 N ATOM 1825 CA ILE A 132 0.441 12.671 -0.153 1.00 0.33 C ATOM 1826 C ILE A 132 1.437 11.658 -0.705 1.00 0.26 C ATOM 1827 O ILE A 132 2.650 11.810 -0.543 1.00 0.29 O ATOM 1828 CB ILE A 132 0.053 12.273 1.287 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.127 13.117 1.773 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.245 12.432 2.221 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.528 12.829 3.204 1.00 0.59 C ATOM 0 H ILE A 132 -1.581 12.381 -0.626 1.00 0.28 H new ATOM 0 HA ILE A 132 0.896 13.661 -0.120 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.248 11.226 1.289 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.870 14.172 1.682 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.983 12.940 1.122 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.955 12.147 3.232 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.060 11.792 1.883 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.575 13.471 2.217 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.370 13.463 3.481 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.816 11.782 3.297 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.687 13.034 3.866 1.00 0.59 H new ATOM 1843 N PHE A 133 0.911 10.631 -1.366 1.00 0.25 N ATOM 1844 CA PHE A 133 1.743 9.606 -1.978 1.00 0.28 C ATOM 1845 C PHE A 133 2.668 10.220 -3.026 1.00 0.26 C ATOM 1846 O PHE A 133 3.887 10.194 -2.873 1.00 0.28 O ATOM 1847 CB PHE A 133 0.869 8.517 -2.611 1.00 0.34 C ATOM 1848 CG PHE A 133 1.659 7.449 -3.312 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.626 6.728 -2.632 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.439 7.173 -4.652 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.361 5.753 -3.274 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.171 6.197 -5.300 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.132 5.486 -4.609 1.00 0.44 C ATOM 0 H PHE A 133 -0.091 10.488 -1.490 1.00 0.25 H new ATOM 0 HA PHE A 133 2.357 9.152 -1.200 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.258 8.056 -1.835 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.185 8.979 -3.323 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.807 6.931 -1.587 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.688 7.727 -5.195 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.114 5.199 -2.733 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.992 5.991 -6.345 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.704 4.721 -5.113 1.00 0.44 H new ATOM 1863 N LEU A 134 2.087 10.813 -4.068 1.00 0.27 N ATOM 1864 CA LEU A 134 2.879 11.389 -5.152 1.00 0.34 C ATOM 1865 C LEU A 134 3.712 12.560 -4.645 1.00 0.34 C ATOM 1866 O LEU A 134 4.785 12.850 -5.176 1.00 0.43 O ATOM 1867 CB LEU A 134 1.984 11.833 -6.319 1.00 0.42 C ATOM 1868 CG LEU A 134 0.825 12.769 -5.958 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.176 14.213 -6.285 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.438 12.359 -6.697 1.00 0.59 C ATOM 0 H LEU A 134 1.078 10.907 -4.184 1.00 0.27 H new ATOM 0 HA LEU A 134 3.553 10.615 -5.520 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.609 12.330 -7.061 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.572 10.943 -6.794 1.00 0.42 H new ATOM 0 HG LEU A 134 0.647 12.690 -4.886 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.339 14.860 -6.021 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.058 14.511 -5.718 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.383 14.305 -7.351 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.251 13.034 -6.430 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.263 12.409 -7.772 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.707 11.339 -6.421 1.00 0.59 H new ATOM 1882 N GLN A 135 3.210 13.216 -3.606 1.00 0.29 N ATOM 1883 CA GLN A 135 3.900 14.338 -2.992 1.00 0.35 C ATOM 1884 C GLN A 135 5.265 13.913 -2.472 1.00 0.36 C ATOM 1885 O GLN A 135 6.295 14.461 -2.865 1.00 0.55 O ATOM 1886 CB GLN A 135 3.059 14.894 -1.844 1.00 0.37 C ATOM 1887 CG GLN A 135 2.586 16.321 -2.071 1.00 0.51 C ATOM 1888 CD GLN A 135 1.786 16.866 -0.902 1.00 1.06 C ATOM 1889 OE1 GLN A 135 2.065 16.558 0.260 1.00 1.43 O ATOM 1890 NE2 GLN A 135 0.786 17.678 -1.201 1.00 1.61 N ATOM 0 H GLN A 135 2.318 12.985 -3.169 1.00 0.29 H new ATOM 0 HA GLN A 135 4.044 15.111 -3.746 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.191 14.252 -1.696 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.644 14.856 -0.925 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.450 16.962 -2.245 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.975 16.358 -2.973 1.00 0.51 H new ATOM 0 HE21 GLN A 135 0.589 17.907 -2.175 1.00 1.61 H new ATOM 0 HE22 GLN A 135 0.212 18.075 -0.457 1.00 1.61 H new ATOM 1899 N LYS A 136 5.265 12.908 -1.607 1.00 0.25 N ATOM 1900 CA LYS A 136 6.490 12.441 -0.975 1.00 0.26 C ATOM 1901 C LYS A 136 7.320 11.594 -1.940 1.00 0.23 C ATOM 1902 O LYS A 136 8.527 11.432 -1.756 1.00 0.25 O ATOM 1903 CB LYS A 136 6.157 11.644 0.289 1.00 0.32 C ATOM 1904 CG LYS A 136 6.411 12.410 1.579 1.00 0.54 C ATOM 1905 CD LYS A 136 5.227 13.286 1.957 1.00 0.50 C ATOM 1906 CE LYS A 136 5.607 14.307 3.019 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.420 15.422 2.464 1.00 1.52 N ATOM 0 H LYS A 136 4.427 12.399 -1.326 1.00 0.25 H new ATOM 0 HA LYS A 136 7.086 13.311 -0.698 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.109 11.345 0.254 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.749 10.729 0.297 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.615 11.706 2.386 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.300 13.030 1.465 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.857 13.801 1.071 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.413 12.661 2.326 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.702 14.711 3.472 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.167 13.812 3.812 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 7.299 15.516 3.011 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.650 15.222 1.470 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 5.879 16.308 2.523 1.00 1.52 H new ATOM 1921 N VAL A 137 6.677 11.067 -2.975 1.00 0.23 N ATOM 1922 CA VAL A 137 7.372 10.271 -3.976 1.00 0.25 C ATOM 1923 C VAL A 137 8.211 11.170 -4.877 1.00 0.30 C ATOM 1924 O VAL A 137 9.287 10.780 -5.333 1.00 0.33 O ATOM 1925 CB VAL A 137 6.388 9.431 -4.821 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.037 8.926 -6.103 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.862 8.263 -4.001 1.00 0.33 C ATOM 0 H VAL A 137 5.677 11.177 -3.142 1.00 0.23 H new ATOM 0 HA VAL A 137 8.030 9.579 -3.451 1.00 0.25 H new ATOM 0 HB VAL A 137 5.556 10.076 -5.104 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.314 8.340 -6.670 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.367 9.774 -6.703 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.895 8.302 -5.855 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.169 7.677 -4.605 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.695 7.633 -3.690 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.344 8.641 -3.120 1.00 0.33 H new ATOM 1937 N ALA A 138 7.734 12.389 -5.102 1.00 0.34 N ATOM 1938 CA ALA A 138 8.476 13.362 -5.887 1.00 0.43 C ATOM 1939 C ALA A 138 9.767 13.739 -5.171 1.00 0.43 C ATOM 1940 O ALA A 138 10.719 14.218 -5.787 1.00 0.50 O ATOM 1941 CB ALA A 138 7.629 14.599 -6.145 1.00 0.50 C ATOM 0 H ALA A 138 6.837 12.725 -4.751 1.00 0.34 H new ATOM 0 HA ALA A 138 8.728 12.914 -6.848 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.202 15.316 -6.734 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.729 14.316 -6.692 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.348 15.053 -5.194 1.00 0.50 H new ATOM 1947 N GLN A 139 9.797 13.492 -3.867 1.00 0.39 N ATOM 1948 CA GLN A 139 10.948 13.832 -3.049 1.00 0.43 C ATOM 1949 C GLN A 139 11.854 12.620 -2.851 1.00 0.40 C ATOM 1950 O GLN A 139 12.887 12.706 -2.183 1.00 0.45 O ATOM 1951 CB GLN A 139 10.491 14.364 -1.689 1.00 0.45 C ATOM 1952 CG GLN A 139 9.204 15.169 -1.749 1.00 0.54 C ATOM 1953 CD GLN A 139 8.801 15.716 -0.396 1.00 1.08 C ATOM 1954 OE1 GLN A 139 7.873 15.215 0.239 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.496 16.746 0.055 1.00 1.56 N ATOM 0 H GLN A 139 9.031 13.055 -3.354 1.00 0.39 H new ATOM 0 HA GLN A 139 11.514 14.606 -3.567 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.352 13.524 -1.008 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.280 14.988 -1.269 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.328 15.995 -2.449 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.403 14.540 -2.137 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.258 17.131 -0.503 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.271 17.156 0.961 1.00 1.56 H new ATOM 1964 N MET A 140 11.456 11.489 -3.423 1.00 0.35 N ATOM 1965 CA MET A 140 12.215 10.248 -3.296 1.00 0.35 C ATOM 1966 C MET A 140 13.544 10.329 -4.043 1.00 0.40 C ATOM 1967 O MET A 140 13.659 11.049 -5.037 1.00 0.48 O ATOM 1968 CB MET A 140 11.397 9.070 -3.828 1.00 0.38 C ATOM 1969 CG MET A 140 10.446 8.483 -2.803 1.00 0.66 C ATOM 1970 SD MET A 140 10.924 6.830 -2.287 1.00 0.86 S ATOM 1971 CE MET A 140 9.895 5.863 -3.379 1.00 0.67 C ATOM 0 H MET A 140 10.607 11.405 -3.982 1.00 0.35 H new ATOM 0 HA MET A 140 12.426 10.096 -2.237 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.826 9.397 -4.697 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.077 8.290 -4.169 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.409 9.136 -1.931 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.440 8.453 -3.221 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.610 4.935 -2.883 1.00 0.67 H new ATOM 0 HE2 MET A 140 8.999 6.430 -3.631 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.447 5.633 -4.290 1.00 0.67 H new ATOM 1981 N PRO A 141 14.563 9.589 -3.577 1.00 0.42 N ATOM 1982 CA PRO A 141 15.870 9.546 -4.233 1.00 0.52 C ATOM 1983 C PRO A 141 15.810 8.749 -5.528 1.00 0.61 C ATOM 1984 O PRO A 141 15.732 7.517 -5.511 1.00 0.67 O ATOM 1985 CB PRO A 141 16.756 8.844 -3.205 1.00 0.55 C ATOM 1986 CG PRO A 141 15.830 7.984 -2.424 1.00 0.53 C ATOM 1987 CD PRO A 141 14.522 8.729 -2.374 1.00 0.46 C ATOM 0 HA PRO A 141 16.236 10.534 -4.513 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.531 8.251 -3.691 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.262 9.564 -2.563 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.707 7.010 -2.898 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.216 7.804 -1.421 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.672 8.047 -2.398 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.432 9.320 -1.462 1.00 0.46 H new ATOM 1995 N GLN A 142 15.860 9.447 -6.653 1.00 0.76 N ATOM 1996 CA GLN A 142 15.667 8.811 -7.949 1.00 0.94 C ATOM 1997 C GLN A 142 16.973 8.268 -8.510 1.00 0.93 C ATOM 1998 O GLN A 142 17.150 8.160 -9.725 1.00 1.17 O ATOM 1999 CB GLN A 142 15.015 9.785 -8.929 1.00 1.21 C ATOM 2000 CG GLN A 142 13.504 9.632 -9.001 1.00 1.60 C ATOM 2001 CD GLN A 142 12.773 10.950 -8.875 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.117 11.400 -9.815 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.871 11.573 -7.712 1.00 2.91 N ATOM 0 H GLN A 142 16.032 10.451 -6.695 1.00 0.76 H new ATOM 0 HA GLN A 142 14.999 7.962 -7.807 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.258 10.806 -8.634 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.438 9.631 -9.922 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.236 9.163 -9.948 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.173 8.962 -8.208 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.425 11.164 -6.960 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.392 12.462 -7.568 1.00 2.91 H new ATOM 2012 N GLU A 143 17.878 7.931 -7.611 1.00 0.80 N ATOM 2013 CA GLU A 143 19.138 7.331 -7.961 1.00 0.91 C ATOM 2014 C GLU A 143 19.203 5.919 -7.398 1.00 0.87 C ATOM 2015 O GLU A 143 19.709 5.003 -8.045 1.00 1.20 O ATOM 2016 CB GLU A 143 20.248 8.184 -7.382 1.00 1.04 C ATOM 2017 CG GLU A 143 19.922 9.664 -7.411 1.00 1.22 C ATOM 2018 CD GLU A 143 19.459 10.177 -6.066 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.084 9.349 -5.209 1.00 2.30 O ATOM 2020 OE2 GLU A 143 19.489 11.407 -5.852 1.00 2.70 O ATOM 0 H GLU A 143 17.752 8.070 -6.608 1.00 0.80 H new ATOM 0 HA GLU A 143 19.247 7.274 -9.044 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.437 7.878 -6.353 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.167 8.007 -7.942 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.804 10.222 -7.726 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.146 9.848 -8.154 1.00 1.22 H new ATOM 2027 N GLU A 144 18.673 5.772 -6.181 1.00 0.77 N ATOM 2028 CA GLU A 144 18.575 4.480 -5.502 1.00 0.77 C ATOM 2029 C GLU A 144 19.948 3.995 -5.042 1.00 0.82 C ATOM 2030 O GLU A 144 20.701 3.394 -5.804 1.00 1.16 O ATOM 2031 CB GLU A 144 17.917 3.437 -6.412 1.00 0.82 C ATOM 2032 CG GLU A 144 17.605 2.117 -5.727 1.00 1.04 C ATOM 2033 CD GLU A 144 16.713 1.237 -6.575 1.00 1.58 C ATOM 2034 OE1 GLU A 144 15.513 1.552 -6.720 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.207 0.219 -7.094 1.00 1.87 O ATOM 0 H GLU A 144 18.299 6.550 -5.638 1.00 0.77 H new ATOM 0 HA GLU A 144 17.949 4.614 -4.620 1.00 0.77 H new ATOM 0 HB2 GLU A 144 16.992 3.853 -6.812 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.574 3.246 -7.261 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.535 1.591 -5.512 1.00 1.04 H new ATOM 0 HG3 GLU A 144 17.120 2.310 -4.770 1.00 1.04 H new ATOM 2042 N VAL A 145 20.266 4.269 -3.787 1.00 0.63 N ATOM 2043 CA VAL A 145 21.534 3.843 -3.207 1.00 0.68 C ATOM 2044 C VAL A 145 21.288 2.789 -2.138 1.00 0.61 C ATOM 2045 O VAL A 145 20.340 2.903 -1.365 1.00 0.61 O ATOM 2046 CB VAL A 145 22.312 5.022 -2.578 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.807 4.738 -2.580 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.015 6.327 -3.310 1.00 0.88 C ATOM 0 H VAL A 145 19.663 4.786 -3.147 1.00 0.63 H new ATOM 0 HA VAL A 145 22.135 3.431 -4.017 1.00 0.68 H new ATOM 0 HB VAL A 145 21.981 5.131 -1.545 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.338 5.579 -2.134 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.007 3.835 -2.003 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.149 4.596 -3.605 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.575 7.139 -2.847 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.309 6.233 -4.355 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.948 6.542 -3.251 1.00 0.88 H new ATOM 2058 N GLU A 146 22.128 1.767 -2.104 1.00 0.66 N ATOM 2059 CA GLU A 146 22.001 0.708 -1.114 1.00 0.68 C ATOM 2060 C GLU A 146 22.591 1.141 0.220 1.00 0.72 C ATOM 2061 O GLU A 146 23.572 1.886 0.264 1.00 0.75 O ATOM 2062 CB GLU A 146 22.694 -0.553 -1.600 1.00 0.79 C ATOM 2063 CG GLU A 146 21.730 -1.688 -1.855 1.00 1.00 C ATOM 2064 CD GLU A 146 22.117 -2.524 -3.052 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.330 -2.736 -3.272 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.211 -2.990 -3.772 1.00 1.24 O ATOM 0 H GLU A 146 22.907 1.648 -2.752 1.00 0.66 H new ATOM 0 HA GLU A 146 20.940 0.501 -0.973 1.00 0.68 H new ATOM 0 HB2 GLU A 146 23.239 -0.332 -2.518 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.430 -0.866 -0.859 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.684 -2.325 -0.972 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.730 -1.282 -2.008 1.00 1.00 H new ATOM 2073 N LEU A 147 21.996 0.669 1.306 1.00 0.76 N ATOM 2074 CA LEU A 147 22.451 1.033 2.636 1.00 0.86 C ATOM 2075 C LEU A 147 23.323 -0.070 3.228 1.00 1.01 C ATOM 2076 O LEU A 147 23.655 0.011 4.429 1.00 1.57 O ATOM 2077 CB LEU A 147 21.260 1.291 3.556 1.00 0.86 C ATOM 2078 CG LEU A 147 20.377 2.474 3.171 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.048 2.394 3.903 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.082 3.788 3.474 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.659 -1.025 2.492 1.00 1.46 O ATOM 0 H LEU A 147 21.198 0.034 1.290 1.00 0.76 H new ATOM 0 HA LEU A 147 23.042 1.945 2.551 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.643 0.393 3.583 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.633 1.452 4.568 1.00 0.86 H new ATOM 0 HG LEU A 147 20.185 2.433 2.099 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.426 3.243 3.621 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.540 1.467 3.635 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.223 2.414 4.979 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.437 4.620 3.193 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.304 3.845 4.540 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.011 3.842 2.907 1.00 0.82 H new