USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 800 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 29 GLN : amide:sc= -0.378 K(o=-0.27,f=-1) USER MOD Set 1.2: A 33 ASN : amide:sc= 0.5 K(o=-0.27,f=-1.6) USER MOD Set 1.3: A 35 GLN : amide:sc= -1.06 K(o=-0.27,f=-2.4!) USER MOD Set 1.4: A 107 ASN : amide:sc= 0.664 K(o=-0.27,f=-1) USER MOD Set 2.1: A 93 ASN : amide:sc= -1.98 K(o=-1.3,f=-8.3!) USER MOD Set 2.2: A 97 SER OG : rot -123:sc= 0.695 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 171:sc= 1.56 (180deg=0.941) USER MOD Set 3.2: A 90 SER OG : rot -142:sc= 1.2 USER MOD Set 4.1: A 19 ASN : amide:sc= 1.72 K(o=4.7,f=-1.2!) USER MOD Set 4.2: A 79 ASN : amide:sc= 0.928 K(o=4.7,f=-4.5) USER MOD Set 4.3: A 80 ASN : amide:sc= 2.03 K(o=4.7,f=-3.7) USER MOD Set 5.1: A 69 SER OG : rot -108:sc= 1.15 USER MOD Set 5.2: A 87 LYS NZ :NH3+ 158:sc= 2.85 (180deg=0.959) USER MOD Set 6.1: A 54 THR OG1 : rot 180:sc= 0.735 USER MOD Set 6.2: A 75 LYS NZ :NH3+ 144:sc= 1.83 (180deg=1.4) USER MOD Set 7.1: A 42 ASN : amide:sc= 0.0152 K(o=-1,f=-6.5!) USER MOD Set 7.2: A 62 SER OG : rot -46:sc= -1.02 USER MOD Set 8.1: A 27 THR OG1 : rot 86:sc= 1.26 USER MOD Set 8.2: A 74 MET CE :methyl 172:sc= -1.14 (180deg=-1.28) USER MOD Set 9.1: A 24 TYR OH : rot -27:sc= 1.14 USER MOD Set 9.2: A 49 ASN :FLIP amide:sc= 0.957 F(o=1.5,f=2.1) USER MOD Set10.1: A 21 ASN : amide:sc= -0.241 K(o=0.84,f=-1.3!) USER MOD Set10.2: A 25 ASN : amide:sc= 1.08 K(o=0.84,f=-0.24) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 8 LYS NZ :NH3+ -111:sc= 0.791 (180deg=-1.63!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 18 TYR OH : rot 90:sc= -1.19 USER MOD Single : A 22 THR OG1 : rot 170:sc= -1.04 USER MOD Single : A 32 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.8) USER MOD Single : A 36 THR OG1 : rot 163:sc= 1.03 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -46:sc= 0.66 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -150:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= 0.152 (180deg=-2.9!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0.749 K(o=0.75,f=-2.2!) USER MOD Single : A 60 SER OG : rot -140:sc= 0.0747 USER MOD Single : A 64 SER OG : rot 35:sc= 0.695 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.2 K(o=1.2,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.58 (180deg=0.338) USER MOD Single : A 82 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 85 SER OG : rot 80:sc= 0.977 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0057 USER MOD Single : A 91 GLN : amide:sc= -0.536 K(o=-0.54,f=-2.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00456 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.679 -11.757 5.429 1.00 35.33 N ATOM 73 CA GLN A 6 -1.614 -12.737 5.417 1.00 61.21 C ATOM 74 C GLN A 6 -0.295 -12.073 5.110 1.00 64.35 C ATOM 75 O GLN A 6 -0.218 -11.178 4.266 1.00 31.42 O ATOM 76 CB GLN A 6 -1.901 -13.849 4.401 1.00 42.12 C ATOM 77 CG GLN A 6 -3.152 -14.642 4.732 1.00 35.14 C ATOM 78 CD GLN A 6 -3.471 -15.740 3.764 1.00 43.02 C ATOM 79 OE1 GLN A 6 -3.152 -15.666 2.572 1.00 62.21 O ATOM 80 NE2 GLN A 6 -4.149 -16.740 4.248 1.00 42.34 N ATOM 0 HA GLN A 6 -1.558 -13.190 6.407 1.00 61.21 H new ATOM 0 HB2 GLN A 6 -2.007 -13.410 3.409 1.00 42.12 H new ATOM 0 HB3 GLN A 6 -1.048 -14.526 4.360 1.00 42.12 H new ATOM 0 HG2 GLN A 6 -3.040 -15.074 5.726 1.00 35.14 H new ATOM 0 HG3 GLN A 6 -3.999 -13.957 4.776 1.00 35.14 H new ATOM 0 HE21 GLN A 6 -4.391 -16.760 5.239 1.00 42.34 H new ATOM 0 HE22 GLN A 6 -4.438 -17.503 3.637 1.00 42.34 H new ATOM 89 N TYR A 7 0.721 -12.481 5.816 1.00 70.12 N ATOM 90 CA TYR A 7 2.049 -11.970 5.624 1.00 73.30 C ATOM 91 C TYR A 7 2.991 -13.121 5.286 1.00 40.20 C ATOM 92 O TYR A 7 3.156 -14.036 6.090 1.00 13.43 O ATOM 93 CB TYR A 7 2.518 -11.226 6.886 1.00 44.32 C ATOM 94 CG TYR A 7 3.911 -10.660 6.775 1.00 41.51 C ATOM 95 CD1 TYR A 7 4.147 -9.502 6.059 1.00 34.54 C ATOM 96 CD2 TYR A 7 4.990 -11.290 7.379 1.00 54.32 C ATOM 97 CE1 TYR A 7 5.411 -8.989 5.939 1.00 50.43 C ATOM 98 CE2 TYR A 7 6.258 -10.779 7.266 1.00 74.14 C ATOM 99 CZ TYR A 7 6.462 -9.630 6.541 1.00 15.14 C ATOM 100 OH TYR A 7 7.713 -9.121 6.422 1.00 52.04 O ATOM 0 H TYR A 7 0.650 -13.186 6.550 1.00 70.12 H new ATOM 0 HA TYR A 7 2.052 -11.261 4.796 1.00 73.30 H new ATOM 0 HB2 TYR A 7 1.822 -10.415 7.098 1.00 44.32 H new ATOM 0 HB3 TYR A 7 2.480 -11.909 7.735 1.00 44.32 H new ATOM 0 HD1 TYR A 7 3.320 -8.993 5.586 1.00 34.54 H new ATOM 0 HD2 TYR A 7 4.829 -12.195 7.946 1.00 54.32 H new ATOM 0 HE1 TYR A 7 5.579 -8.084 5.373 1.00 50.43 H new ATOM 0 HE2 TYR A 7 7.090 -11.276 7.743 1.00 74.14 H new ATOM 0 HH TYR A 7 8.346 -9.691 6.907 1.00 52.04 H new ATOM 110 N LYS A 8 3.587 -13.090 4.117 1.00 4.23 N ATOM 111 CA LYS A 8 4.521 -14.123 3.725 1.00 74.12 C ATOM 112 C LYS A 8 5.521 -13.552 2.739 1.00 43.11 C ATOM 113 O LYS A 8 5.163 -12.728 1.928 1.00 62.33 O ATOM 114 CB LYS A 8 3.814 -15.366 3.133 1.00 23.01 C ATOM 115 CG LYS A 8 4.714 -16.613 3.112 1.00 65.22 C ATOM 116 CD LYS A 8 4.005 -17.858 2.570 1.00 32.14 C ATOM 117 CE LYS A 8 3.842 -17.838 1.053 1.00 75.44 C ATOM 118 NZ LYS A 8 5.151 -17.888 0.350 1.00 54.21 N ATOM 0 H LYS A 8 3.442 -12.360 3.419 1.00 4.23 H new ATOM 0 HA LYS A 8 5.042 -14.461 4.621 1.00 74.12 H new ATOM 0 HB2 LYS A 8 2.918 -15.580 3.716 1.00 23.01 H new ATOM 0 HB3 LYS A 8 3.487 -15.143 2.117 1.00 23.01 H new ATOM 0 HG2 LYS A 8 5.593 -16.409 2.501 1.00 65.22 H new ATOM 0 HG3 LYS A 8 5.068 -16.815 4.123 1.00 65.22 H new ATOM 0 HD2 LYS A 8 4.569 -18.745 2.858 1.00 32.14 H new ATOM 0 HD3 LYS A 8 3.022 -17.941 3.034 1.00 32.14 H new ATOM 0 HE2 LYS A 8 3.232 -18.686 0.743 1.00 75.44 H new ATOM 0 HE3 LYS A 8 3.307 -16.936 0.758 1.00 75.44 H new ATOM 0 HZ1 LYS A 8 5.330 -16.976 -0.116 1.00 54.21 H new ATOM 0 HZ2 LYS A 8 5.907 -18.080 1.038 1.00 54.21 H new ATOM 0 HZ3 LYS A 8 5.133 -18.644 -0.364 1.00 54.21 H new ATOM 132 N ASP A 9 6.786 -13.939 2.903 1.00 10.13 N ATOM 133 CA ASP A 9 7.939 -13.568 2.012 1.00 24.21 C ATOM 134 C ASP A 9 8.089 -12.048 1.913 1.00 34.40 C ATOM 135 O ASP A 9 8.503 -11.518 0.900 1.00 61.31 O ATOM 136 CB ASP A 9 7.735 -14.113 0.562 1.00 13.44 C ATOM 137 CG ASP A 9 7.031 -15.446 0.472 1.00 52.41 C ATOM 138 OD1 ASP A 9 7.561 -16.484 0.906 1.00 35.13 O ATOM 139 OD2 ASP A 9 5.891 -15.482 -0.023 1.00 54.14 O ATOM 0 H ASP A 9 7.069 -14.539 3.678 1.00 10.13 H new ATOM 0 HA ASP A 9 8.830 -14.011 2.458 1.00 24.21 H new ATOM 0 HB2 ASP A 9 7.165 -13.379 -0.008 1.00 13.44 H new ATOM 0 HB3 ASP A 9 8.710 -14.202 0.083 1.00 13.44 H new ATOM 144 N GLY A 10 7.822 -11.365 3.014 1.00 62.51 N ATOM 145 CA GLY A 10 7.938 -9.911 3.039 1.00 51.45 C ATOM 146 C GLY A 10 6.738 -9.210 2.397 1.00 53.13 C ATOM 147 O GLY A 10 6.680 -7.993 2.345 1.00 60.03 O ATOM 0 H GLY A 10 7.526 -11.786 3.895 1.00 62.51 H new ATOM 0 HA2 GLY A 10 8.039 -9.577 4.072 1.00 51.45 H new ATOM 0 HA3 GLY A 10 8.848 -9.614 2.518 1.00 51.45 H new ATOM 151 N TYR A 11 5.802 -9.978 1.916 1.00 33.34 N ATOM 152 CA TYR A 11 4.558 -9.479 1.342 1.00 3.12 C ATOM 153 C TYR A 11 3.494 -9.424 2.415 1.00 65.20 C ATOM 154 O TYR A 11 3.346 -10.362 3.197 1.00 71.50 O ATOM 155 CB TYR A 11 4.036 -10.391 0.214 1.00 43.04 C ATOM 156 CG TYR A 11 4.810 -10.392 -1.087 1.00 61.44 C ATOM 157 CD1 TYR A 11 6.061 -10.987 -1.192 1.00 42.54 C ATOM 158 CD2 TYR A 11 4.254 -9.833 -2.228 1.00 63.32 C ATOM 159 CE1 TYR A 11 6.740 -11.015 -2.399 1.00 13.54 C ATOM 160 CE2 TYR A 11 4.923 -9.853 -3.434 1.00 33.24 C ATOM 161 CZ TYR A 11 6.163 -10.444 -3.516 1.00 72.14 C ATOM 162 OH TYR A 11 6.829 -10.459 -4.724 1.00 62.23 O ATOM 0 H TYR A 11 5.873 -10.996 1.906 1.00 33.34 H new ATOM 0 HA TYR A 11 4.766 -8.490 0.933 1.00 3.12 H new ATOM 0 HB2 TYR A 11 4.008 -11.413 0.591 1.00 43.04 H new ATOM 0 HB3 TYR A 11 3.008 -10.103 -0.005 1.00 43.04 H new ATOM 0 HD1 TYR A 11 6.511 -11.435 -0.319 1.00 42.54 H new ATOM 0 HD2 TYR A 11 3.278 -9.373 -2.171 1.00 63.32 H new ATOM 0 HE1 TYR A 11 7.713 -11.480 -2.466 1.00 13.54 H new ATOM 0 HE2 TYR A 11 4.476 -9.407 -4.310 1.00 33.24 H new ATOM 0 HH TYR A 11 6.281 -10.016 -5.405 1.00 62.23 H new ATOM 172 N TYR A 12 2.773 -8.346 2.457 1.00 44.23 N ATOM 173 CA TYR A 12 1.684 -8.181 3.388 1.00 5.23 C ATOM 174 C TYR A 12 0.422 -7.991 2.588 1.00 41.41 C ATOM 175 O TYR A 12 0.308 -7.032 1.820 1.00 54.13 O ATOM 176 CB TYR A 12 1.922 -6.964 4.282 1.00 45.22 C ATOM 177 CG TYR A 12 0.895 -6.754 5.376 1.00 71.31 C ATOM 178 CD1 TYR A 12 1.004 -7.412 6.594 1.00 22.24 C ATOM 179 CD2 TYR A 12 -0.169 -5.878 5.200 1.00 55.15 C ATOM 180 CE1 TYR A 12 0.085 -7.203 7.603 1.00 73.21 C ATOM 181 CE2 TYR A 12 -1.094 -5.668 6.201 1.00 44.43 C ATOM 182 CZ TYR A 12 -0.962 -6.330 7.399 1.00 54.44 C ATOM 183 OH TYR A 12 -1.879 -6.115 8.402 1.00 63.13 O ATOM 0 H TYR A 12 2.920 -7.545 1.843 1.00 44.23 H new ATOM 0 HA TYR A 12 1.605 -9.058 4.031 1.00 5.23 H new ATOM 0 HB2 TYR A 12 2.905 -7.059 4.743 1.00 45.22 H new ATOM 0 HB3 TYR A 12 1.948 -6.073 3.655 1.00 45.22 H new ATOM 0 HD1 TYR A 12 1.822 -8.099 6.755 1.00 22.24 H new ATOM 0 HD2 TYR A 12 -0.274 -5.352 4.262 1.00 55.15 H new ATOM 0 HE1 TYR A 12 0.186 -7.720 8.546 1.00 73.21 H new ATOM 0 HE2 TYR A 12 -1.918 -4.987 6.045 1.00 44.43 H new ATOM 0 HH TYR A 12 -2.552 -5.471 8.097 1.00 63.13 H new ATOM 193 N ILE A 13 -0.486 -8.891 2.724 1.00 43.21 N ATOM 194 CA ILE A 13 -1.722 -8.828 2.010 1.00 54.41 C ATOM 195 C ILE A 13 -2.851 -8.702 3.011 1.00 14.20 C ATOM 196 O ILE A 13 -2.869 -9.427 3.997 1.00 33.50 O ATOM 197 CB ILE A 13 -1.930 -10.123 1.168 1.00 54.30 C ATOM 198 CG1 ILE A 13 -0.750 -10.340 0.205 1.00 63.24 C ATOM 199 CG2 ILE A 13 -3.248 -10.063 0.396 1.00 24.42 C ATOM 200 CD1 ILE A 13 -0.819 -11.636 -0.578 1.00 72.44 C ATOM 0 H ILE A 13 -0.396 -9.701 3.338 1.00 43.21 H new ATOM 0 HA ILE A 13 -1.707 -7.970 1.338 1.00 54.41 H new ATOM 0 HB ILE A 13 -1.974 -10.969 1.854 1.00 54.30 H new ATOM 0 HG12 ILE A 13 -0.709 -9.506 -0.496 1.00 63.24 H new ATOM 0 HG13 ILE A 13 0.179 -10.322 0.776 1.00 63.24 H new ATOM 0 HG21 ILE A 13 -3.372 -10.977 -0.184 1.00 24.42 H new ATOM 0 HG22 ILE A 13 -4.076 -9.964 1.097 1.00 24.42 H new ATOM 0 HG23 ILE A 13 -3.237 -9.205 -0.276 1.00 24.42 H new ATOM 0 HD11 ILE A 13 0.049 -11.712 -1.233 1.00 72.44 H new ATOM 0 HD12 ILE A 13 -0.827 -12.479 0.113 1.00 72.44 H new ATOM 0 HD13 ILE A 13 -1.729 -11.650 -1.178 1.00 72.44 H new ATOM 212 N THR A 14 -3.741 -7.765 2.799 1.00 52.35 N ATOM 213 CA THR A 14 -4.904 -7.663 3.628 1.00 72.35 C ATOM 214 C THR A 14 -6.059 -7.052 2.838 1.00 51.12 C ATOM 215 O THR A 14 -5.848 -6.270 1.892 1.00 12.24 O ATOM 216 CB THR A 14 -4.647 -6.917 4.987 1.00 53.11 C ATOM 217 OG1 THR A 14 -5.776 -7.084 5.863 1.00 70.23 O ATOM 218 CG2 THR A 14 -4.403 -5.434 4.785 1.00 11.42 C ATOM 0 H THR A 14 -3.678 -7.065 2.059 1.00 52.35 H new ATOM 0 HA THR A 14 -5.181 -8.676 3.920 1.00 72.35 H new ATOM 0 HB THR A 14 -3.753 -7.357 5.429 1.00 53.11 H new ATOM 0 HG1 THR A 14 -5.606 -6.617 6.708 1.00 70.23 H new ATOM 0 HG21 THR A 14 -4.230 -4.959 5.751 1.00 11.42 H new ATOM 0 HG22 THR A 14 -3.529 -5.292 4.149 1.00 11.42 H new ATOM 0 HG23 THR A 14 -5.274 -4.983 4.310 1.00 11.42 H new ATOM 226 N THR A 15 -7.240 -7.443 3.184 1.00 34.45 N ATOM 227 CA THR A 15 -8.440 -7.000 2.537 1.00 11.44 C ATOM 228 C THR A 15 -9.008 -5.786 3.288 1.00 73.30 C ATOM 229 O THR A 15 -9.202 -5.830 4.503 1.00 53.42 O ATOM 230 CB THR A 15 -9.467 -8.157 2.498 1.00 44.34 C ATOM 231 OG1 THR A 15 -8.844 -9.319 1.893 1.00 33.13 O ATOM 232 CG2 THR A 15 -10.697 -7.771 1.685 1.00 54.21 C ATOM 0 H THR A 15 -7.407 -8.099 3.947 1.00 34.45 H new ATOM 0 HA THR A 15 -8.220 -6.701 1.512 1.00 11.44 H new ATOM 0 HB THR A 15 -9.782 -8.377 3.518 1.00 44.34 H new ATOM 0 HG1 THR A 15 -9.487 -10.058 1.866 1.00 33.13 H new ATOM 0 HG21 THR A 15 -11.402 -8.602 1.674 1.00 54.21 H new ATOM 0 HG22 THR A 15 -11.171 -6.899 2.135 1.00 54.21 H new ATOM 0 HG23 THR A 15 -10.399 -7.535 0.663 1.00 54.21 H new ATOM 240 N LEU A 16 -9.232 -4.712 2.570 1.00 2.15 N ATOM 241 CA LEU A 16 -9.723 -3.490 3.141 1.00 43.34 C ATOM 242 C LEU A 16 -11.094 -3.166 2.591 1.00 15.32 C ATOM 243 O LEU A 16 -11.285 -3.040 1.375 1.00 33.23 O ATOM 244 CB LEU A 16 -8.749 -2.357 2.844 1.00 23.44 C ATOM 245 CG LEU A 16 -7.365 -2.468 3.520 1.00 42.33 C ATOM 246 CD1 LEU A 16 -6.436 -1.361 3.045 1.00 74.51 C ATOM 247 CD2 LEU A 16 -7.501 -2.423 5.042 1.00 13.42 C ATOM 0 H LEU A 16 -9.076 -4.666 1.563 1.00 2.15 H new ATOM 0 HA LEU A 16 -9.808 -3.610 4.221 1.00 43.34 H new ATOM 0 HB2 LEU A 16 -8.602 -2.302 1.765 1.00 23.44 H new ATOM 0 HB3 LEU A 16 -9.209 -1.418 3.151 1.00 23.44 H new ATOM 0 HG LEU A 16 -6.932 -3.427 3.236 1.00 42.33 H new ATOM 0 HD11 LEU A 16 -5.468 -1.462 3.536 1.00 74.51 H new ATOM 0 HD12 LEU A 16 -6.304 -1.435 1.965 1.00 74.51 H new ATOM 0 HD13 LEU A 16 -6.869 -0.392 3.292 1.00 74.51 H new ATOM 0 HD21 LEU A 16 -6.514 -2.503 5.498 1.00 13.42 H new ATOM 0 HD22 LEU A 16 -7.963 -1.481 5.338 1.00 13.42 H new ATOM 0 HD23 LEU A 16 -8.123 -3.253 5.376 1.00 13.42 H new ATOM 259 N ASN A 17 -12.042 -3.008 3.469 1.00 63.02 N ATOM 260 CA ASN A 17 -13.410 -2.760 3.059 1.00 24.41 C ATOM 261 C ASN A 17 -13.679 -1.288 2.812 1.00 2.24 C ATOM 262 O ASN A 17 -14.370 -0.631 3.589 1.00 4.33 O ATOM 263 CB ASN A 17 -14.437 -3.346 4.046 1.00 12.42 C ATOM 264 CG ASN A 17 -14.399 -4.864 4.134 1.00 63.42 C ATOM 265 OD1 ASN A 17 -14.051 -5.546 3.185 1.00 72.15 O ATOM 266 ND2 ASN A 17 -14.765 -5.401 5.277 1.00 71.53 N ATOM 0 H ASN A 17 -11.901 -3.045 4.478 1.00 63.02 H new ATOM 0 HA ASN A 17 -13.534 -3.282 2.110 1.00 24.41 H new ATOM 0 HB2 ASN A 17 -14.256 -2.928 5.036 1.00 12.42 H new ATOM 0 HB3 ASN A 17 -15.437 -3.033 3.746 1.00 12.42 H new ATOM 0 HD21 ASN A 17 -14.763 -6.415 5.388 1.00 71.53 H new ATOM 0 HD22 ASN A 17 -15.051 -4.804 6.053 1.00 71.53 H new ATOM 273 N TYR A 18 -13.030 -0.754 1.801 1.00 72.52 N ATOM 274 CA TYR A 18 -13.291 0.592 1.326 1.00 72.42 C ATOM 275 C TYR A 18 -13.034 0.751 -0.142 1.00 51.03 C ATOM 276 O TYR A 18 -12.341 -0.069 -0.762 1.00 23.13 O ATOM 277 CB TYR A 18 -12.649 1.731 2.144 1.00 21.33 C ATOM 278 CG TYR A 18 -11.365 1.438 2.863 1.00 72.24 C ATOM 279 CD1 TYR A 18 -10.181 1.261 2.181 1.00 23.21 C ATOM 280 CD2 TYR A 18 -11.340 1.408 4.250 1.00 20.03 C ATOM 281 CE1 TYR A 18 -9.002 1.061 2.864 1.00 61.20 C ATOM 282 CE2 TYR A 18 -10.173 1.197 4.937 1.00 53.23 C ATOM 283 CZ TYR A 18 -9.005 1.030 4.245 1.00 14.33 C ATOM 284 OH TYR A 18 -7.836 0.841 4.931 1.00 62.42 O ATOM 0 H TYR A 18 -12.301 -1.242 1.280 1.00 72.52 H new ATOM 0 HA TYR A 18 -14.361 0.708 1.496 1.00 72.42 H new ATOM 0 HB2 TYR A 18 -12.472 2.569 1.470 1.00 21.33 H new ATOM 0 HB3 TYR A 18 -13.378 2.065 2.883 1.00 21.33 H new ATOM 0 HD1 TYR A 18 -10.177 1.279 1.101 1.00 23.21 H new ATOM 0 HD2 TYR A 18 -12.258 1.554 4.799 1.00 20.03 H new ATOM 0 HE1 TYR A 18 -8.078 0.929 2.321 1.00 61.20 H new ATOM 0 HE2 TYR A 18 -10.176 1.163 6.016 1.00 53.23 H new ATOM 0 HH TYR A 18 -7.421 1.709 5.115 1.00 62.42 H new ATOM 294 N ASN A 19 -13.572 1.832 -0.680 1.00 13.31 N ATOM 295 CA ASN A 19 -13.563 2.109 -2.104 1.00 30.30 C ATOM 296 C ASN A 19 -12.153 2.380 -2.592 1.00 34.42 C ATOM 297 O ASN A 19 -11.417 3.164 -1.989 1.00 13.43 O ATOM 298 CB ASN A 19 -14.460 3.319 -2.417 1.00 4.22 C ATOM 299 CG ASN A 19 -14.610 3.578 -3.911 1.00 12.41 C ATOM 300 OD1 ASN A 19 -13.771 4.227 -4.529 1.00 31.11 O ATOM 301 ND2 ASN A 19 -15.700 3.129 -4.488 1.00 24.21 N ATOM 0 H ASN A 19 -14.035 2.554 -0.128 1.00 13.31 H new ATOM 0 HA ASN A 19 -13.949 1.231 -2.622 1.00 30.30 H new ATOM 0 HB2 ASN A 19 -15.446 3.156 -1.981 1.00 4.22 H new ATOM 0 HB3 ASN A 19 -14.043 4.206 -1.940 1.00 4.22 H new ATOM 0 HD21 ASN A 19 -15.868 3.317 -5.476 1.00 24.21 H new ATOM 0 HD22 ASN A 19 -16.379 2.592 -3.948 1.00 24.21 H new ATOM 308 N PHE A 20 -11.816 1.750 -3.695 1.00 31.23 N ATOM 309 CA PHE A 20 -10.506 1.814 -4.325 1.00 41.23 C ATOM 310 C PHE A 20 -9.989 3.247 -4.586 1.00 15.53 C ATOM 311 O PHE A 20 -8.796 3.505 -4.447 1.00 41.04 O ATOM 312 CB PHE A 20 -10.567 0.944 -5.587 1.00 5.14 C ATOM 313 CG PHE A 20 -9.473 1.095 -6.594 1.00 43.12 C ATOM 314 CD1 PHE A 20 -8.307 0.365 -6.488 1.00 43.43 C ATOM 315 CD2 PHE A 20 -9.638 1.939 -7.684 1.00 62.21 C ATOM 316 CE1 PHE A 20 -7.328 0.472 -7.445 1.00 11.25 C ATOM 317 CE2 PHE A 20 -8.659 2.057 -8.638 1.00 74.15 C ATOM 318 CZ PHE A 20 -7.506 1.323 -8.523 1.00 2.23 C ATOM 0 H PHE A 20 -12.470 1.154 -4.202 1.00 31.23 H new ATOM 0 HA PHE A 20 -9.758 1.424 -3.635 1.00 41.23 H new ATOM 0 HB2 PHE A 20 -10.591 -0.100 -5.273 1.00 5.14 H new ATOM 0 HB3 PHE A 20 -11.513 1.148 -6.088 1.00 5.14 H new ATOM 0 HD1 PHE A 20 -8.163 -0.296 -5.646 1.00 43.43 H new ATOM 0 HD2 PHE A 20 -10.549 2.510 -7.782 1.00 62.21 H new ATOM 0 HE1 PHE A 20 -6.420 -0.107 -7.357 1.00 11.25 H new ATOM 0 HE2 PHE A 20 -8.796 2.725 -9.476 1.00 74.15 H new ATOM 0 HZ PHE A 20 -6.735 1.409 -9.275 1.00 2.23 H new ATOM 328 N ASN A 21 -10.883 4.173 -4.893 1.00 1.02 N ATOM 329 CA ASN A 21 -10.473 5.550 -5.201 1.00 11.22 C ATOM 330 C ASN A 21 -9.898 6.235 -3.946 1.00 63.22 C ATOM 331 O ASN A 21 -8.796 6.798 -3.976 1.00 10.02 O ATOM 332 CB ASN A 21 -11.675 6.353 -5.768 1.00 33.15 C ATOM 333 CG ASN A 21 -11.327 7.753 -6.308 1.00 60.21 C ATOM 334 OD1 ASN A 21 -10.408 8.413 -5.857 1.00 31.21 O ATOM 335 ND2 ASN A 21 -12.081 8.208 -7.284 1.00 31.13 N ATOM 0 H ASN A 21 -11.889 4.008 -4.938 1.00 1.02 H new ATOM 0 HA ASN A 21 -9.690 5.522 -5.959 1.00 11.22 H new ATOM 0 HB2 ASN A 21 -12.133 5.774 -6.570 1.00 33.15 H new ATOM 0 HB3 ASN A 21 -12.424 6.459 -4.983 1.00 33.15 H new ATOM 0 HD21 ASN A 21 -11.902 9.131 -7.679 1.00 31.13 H new ATOM 0 HD22 ASN A 21 -12.845 7.638 -7.646 1.00 31.13 H new ATOM 342 N THR A 22 -10.608 6.137 -2.835 1.00 72.44 N ATOM 343 CA THR A 22 -10.186 6.811 -1.623 1.00 60.11 C ATOM 344 C THR A 22 -8.911 6.170 -1.018 1.00 33.20 C ATOM 345 O THR A 22 -8.001 6.883 -0.569 1.00 24.15 O ATOM 346 CB THR A 22 -11.352 6.963 -0.579 1.00 11.10 C ATOM 347 OG1 THR A 22 -10.912 7.669 0.583 1.00 43.53 O ATOM 348 CG2 THR A 22 -11.931 5.621 -0.164 1.00 32.13 C ATOM 0 H THR A 22 -11.472 5.602 -2.749 1.00 72.44 H new ATOM 0 HA THR A 22 -9.913 7.827 -1.907 1.00 60.11 H new ATOM 0 HB THR A 22 -12.137 7.534 -1.075 1.00 11.10 H new ATOM 0 HG1 THR A 22 -11.685 7.892 1.143 1.00 43.53 H new ATOM 0 HG21 THR A 22 -12.733 5.778 0.558 1.00 32.13 H new ATOM 0 HG22 THR A 22 -12.327 5.109 -1.041 1.00 32.13 H new ATOM 0 HG23 THR A 22 -11.149 5.012 0.289 1.00 32.13 H new ATOM 356 N VAL A 23 -8.813 4.840 -1.070 1.00 72.14 N ATOM 357 CA VAL A 23 -7.630 4.153 -0.553 1.00 73.35 C ATOM 358 C VAL A 23 -6.387 4.446 -1.396 1.00 64.14 C ATOM 359 O VAL A 23 -5.276 4.596 -0.849 1.00 14.14 O ATOM 360 CB VAL A 23 -7.863 2.617 -0.284 1.00 33.04 C ATOM 361 CG1 VAL A 23 -8.576 1.947 -1.420 1.00 54.24 C ATOM 362 CG2 VAL A 23 -6.566 1.879 0.016 1.00 31.24 C ATOM 0 H VAL A 23 -9.528 4.225 -1.459 1.00 72.14 H new ATOM 0 HA VAL A 23 -7.436 4.574 0.434 1.00 73.35 H new ATOM 0 HB VAL A 23 -8.497 2.566 0.601 1.00 33.04 H new ATOM 0 HG11 VAL A 23 -8.714 0.891 -1.190 1.00 54.24 H new ATOM 0 HG12 VAL A 23 -9.549 2.417 -1.567 1.00 54.24 H new ATOM 0 HG13 VAL A 23 -7.984 2.046 -2.330 1.00 54.24 H new ATOM 0 HG21 VAL A 23 -6.780 0.825 0.194 1.00 31.24 H new ATOM 0 HG22 VAL A 23 -5.889 1.973 -0.833 1.00 31.24 H new ATOM 0 HG23 VAL A 23 -6.099 2.309 0.902 1.00 31.24 H new ATOM 372 N TYR A 24 -6.575 4.583 -2.706 1.00 11.11 N ATOM 373 CA TYR A 24 -5.486 4.949 -3.604 1.00 14.14 C ATOM 374 C TYR A 24 -4.879 6.289 -3.190 1.00 75.43 C ATOM 375 O TYR A 24 -3.653 6.413 -3.048 1.00 73.11 O ATOM 376 CB TYR A 24 -6.002 5.017 -5.055 1.00 74.42 C ATOM 377 CG TYR A 24 -5.035 5.635 -6.047 1.00 43.45 C ATOM 378 CD1 TYR A 24 -3.860 4.994 -6.405 1.00 22.41 C ATOM 379 CD2 TYR A 24 -5.311 6.869 -6.631 1.00 33.04 C ATOM 380 CE1 TYR A 24 -2.987 5.561 -7.310 1.00 20.12 C ATOM 381 CE2 TYR A 24 -4.444 7.441 -7.534 1.00 45.43 C ATOM 382 CZ TYR A 24 -3.284 6.786 -7.869 1.00 24.11 C ATOM 383 OH TYR A 24 -2.417 7.345 -8.772 1.00 42.33 O ATOM 0 H TYR A 24 -7.473 4.446 -3.169 1.00 11.11 H new ATOM 0 HA TYR A 24 -4.708 4.188 -3.542 1.00 14.14 H new ATOM 0 HB2 TYR A 24 -6.245 4.008 -5.387 1.00 74.42 H new ATOM 0 HB3 TYR A 24 -6.930 5.589 -5.069 1.00 74.42 H new ATOM 0 HD1 TYR A 24 -3.624 4.035 -5.968 1.00 22.41 H new ATOM 0 HD2 TYR A 24 -6.222 7.387 -6.370 1.00 33.04 H new ATOM 0 HE1 TYR A 24 -2.076 5.048 -7.579 1.00 20.12 H new ATOM 0 HE2 TYR A 24 -4.674 8.399 -7.976 1.00 45.43 H new ATOM 0 HH TYR A 24 -1.510 7.015 -8.602 1.00 42.33 H new ATOM 393 N ASN A 25 -5.744 7.254 -2.939 1.00 2.53 N ATOM 394 CA ASN A 25 -5.324 8.578 -2.540 1.00 13.44 C ATOM 395 C ASN A 25 -4.662 8.576 -1.177 1.00 54.44 C ATOM 396 O ASN A 25 -3.581 9.128 -1.016 1.00 34.24 O ATOM 397 CB ASN A 25 -6.484 9.579 -2.585 1.00 35.50 C ATOM 398 CG ASN A 25 -6.856 10.010 -4.001 1.00 43.41 C ATOM 399 OD1 ASN A 25 -6.310 10.969 -4.527 1.00 63.42 O ATOM 400 ND2 ASN A 25 -7.781 9.319 -4.623 1.00 44.15 N ATOM 0 H ASN A 25 -6.755 7.139 -3.007 1.00 2.53 H new ATOM 0 HA ASN A 25 -4.578 8.901 -3.266 1.00 13.44 H new ATOM 0 HB2 ASN A 25 -7.357 9.134 -2.107 1.00 35.50 H new ATOM 0 HB3 ASN A 25 -6.216 10.461 -2.003 1.00 35.50 H new ATOM 0 HD21 ASN A 25 -8.061 9.577 -5.569 1.00 44.15 H new ATOM 0 HD22 ASN A 25 -8.220 8.523 -4.161 1.00 44.15 H new ATOM 407 N ALA A 26 -5.282 7.898 -0.217 1.00 41.22 N ATOM 408 CA ALA A 26 -4.784 7.854 1.162 1.00 63.42 C ATOM 409 C ALA A 26 -3.379 7.246 1.245 1.00 10.33 C ATOM 410 O ALA A 26 -2.506 7.778 1.938 1.00 64.23 O ATOM 411 CB ALA A 26 -5.751 7.082 2.045 1.00 44.02 C ATOM 0 H ALA A 26 -6.139 7.365 -0.367 1.00 41.22 H new ATOM 0 HA ALA A 26 -4.714 8.881 1.520 1.00 63.42 H new ATOM 0 HB1 ALA A 26 -5.370 7.056 3.066 1.00 44.02 H new ATOM 0 HB2 ALA A 26 -6.725 7.572 2.033 1.00 44.02 H new ATOM 0 HB3 ALA A 26 -5.852 6.064 1.670 1.00 44.02 H new ATOM 417 N THR A 27 -3.167 6.158 0.527 1.00 73.21 N ATOM 418 CA THR A 27 -1.873 5.491 0.497 1.00 72.24 C ATOM 419 C THR A 27 -0.812 6.422 -0.121 1.00 72.24 C ATOM 420 O THR A 27 0.317 6.536 0.380 1.00 44.04 O ATOM 421 CB THR A 27 -1.964 4.200 -0.335 1.00 75.32 C ATOM 422 OG1 THR A 27 -3.054 3.392 0.141 1.00 4.12 O ATOM 423 CG2 THR A 27 -0.669 3.404 -0.249 1.00 31.22 C ATOM 0 H THR A 27 -3.881 5.712 -0.049 1.00 73.21 H new ATOM 0 HA THR A 27 -1.585 5.243 1.519 1.00 72.24 H new ATOM 0 HB THR A 27 -2.134 4.475 -1.376 1.00 75.32 H new ATOM 0 HG1 THR A 27 -3.886 3.678 -0.290 1.00 4.12 H new ATOM 0 HG21 THR A 27 -0.760 2.496 -0.846 1.00 31.22 H new ATOM 0 HG22 THR A 27 0.155 4.008 -0.629 1.00 31.22 H new ATOM 0 HG23 THR A 27 -0.474 3.137 0.790 1.00 31.22 H new ATOM 431 N LEU A 28 -1.207 7.097 -1.194 1.00 5.40 N ATOM 432 CA LEU A 28 -0.357 8.044 -1.892 1.00 12.42 C ATOM 433 C LEU A 28 0.071 9.162 -0.934 1.00 54.33 C ATOM 434 O LEU A 28 1.255 9.470 -0.814 1.00 12.45 O ATOM 435 CB LEU A 28 -1.124 8.623 -3.089 1.00 23.23 C ATOM 436 CG LEU A 28 -0.383 9.632 -3.961 1.00 22.41 C ATOM 437 CD1 LEU A 28 0.799 8.978 -4.661 1.00 0.41 C ATOM 438 CD2 LEU A 28 -1.326 10.261 -4.971 1.00 14.11 C ATOM 0 H LEU A 28 -2.135 6.999 -1.605 1.00 5.40 H new ATOM 0 HA LEU A 28 0.539 7.540 -2.254 1.00 12.42 H new ATOM 0 HB2 LEU A 28 -1.440 7.794 -3.723 1.00 23.23 H new ATOM 0 HB3 LEU A 28 -2.029 9.100 -2.713 1.00 23.23 H new ATOM 0 HG LEU A 28 0.002 10.421 -3.315 1.00 22.41 H new ATOM 0 HD11 LEU A 28 1.312 9.717 -5.277 1.00 0.41 H new ATOM 0 HD12 LEU A 28 1.490 8.584 -3.916 1.00 0.41 H new ATOM 0 HD13 LEU A 28 0.443 8.164 -5.292 1.00 0.41 H new ATOM 0 HD21 LEU A 28 -0.778 10.978 -5.583 1.00 14.11 H new ATOM 0 HD22 LEU A 28 -1.746 9.484 -5.610 1.00 14.11 H new ATOM 0 HD23 LEU A 28 -2.132 10.774 -4.446 1.00 14.11 H new ATOM 450 N GLN A 29 -0.908 9.727 -0.240 1.00 33.50 N ATOM 451 CA GLN A 29 -0.692 10.788 0.752 1.00 70.43 C ATOM 452 C GLN A 29 0.308 10.360 1.824 1.00 12.44 C ATOM 453 O GLN A 29 1.206 11.121 2.178 1.00 54.11 O ATOM 454 CB GLN A 29 -1.996 11.147 1.457 1.00 63.34 C ATOM 455 CG GLN A 29 -3.085 11.737 0.581 1.00 15.55 C ATOM 456 CD GLN A 29 -4.364 11.988 1.369 1.00 54.42 C ATOM 457 OE1 GLN A 29 -5.465 11.918 0.835 1.00 44.04 O ATOM 458 NE2 GLN A 29 -4.224 12.290 2.642 1.00 74.21 N ATOM 0 H GLN A 29 -1.888 9.463 -0.346 1.00 33.50 H new ATOM 0 HA GLN A 29 -0.303 11.647 0.205 1.00 70.43 H new ATOM 0 HB2 GLN A 29 -2.388 10.248 1.934 1.00 63.34 H new ATOM 0 HB3 GLN A 29 -1.772 11.858 2.252 1.00 63.34 H new ATOM 0 HG2 GLN A 29 -2.735 12.673 0.146 1.00 15.55 H new ATOM 0 HG3 GLN A 29 -3.294 11.059 -0.247 1.00 15.55 H new ATOM 0 HE21 GLN A 29 -3.293 12.340 3.055 1.00 74.21 H new ATOM 0 HE22 GLN A 29 -5.047 12.474 3.216 1.00 74.21 H new ATOM 467 N ALA A 30 0.160 9.131 2.305 1.00 54.42 N ATOM 468 CA ALA A 30 0.974 8.606 3.393 1.00 51.31 C ATOM 469 C ALA A 30 2.461 8.663 3.067 1.00 3.31 C ATOM 470 O ALA A 30 3.268 9.117 3.890 1.00 31.51 O ATOM 471 CB ALA A 30 0.560 7.169 3.730 1.00 61.31 C ATOM 0 H ALA A 30 -0.530 8.469 1.950 1.00 54.42 H new ATOM 0 HA ALA A 30 0.801 9.239 4.263 1.00 51.31 H new ATOM 0 HB1 ALA A 30 1.179 6.794 4.545 1.00 61.31 H new ATOM 0 HB2 ALA A 30 -0.487 7.154 4.033 1.00 61.31 H new ATOM 0 HB3 ALA A 30 0.693 6.537 2.852 1.00 61.31 H new ATOM 477 N ILE A 31 2.815 8.239 1.879 1.00 75.03 N ATOM 478 CA ILE A 31 4.205 8.211 1.483 1.00 64.54 C ATOM 479 C ILE A 31 4.687 9.567 0.894 1.00 3.53 C ATOM 480 O ILE A 31 5.754 10.052 1.260 1.00 1.04 O ATOM 481 CB ILE A 31 4.511 6.984 0.554 1.00 14.21 C ATOM 482 CG1 ILE A 31 6.008 6.865 0.211 1.00 34.34 C ATOM 483 CG2 ILE A 31 3.655 6.999 -0.711 1.00 31.02 C ATOM 484 CD1 ILE A 31 6.353 5.571 -0.504 1.00 44.43 C ATOM 0 H ILE A 31 2.162 7.908 1.169 1.00 75.03 H new ATOM 0 HA ILE A 31 4.797 8.069 2.387 1.00 64.54 H new ATOM 0 HB ILE A 31 4.242 6.095 1.125 1.00 14.21 H new ATOM 0 HG12 ILE A 31 6.299 7.708 -0.415 1.00 34.34 H new ATOM 0 HG13 ILE A 31 6.592 6.933 1.129 1.00 34.34 H new ATOM 0 HG21 ILE A 31 3.899 6.132 -1.326 1.00 31.02 H new ATOM 0 HG22 ILE A 31 2.601 6.965 -0.437 1.00 31.02 H new ATOM 0 HG23 ILE A 31 3.854 7.911 -1.274 1.00 31.02 H new ATOM 0 HD11 ILE A 31 7.422 5.547 -0.718 1.00 44.43 H new ATOM 0 HD12 ILE A 31 6.091 4.724 0.130 1.00 44.43 H new ATOM 0 HD13 ILE A 31 5.794 5.511 -1.438 1.00 44.43 H new ATOM 496 N GLN A 32 3.857 10.205 0.060 1.00 73.42 N ATOM 497 CA GLN A 32 4.221 11.476 -0.610 1.00 34.10 C ATOM 498 C GLN A 32 4.317 12.655 0.332 1.00 44.50 C ATOM 499 O GLN A 32 5.215 13.477 0.204 1.00 2.14 O ATOM 500 CB GLN A 32 3.245 11.818 -1.736 1.00 53.24 C ATOM 501 CG GLN A 32 3.434 11.009 -2.995 1.00 70.22 C ATOM 502 CD GLN A 32 4.758 11.311 -3.673 1.00 62.32 C ATOM 503 OE1 GLN A 32 5.767 10.686 -3.405 1.00 60.32 O ATOM 504 NE2 GLN A 32 4.758 12.275 -4.556 1.00 61.13 N ATOM 0 H GLN A 32 2.923 9.866 -0.173 1.00 73.42 H new ATOM 0 HA GLN A 32 5.215 11.299 -1.020 1.00 34.10 H new ATOM 0 HB2 GLN A 32 2.227 11.671 -1.374 1.00 53.24 H new ATOM 0 HB3 GLN A 32 3.348 12.875 -1.980 1.00 53.24 H new ATOM 0 HG2 GLN A 32 3.384 9.947 -2.754 1.00 70.22 H new ATOM 0 HG3 GLN A 32 2.617 11.218 -3.686 1.00 70.22 H new ATOM 0 HE21 GLN A 32 3.896 12.781 -4.759 1.00 61.13 H new ATOM 0 HE22 GLN A 32 5.620 12.521 -5.042 1.00 61.13 H new ATOM 513 N ASN A 33 3.411 12.741 1.280 1.00 23.22 N ATOM 514 CA ASN A 33 3.384 13.895 2.182 1.00 50.23 C ATOM 515 C ASN A 33 4.334 13.692 3.342 1.00 15.02 C ATOM 516 O ASN A 33 4.453 14.551 4.210 1.00 64.50 O ATOM 517 CB ASN A 33 1.969 14.166 2.726 1.00 20.23 C ATOM 518 CG ASN A 33 0.930 14.495 1.670 1.00 50.03 C ATOM 519 OD1 ASN A 33 1.224 15.059 0.627 1.00 15.33 O ATOM 520 ND2 ASN A 33 -0.303 14.127 1.936 1.00 2.50 N ATOM 0 H ASN A 33 2.688 12.042 1.454 1.00 23.22 H new ATOM 0 HA ASN A 33 3.700 14.759 1.598 1.00 50.23 H new ATOM 0 HB2 ASN A 33 1.636 13.290 3.282 1.00 20.23 H new ATOM 0 HB3 ASN A 33 2.020 14.993 3.434 1.00 20.23 H new ATOM 0 HD21 ASN A 33 -1.047 14.311 1.262 1.00 2.50 H new ATOM 0 HD22 ASN A 33 -0.517 13.658 2.816 1.00 2.50 H new ATOM 527 N GLY A 34 5.006 12.546 3.350 1.00 14.23 N ATOM 528 CA GLY A 34 5.919 12.227 4.419 1.00 11.32 C ATOM 529 C GLY A 34 5.195 11.996 5.722 1.00 63.31 C ATOM 530 O GLY A 34 5.700 12.323 6.788 1.00 60.50 O ATOM 0 H GLY A 34 4.930 11.831 2.627 1.00 14.23 H new ATOM 0 HA2 GLY A 34 6.489 11.336 4.157 1.00 11.32 H new ATOM 0 HA3 GLY A 34 6.635 13.039 4.540 1.00 11.32 H new ATOM 534 N GLN A 35 4.011 11.394 5.634 1.00 40.43 N ATOM 535 CA GLN A 35 3.192 11.139 6.814 1.00 41.34 C ATOM 536 C GLN A 35 3.746 9.958 7.581 1.00 21.45 C ATOM 537 O GLN A 35 3.388 9.717 8.732 1.00 31.21 O ATOM 538 CB GLN A 35 1.727 10.890 6.431 1.00 3.23 C ATOM 539 CG GLN A 35 1.098 12.041 5.660 1.00 5.30 C ATOM 540 CD GLN A 35 -0.372 11.836 5.309 1.00 21.43 C ATOM 541 OE1 GLN A 35 -0.858 12.348 4.298 1.00 34.53 O ATOM 542 NE2 GLN A 35 -1.090 11.104 6.125 1.00 23.45 N ATOM 0 H GLN A 35 3.598 11.074 4.758 1.00 40.43 H new ATOM 0 HA GLN A 35 3.223 12.024 7.450 1.00 41.34 H new ATOM 0 HB2 GLN A 35 1.666 9.983 5.829 1.00 3.23 H new ATOM 0 HB3 GLN A 35 1.148 10.711 7.337 1.00 3.23 H new ATOM 0 HG2 GLN A 35 1.194 12.953 6.250 1.00 5.30 H new ATOM 0 HG3 GLN A 35 1.661 12.196 4.739 1.00 5.30 H new ATOM 0 HE21 GLN A 35 -0.660 10.693 6.954 1.00 23.45 H new ATOM 0 HE22 GLN A 35 -2.079 10.945 5.931 1.00 23.45 H new ATOM 551 N THR A 36 4.592 9.208 6.927 1.00 50.42 N ATOM 552 CA THR A 36 5.258 8.130 7.540 1.00 72.34 C ATOM 553 C THR A 36 6.540 7.830 6.752 1.00 30.53 C ATOM 554 O THR A 36 6.526 7.748 5.521 1.00 1.53 O ATOM 555 CB THR A 36 4.319 6.869 7.666 1.00 22.33 C ATOM 556 OG1 THR A 36 4.938 5.849 8.468 1.00 0.32 O ATOM 557 CG2 THR A 36 3.930 6.285 6.303 1.00 35.25 C ATOM 0 H THR A 36 4.829 9.344 5.944 1.00 50.42 H new ATOM 0 HA THR A 36 5.531 8.399 8.560 1.00 72.34 H new ATOM 0 HB THR A 36 3.406 7.213 8.152 1.00 22.33 H new ATOM 0 HG1 THR A 36 4.259 5.206 8.762 1.00 0.32 H new ATOM 0 HG21 THR A 36 3.284 5.420 6.449 1.00 35.25 H new ATOM 0 HG22 THR A 36 3.400 7.040 5.722 1.00 35.25 H new ATOM 0 HG23 THR A 36 4.829 5.980 5.768 1.00 35.25 H new ATOM 565 N PHE A 37 7.640 7.747 7.455 1.00 42.01 N ATOM 566 CA PHE A 37 8.908 7.402 6.856 1.00 51.55 C ATOM 567 C PHE A 37 9.176 5.964 7.176 1.00 35.52 C ATOM 568 O PHE A 37 8.638 5.451 8.169 1.00 52.43 O ATOM 569 CB PHE A 37 10.031 8.308 7.373 1.00 53.41 C ATOM 570 CG PHE A 37 9.838 9.755 7.011 1.00 40.34 C ATOM 571 CD1 PHE A 37 10.206 10.222 5.758 1.00 32.02 C ATOM 572 CD2 PHE A 37 9.278 10.646 7.915 1.00 43.42 C ATOM 573 CE1 PHE A 37 10.024 11.545 5.413 1.00 71.10 C ATOM 574 CE2 PHE A 37 9.092 11.973 7.575 1.00 22.11 C ATOM 575 CZ PHE A 37 9.464 12.424 6.322 1.00 20.55 C ATOM 0 H PHE A 37 7.684 7.916 8.460 1.00 42.01 H new ATOM 0 HA PHE A 37 8.870 7.548 5.776 1.00 51.55 H new ATOM 0 HB2 PHE A 37 10.093 8.216 8.457 1.00 53.41 H new ATOM 0 HB3 PHE A 37 10.983 7.963 6.969 1.00 53.41 H new ATOM 0 HD1 PHE A 37 10.641 9.540 5.042 1.00 32.02 H new ATOM 0 HD2 PHE A 37 8.984 10.299 8.895 1.00 43.42 H new ATOM 0 HE1 PHE A 37 10.318 11.894 4.434 1.00 71.10 H new ATOM 0 HE2 PHE A 37 8.656 12.657 8.288 1.00 22.11 H new ATOM 0 HZ PHE A 37 9.318 13.460 6.054 1.00 20.55 H new ATOM 585 N ASP A 38 9.974 5.301 6.377 1.00 55.13 N ATOM 586 CA ASP A 38 10.132 3.877 6.561 1.00 43.50 C ATOM 587 C ASP A 38 11.199 3.544 7.599 1.00 3.42 C ATOM 588 O ASP A 38 11.988 4.409 7.993 1.00 73.55 O ATOM 589 CB ASP A 38 10.366 3.146 5.243 1.00 31.52 C ATOM 590 CG ASP A 38 9.715 1.788 5.292 1.00 13.44 C ATOM 591 OD1 ASP A 38 10.240 0.893 5.959 1.00 60.04 O ATOM 592 OD2 ASP A 38 8.557 1.675 4.811 1.00 2.12 O ATOM 0 H ASP A 38 10.512 5.709 5.612 1.00 55.13 H new ATOM 0 HA ASP A 38 9.185 3.510 6.957 1.00 43.50 H new ATOM 0 HB2 ASP A 38 9.956 3.727 4.416 1.00 31.52 H new ATOM 0 HB3 ASP A 38 11.435 3.041 5.059 1.00 31.52 H new ATOM 597 N TYR A 39 11.253 2.280 7.981 1.00 40.42 N ATOM 598 CA TYR A 39 12.065 1.793 9.091 1.00 22.32 C ATOM 599 C TYR A 39 13.557 1.873 8.790 1.00 2.34 C ATOM 600 O TYR A 39 14.376 2.023 9.692 1.00 72.11 O ATOM 601 CB TYR A 39 11.653 0.337 9.415 1.00 20.31 C ATOM 602 CG TYR A 39 12.407 -0.314 10.561 1.00 23.33 C ATOM 603 CD1 TYR A 39 12.068 -0.050 11.881 1.00 12.51 C ATOM 604 CD2 TYR A 39 13.459 -1.192 10.318 1.00 40.24 C ATOM 605 CE1 TYR A 39 12.754 -0.639 12.925 1.00 23.45 C ATOM 606 CE2 TYR A 39 14.149 -1.783 11.356 1.00 32.33 C ATOM 607 CZ TYR A 39 13.793 -1.504 12.658 1.00 61.33 C ATOM 608 OH TYR A 39 14.481 -2.093 13.694 1.00 30.00 O ATOM 0 H TYR A 39 10.721 1.543 7.519 1.00 40.42 H new ATOM 0 HA TYR A 39 11.885 2.433 9.955 1.00 22.32 H new ATOM 0 HB2 TYR A 39 10.588 0.322 9.648 1.00 20.31 H new ATOM 0 HB3 TYR A 39 11.792 -0.270 8.520 1.00 20.31 H new ATOM 0 HD1 TYR A 39 11.254 0.627 12.095 1.00 12.51 H new ATOM 0 HD2 TYR A 39 13.740 -1.414 9.299 1.00 40.24 H new ATOM 0 HE1 TYR A 39 12.477 -0.423 13.946 1.00 23.45 H new ATOM 0 HE2 TYR A 39 14.964 -2.461 11.150 1.00 32.33 H new ATOM 0 HH TYR A 39 15.181 -2.675 13.332 1.00 30.00 H new ATOM 618 N LYS A 40 13.904 1.795 7.539 1.00 53.44 N ATOM 619 CA LYS A 40 15.302 1.827 7.158 1.00 74.21 C ATOM 620 C LYS A 40 15.645 3.125 6.451 1.00 0.53 C ATOM 621 O LYS A 40 16.754 3.287 5.954 1.00 23.25 O ATOM 622 CB LYS A 40 15.626 0.621 6.282 1.00 63.24 C ATOM 623 CG LYS A 40 14.804 0.564 5.014 1.00 21.04 C ATOM 624 CD LYS A 40 14.963 -0.746 4.269 1.00 62.54 C ATOM 625 CE LYS A 40 16.369 -1.006 3.766 1.00 41.23 C ATOM 626 NZ LYS A 40 16.452 -2.337 3.139 1.00 33.43 N ATOM 0 H LYS A 40 13.249 1.709 6.762 1.00 53.44 H new ATOM 0 HA LYS A 40 15.912 1.777 8.060 1.00 74.21 H new ATOM 0 HB2 LYS A 40 16.684 0.645 6.020 1.00 63.24 H new ATOM 0 HB3 LYS A 40 15.460 -0.291 6.856 1.00 63.24 H new ATOM 0 HG2 LYS A 40 13.753 0.711 5.261 1.00 21.04 H new ATOM 0 HG3 LYS A 40 15.095 1.386 4.360 1.00 21.04 H new ATOM 0 HD2 LYS A 40 14.667 -1.564 4.926 1.00 62.54 H new ATOM 0 HD3 LYS A 40 14.278 -0.755 3.421 1.00 62.54 H new ATOM 0 HE2 LYS A 40 16.652 -0.239 3.045 1.00 41.23 H new ATOM 0 HE3 LYS A 40 17.076 -0.942 4.593 1.00 41.23 H new ATOM 0 HZ1 LYS A 40 17.372 -2.441 2.666 1.00 33.43 H new ATOM 0 HZ2 LYS A 40 16.353 -3.071 3.869 1.00 33.43 H new ATOM 0 HZ3 LYS A 40 15.690 -2.439 2.439 1.00 33.43 H new ATOM 640 N SER A 41 14.675 4.046 6.421 1.00 72.22 N ATOM 641 CA SER A 41 14.821 5.356 5.782 1.00 11.32 C ATOM 642 C SER A 41 15.167 5.215 4.277 1.00 23.43 C ATOM 643 O SER A 41 15.791 6.097 3.681 1.00 1.40 O ATOM 644 CB SER A 41 15.883 6.202 6.537 1.00 20.33 C ATOM 645 OG SER A 41 15.974 7.518 6.015 1.00 14.03 O ATOM 0 H SER A 41 13.758 3.900 6.844 1.00 72.22 H new ATOM 0 HA SER A 41 13.866 5.878 5.839 1.00 11.32 H new ATOM 0 HB2 SER A 41 15.627 6.247 7.595 1.00 20.33 H new ATOM 0 HB3 SER A 41 16.855 5.714 6.465 1.00 20.33 H new ATOM 0 HG SER A 41 16.008 7.480 5.036 1.00 14.03 H new ATOM 651 N ASN A 42 14.700 4.137 3.669 1.00 22.10 N ATOM 652 CA ASN A 42 14.935 3.880 2.257 1.00 32.10 C ATOM 653 C ASN A 42 14.080 4.813 1.416 1.00 60.13 C ATOM 654 O ASN A 42 12.997 5.210 1.863 1.00 2.53 O ATOM 655 CB ASN A 42 14.667 2.400 1.874 1.00 74.23 C ATOM 656 CG ASN A 42 13.251 1.908 2.167 1.00 10.41 C ATOM 657 OD1 ASN A 42 12.612 2.355 3.105 1.00 72.55 O ATOM 658 ND2 ASN A 42 12.774 0.977 1.381 1.00 63.53 N ATOM 0 H ASN A 42 14.149 3.418 4.138 1.00 22.10 H new ATOM 0 HA ASN A 42 15.989 4.071 2.056 1.00 32.10 H new ATOM 0 HB2 ASN A 42 14.868 2.273 0.810 1.00 74.23 H new ATOM 0 HB3 ASN A 42 15.374 1.767 2.410 1.00 74.23 H new ATOM 0 HD21 ASN A 42 11.840 0.602 1.544 1.00 63.53 H new ATOM 0 HD22 ASN A 42 13.337 0.627 0.606 1.00 63.53 H new ATOM 665 N PRO A 43 14.600 5.245 0.231 1.00 0.32 N ATOM 666 CA PRO A 43 13.896 6.141 -0.699 1.00 53.20 C ATOM 667 C PRO A 43 12.395 5.861 -0.816 1.00 52.53 C ATOM 668 O PRO A 43 11.955 4.779 -1.245 1.00 25.13 O ATOM 669 CB PRO A 43 14.602 5.882 -2.018 1.00 75.44 C ATOM 670 CG PRO A 43 16.011 5.624 -1.623 1.00 1.52 C ATOM 671 CD PRO A 43 15.957 4.926 -0.282 1.00 73.40 C ATOM 0 HA PRO A 43 13.935 7.177 -0.362 1.00 53.20 H new ATOM 0 HB2 PRO A 43 14.171 5.029 -2.541 1.00 75.44 H new ATOM 0 HB3 PRO A 43 14.525 6.739 -2.688 1.00 75.44 H new ATOM 0 HG2 PRO A 43 16.515 5.003 -2.364 1.00 1.52 H new ATOM 0 HG3 PRO A 43 16.572 6.556 -1.554 1.00 1.52 H new ATOM 0 HD2 PRO A 43 16.103 3.851 -0.385 1.00 73.40 H new ATOM 0 HD3 PRO A 43 16.734 5.290 0.390 1.00 73.40 H new ATOM 679 N TYR A 44 11.640 6.850 -0.428 1.00 42.20 N ATOM 680 CA TYR A 44 10.190 6.830 -0.406 1.00 73.21 C ATOM 681 C TYR A 44 9.656 7.393 -1.701 1.00 41.53 C ATOM 682 O TYR A 44 8.460 7.380 -1.980 1.00 53.01 O ATOM 683 CB TYR A 44 9.635 7.586 0.821 1.00 72.31 C ATOM 684 CG TYR A 44 10.131 9.015 0.996 1.00 62.43 C ATOM 685 CD1 TYR A 44 9.527 10.078 0.331 1.00 51.11 C ATOM 686 CD2 TYR A 44 11.194 9.296 1.846 1.00 72.21 C ATOM 687 CE1 TYR A 44 9.972 11.374 0.506 1.00 51.34 C ATOM 688 CE2 TYR A 44 11.639 10.589 2.031 1.00 3.00 C ATOM 689 CZ TYR A 44 11.027 11.624 1.360 1.00 64.32 C ATOM 690 OH TYR A 44 11.465 12.918 1.548 1.00 13.34 O ATOM 0 H TYR A 44 12.028 7.735 -0.102 1.00 42.20 H new ATOM 0 HA TYR A 44 9.852 5.798 -0.314 1.00 73.21 H new ATOM 0 HB2 TYR A 44 8.547 7.604 0.752 1.00 72.31 H new ATOM 0 HB3 TYR A 44 9.888 7.021 1.718 1.00 72.31 H new ATOM 0 HD1 TYR A 44 8.697 9.887 -0.333 1.00 51.11 H new ATOM 0 HD2 TYR A 44 11.681 8.488 2.371 1.00 72.21 H new ATOM 0 HE1 TYR A 44 9.497 12.187 -0.023 1.00 51.34 H new ATOM 0 HE2 TYR A 44 12.464 10.788 2.699 1.00 3.00 H new ATOM 0 HH TYR A 44 12.214 12.921 2.180 1.00 13.34 H new ATOM 700 N ASP A 45 10.570 7.815 -2.497 1.00 74.01 N ATOM 701 CA ASP A 45 10.325 8.558 -3.687 1.00 45.22 C ATOM 702 C ASP A 45 9.844 7.600 -4.741 1.00 3.41 C ATOM 703 O ASP A 45 10.551 6.667 -5.174 1.00 53.42 O ATOM 704 CB ASP A 45 11.648 9.188 -4.145 1.00 31.21 C ATOM 705 CG ASP A 45 12.375 9.906 -3.019 1.00 62.33 C ATOM 706 OD1 ASP A 45 12.941 9.193 -2.121 1.00 50.51 O ATOM 707 OD2 ASP A 45 12.369 11.143 -2.998 1.00 0.15 O ATOM 0 H ASP A 45 11.562 7.644 -2.331 1.00 74.01 H new ATOM 0 HA ASP A 45 9.582 9.337 -3.516 1.00 45.22 H new ATOM 0 HB2 ASP A 45 12.294 8.411 -4.552 1.00 31.21 H new ATOM 0 HB3 ASP A 45 11.450 9.893 -4.952 1.00 31.21 H new ATOM 712 N ILE A 46 8.611 7.815 -5.096 1.00 3.42 N ATOM 713 CA ILE A 46 7.864 6.972 -5.980 1.00 44.13 C ATOM 714 C ILE A 46 8.449 6.991 -7.382 1.00 35.34 C ATOM 715 O ILE A 46 8.548 8.035 -8.017 1.00 13.23 O ATOM 716 CB ILE A 46 6.379 7.417 -5.993 1.00 22.42 C ATOM 717 CG1 ILE A 46 5.820 7.377 -4.560 1.00 13.11 C ATOM 718 CG2 ILE A 46 5.556 6.528 -6.911 1.00 61.44 C ATOM 719 CD1 ILE A 46 4.396 7.862 -4.427 1.00 13.42 C ATOM 0 H ILE A 46 8.077 8.617 -4.762 1.00 3.42 H new ATOM 0 HA ILE A 46 7.923 5.946 -5.617 1.00 44.13 H new ATOM 0 HB ILE A 46 6.319 8.436 -6.374 1.00 22.42 H new ATOM 0 HG12 ILE A 46 5.877 6.353 -4.190 1.00 13.11 H new ATOM 0 HG13 ILE A 46 6.458 7.984 -3.918 1.00 13.11 H new ATOM 0 HG21 ILE A 46 4.518 6.860 -6.904 1.00 61.44 H new ATOM 0 HG22 ILE A 46 5.949 6.589 -7.926 1.00 61.44 H new ATOM 0 HG23 ILE A 46 5.610 5.497 -6.563 1.00 61.44 H new ATOM 0 HD11 ILE A 46 4.086 7.798 -3.384 1.00 13.42 H new ATOM 0 HD12 ILE A 46 4.331 8.897 -4.762 1.00 13.42 H new ATOM 0 HD13 ILE A 46 3.741 7.241 -5.039 1.00 13.42 H new ATOM 731 N SER A 47 8.826 5.828 -7.841 1.00 71.33 N ATOM 732 CA SER A 47 9.438 5.672 -9.121 1.00 63.41 C ATOM 733 C SER A 47 8.368 5.330 -10.171 1.00 3.21 C ATOM 734 O SER A 47 8.501 5.683 -11.336 1.00 63.02 O ATOM 735 CB SER A 47 10.470 4.563 -9.004 1.00 54.14 C ATOM 736 OG SER A 47 11.275 4.779 -7.843 1.00 12.14 O ATOM 0 H SER A 47 8.713 4.955 -7.326 1.00 71.33 H new ATOM 0 HA SER A 47 9.925 6.594 -9.439 1.00 63.41 H new ATOM 0 HB2 SER A 47 9.973 3.595 -8.940 1.00 54.14 H new ATOM 0 HB3 SER A 47 11.097 4.541 -9.895 1.00 54.14 H new ATOM 0 HG SER A 47 12.172 4.413 -7.994 1.00 12.14 H new ATOM 742 N VAL A 48 7.286 4.661 -9.744 1.00 52.24 N ATOM 743 CA VAL A 48 6.146 4.443 -10.629 1.00 24.03 C ATOM 744 C VAL A 48 4.873 4.637 -9.837 1.00 54.04 C ATOM 745 O VAL A 48 4.687 4.043 -8.772 1.00 22.12 O ATOM 746 CB VAL A 48 6.118 2.977 -11.222 1.00 10.04 C ATOM 747 CG1 VAL A 48 4.851 2.722 -12.057 1.00 4.41 C ATOM 748 CG2 VAL A 48 7.358 2.677 -12.056 1.00 43.12 C ATOM 0 H VAL A 48 7.182 4.270 -8.808 1.00 52.24 H new ATOM 0 HA VAL A 48 6.232 5.151 -11.453 1.00 24.03 H new ATOM 0 HB VAL A 48 6.109 2.302 -10.366 1.00 10.04 H new ATOM 0 HG11 VAL A 48 4.871 1.704 -12.446 1.00 4.41 H new ATOM 0 HG12 VAL A 48 3.969 2.854 -11.430 1.00 4.41 H new ATOM 0 HG13 VAL A 48 4.814 3.427 -12.887 1.00 4.41 H new ATOM 0 HG21 VAL A 48 7.298 1.660 -12.444 1.00 43.12 H new ATOM 0 HG22 VAL A 48 7.416 3.380 -12.887 1.00 43.12 H new ATOM 0 HG23 VAL A 48 8.248 2.776 -11.434 1.00 43.12 H new ATOM 758 N ASN A 49 4.027 5.463 -10.351 1.00 2.44 N ATOM 759 CA ASN A 49 2.697 5.671 -9.860 1.00 41.21 C ATOM 760 C ASN A 49 1.742 5.346 -10.971 1.00 71.35 C ATOM 761 O ASN A 49 1.796 6.010 -12.000 1.00 21.21 O ATOM 762 CB ASN A 49 2.511 7.126 -9.363 1.00 12.54 C ATOM 763 CG ASN A 49 1.056 7.514 -9.044 1.00 34.00 C ATOM 764 OD1 ASN A 49 0.249 6.579 -8.592 1.00 55.40 O flip ATOM 765 ND2 ASN A 49 0.679 8.668 -9.176 1.00 15.41 N flip ATOM 0 H ASN A 49 4.249 6.041 -11.162 1.00 2.44 H new ATOM 0 HA ASN A 49 2.504 5.023 -9.005 1.00 41.21 H new ATOM 0 HB2 ASN A 49 3.116 7.270 -8.468 1.00 12.54 H new ATOM 0 HB3 ASN A 49 2.897 7.807 -10.122 1.00 12.54 H new ATOM 0 HD21 ASN A 49 1.322 9.377 -9.528 1.00 15.41 H new ATOM 0 HD22 ASN A 49 -0.279 8.923 -8.934 1.00 15.41 H new ATOM 772 N LYS A 50 0.930 4.329 -10.848 1.00 65.43 N ATOM 773 CA LYS A 50 -0.058 4.142 -11.847 1.00 3.15 C ATOM 774 C LYS A 50 -1.375 3.664 -11.318 1.00 50.35 C ATOM 775 O LYS A 50 -1.442 2.893 -10.347 1.00 70.12 O ATOM 776 CB LYS A 50 0.434 3.281 -13.017 1.00 1.54 C ATOM 777 CG LYS A 50 1.237 2.030 -12.693 1.00 22.11 C ATOM 778 CD LYS A 50 0.392 0.929 -12.080 1.00 34.41 C ATOM 779 CE LYS A 50 1.174 -0.357 -11.940 1.00 4.42 C ATOM 780 NZ LYS A 50 0.353 -1.477 -11.374 1.00 50.31 N ATOM 0 H LYS A 50 0.939 3.646 -10.091 1.00 65.43 H new ATOM 0 HA LYS A 50 -0.243 5.141 -12.241 1.00 3.15 H new ATOM 0 HB2 LYS A 50 -0.437 2.978 -13.598 1.00 1.54 H new ATOM 0 HB3 LYS A 50 1.044 3.912 -13.663 1.00 1.54 H new ATOM 0 HG2 LYS A 50 1.704 1.658 -13.605 1.00 22.11 H new ATOM 0 HG3 LYS A 50 2.042 2.289 -12.005 1.00 22.11 H new ATOM 0 HD2 LYS A 50 0.034 1.246 -11.101 1.00 34.41 H new ATOM 0 HD3 LYS A 50 -0.487 0.756 -12.700 1.00 34.41 H new ATOM 0 HE2 LYS A 50 1.558 -0.652 -12.917 1.00 4.42 H new ATOM 0 HE3 LYS A 50 2.037 -0.184 -11.297 1.00 4.42 H new ATOM 0 HZ1 LYS A 50 0.859 -1.909 -10.575 1.00 50.31 H new ATOM 0 HZ2 LYS A 50 -0.561 -1.106 -11.045 1.00 50.31 H new ATOM 0 HZ3 LYS A 50 0.191 -2.194 -12.109 1.00 50.31 H new ATOM 794 N ASN A 51 -2.405 4.164 -11.929 1.00 55.21 N ATOM 795 CA ASN A 51 -3.754 3.732 -11.702 1.00 13.41 C ATOM 796 C ASN A 51 -4.227 2.996 -12.935 1.00 73.45 C ATOM 797 O ASN A 51 -3.858 3.359 -14.047 1.00 15.04 O ATOM 798 CB ASN A 51 -4.698 4.919 -11.380 1.00 10.43 C ATOM 799 CG ASN A 51 -4.838 5.934 -12.517 1.00 2.30 C ATOM 800 OD1 ASN A 51 -4.068 6.872 -12.615 1.00 12.50 O ATOM 801 ND2 ASN A 51 -5.833 5.763 -13.363 1.00 51.21 N ATOM 0 H ASN A 51 -2.329 4.908 -12.622 1.00 55.21 H new ATOM 0 HA ASN A 51 -3.775 3.074 -10.833 1.00 13.41 H new ATOM 0 HB2 ASN A 51 -5.685 4.528 -11.134 1.00 10.43 H new ATOM 0 HB3 ASN A 51 -4.328 5.433 -10.493 1.00 10.43 H new ATOM 0 HD21 ASN A 51 -5.974 6.426 -14.125 1.00 51.21 H new ATOM 0 HD22 ASN A 51 -6.462 4.967 -13.256 1.00 51.21 H new ATOM 808 N ASN A 52 -4.975 1.965 -12.751 1.00 34.33 N ATOM 809 CA ASN A 52 -5.577 1.248 -13.867 1.00 71.25 C ATOM 810 C ASN A 52 -7.076 1.403 -13.744 1.00 11.52 C ATOM 811 O ASN A 52 -7.746 1.943 -14.610 1.00 44.03 O ATOM 812 CB ASN A 52 -5.207 -0.241 -13.774 1.00 65.34 C ATOM 813 CG ASN A 52 -5.692 -1.131 -14.926 1.00 4.53 C ATOM 814 OD1 ASN A 52 -6.679 -0.853 -15.594 1.00 52.45 O ATOM 815 ND2 ASN A 52 -5.058 -2.256 -15.074 1.00 54.04 N ATOM 0 H ASN A 52 -5.198 1.580 -11.833 1.00 34.33 H new ATOM 0 HA ASN A 52 -5.223 1.641 -14.820 1.00 71.25 H new ATOM 0 HB2 ASN A 52 -4.122 -0.321 -13.712 1.00 65.34 H new ATOM 0 HB3 ASN A 52 -5.610 -0.637 -12.842 1.00 65.34 H new ATOM 0 HD21 ASN A 52 -5.380 -2.936 -15.762 1.00 54.04 H new ATOM 0 HD22 ASN A 52 -4.238 -2.458 -14.502 1.00 54.04 H new ATOM 822 N GLY A 53 -7.569 0.998 -12.603 1.00 72.20 N ATOM 823 CA GLY A 53 -8.981 1.001 -12.345 1.00 44.32 C ATOM 824 C GLY A 53 -9.343 -0.281 -11.675 1.00 65.03 C ATOM 825 O GLY A 53 -10.170 -0.329 -10.772 1.00 42.13 O ATOM 0 H GLY A 53 -7.001 0.657 -11.827 1.00 72.20 H new ATOM 0 HA2 GLY A 53 -9.249 1.847 -11.713 1.00 44.32 H new ATOM 0 HA3 GLY A 53 -9.536 1.111 -13.277 1.00 44.32 H new ATOM 829 N THR A 54 -8.707 -1.334 -12.115 1.00 33.31 N ATOM 830 CA THR A 54 -8.871 -2.609 -11.493 1.00 22.32 C ATOM 831 C THR A 54 -7.688 -2.847 -10.535 1.00 65.02 C ATOM 832 O THR A 54 -7.796 -3.630 -9.565 1.00 14.42 O ATOM 833 CB THR A 54 -9.037 -3.750 -12.551 1.00 65.55 C ATOM 834 OG1 THR A 54 -9.375 -5.020 -11.933 1.00 51.11 O ATOM 835 CG2 THR A 54 -7.792 -3.916 -13.419 1.00 14.05 C ATOM 0 H THR A 54 -8.067 -1.327 -12.909 1.00 33.31 H new ATOM 0 HA THR A 54 -9.793 -2.620 -10.911 1.00 22.32 H new ATOM 0 HB THR A 54 -9.864 -3.445 -13.191 1.00 65.55 H new ATOM 0 HG1 THR A 54 -9.471 -5.706 -12.626 1.00 51.11 H new ATOM 0 HG21 THR A 54 -7.954 -4.719 -14.138 1.00 14.05 H new ATOM 0 HG22 THR A 54 -7.593 -2.986 -13.952 1.00 14.05 H new ATOM 0 HG23 THR A 54 -6.938 -4.162 -12.787 1.00 14.05 H new ATOM 843 N ASP A 55 -6.585 -2.148 -10.796 1.00 22.32 N ATOM 844 CA ASP A 55 -5.415 -2.151 -9.931 1.00 74.10 C ATOM 845 C ASP A 55 -4.877 -0.739 -9.870 1.00 44.33 C ATOM 846 O ASP A 55 -5.266 0.122 -10.684 1.00 22.14 O ATOM 847 CB ASP A 55 -4.274 -3.109 -10.422 1.00 43.20 C ATOM 848 CG ASP A 55 -3.424 -2.574 -11.600 1.00 72.25 C ATOM 849 OD1 ASP A 55 -3.795 -2.818 -12.758 1.00 50.23 O ATOM 850 OD2 ASP A 55 -2.356 -1.919 -11.355 1.00 44.12 O ATOM 0 H ASP A 55 -6.481 -1.559 -11.622 1.00 22.32 H new ATOM 0 HA ASP A 55 -5.729 -2.517 -8.954 1.00 74.10 H new ATOM 0 HB2 ASP A 55 -3.611 -3.318 -9.582 1.00 43.20 H new ATOM 0 HB3 ASP A 55 -4.721 -4.058 -10.719 1.00 43.20 H new ATOM 855 N ALA A 56 -4.105 -0.485 -8.872 1.00 11.11 N ATOM 856 CA ALA A 56 -3.355 0.729 -8.714 1.00 4.41 C ATOM 857 C ALA A 56 -2.119 0.334 -7.999 1.00 33.44 C ATOM 858 O ALA A 56 -2.166 -0.584 -7.187 1.00 11.52 O ATOM 859 CB ALA A 56 -4.105 1.783 -7.922 1.00 12.05 C ATOM 0 H ALA A 56 -3.967 -1.143 -8.104 1.00 11.11 H new ATOM 0 HA ALA A 56 -3.157 1.182 -9.685 1.00 4.41 H new ATOM 0 HB1 ALA A 56 -3.490 2.679 -7.834 1.00 12.05 H new ATOM 0 HB2 ALA A 56 -5.035 2.030 -8.434 1.00 12.05 H new ATOM 0 HB3 ALA A 56 -4.330 1.399 -6.927 1.00 12.05 H new ATOM 865 N GLU A 57 -1.028 0.941 -8.287 1.00 2.13 N ATOM 866 CA GLU A 57 0.180 0.529 -7.652 1.00 43.15 C ATOM 867 C GLU A 57 1.130 1.673 -7.511 1.00 41.44 C ATOM 868 O GLU A 57 1.249 2.531 -8.416 1.00 73.14 O ATOM 869 CB GLU A 57 0.785 -0.622 -8.430 1.00 5.42 C ATOM 870 CG GLU A 57 2.058 -1.217 -7.874 1.00 22.34 C ATOM 871 CD GLU A 57 2.465 -2.447 -8.642 1.00 42.42 C ATOM 872 OE1 GLU A 57 2.356 -2.427 -9.900 1.00 11.20 O ATOM 873 OE2 GLU A 57 2.836 -3.445 -8.011 1.00 25.10 O ATOM 0 H GLU A 57 -0.939 1.714 -8.947 1.00 2.13 H new ATOM 0 HA GLU A 57 -0.040 0.184 -6.642 1.00 43.15 H new ATOM 0 HB2 GLU A 57 0.040 -1.415 -8.500 1.00 5.42 H new ATOM 0 HB3 GLU A 57 0.984 -0.280 -9.446 1.00 5.42 H new ATOM 0 HG2 GLU A 57 2.857 -0.477 -7.917 1.00 22.34 H new ATOM 0 HG3 GLU A 57 1.915 -1.471 -6.824 1.00 22.34 H new ATOM 880 N ILE A 58 1.760 1.712 -6.380 1.00 45.41 N ATOM 881 CA ILE A 58 2.727 2.704 -6.071 1.00 23.32 C ATOM 882 C ILE A 58 4.040 1.969 -5.871 1.00 62.50 C ATOM 883 O ILE A 58 4.110 1.055 -5.043 1.00 53.11 O ATOM 884 CB ILE A 58 2.377 3.429 -4.747 1.00 3.33 C ATOM 885 CG1 ILE A 58 0.902 3.898 -4.704 1.00 4.41 C ATOM 886 CG2 ILE A 58 3.296 4.606 -4.567 1.00 62.50 C ATOM 887 CD1 ILE A 58 0.520 4.915 -5.761 1.00 53.31 C ATOM 0 H ILE A 58 1.609 1.036 -5.631 1.00 45.41 H new ATOM 0 HA ILE A 58 2.771 3.446 -6.868 1.00 23.32 H new ATOM 0 HB ILE A 58 2.510 2.717 -3.932 1.00 3.33 H new ATOM 0 HG12 ILE A 58 0.256 3.026 -4.811 1.00 4.41 H new ATOM 0 HG13 ILE A 58 0.701 4.325 -3.721 1.00 4.41 H new ATOM 0 HG21 ILE A 58 3.053 5.119 -3.636 1.00 62.50 H new ATOM 0 HG22 ILE A 58 4.329 4.259 -4.531 1.00 62.50 H new ATOM 0 HG23 ILE A 58 3.174 5.294 -5.403 1.00 62.50 H new ATOM 0 HD11 ILE A 58 -0.531 5.180 -5.648 1.00 53.31 H new ATOM 0 HD12 ILE A 58 1.134 5.808 -5.645 1.00 53.31 H new ATOM 0 HD13 ILE A 58 0.682 4.489 -6.751 1.00 53.31 H new ATOM 899 N VAL A 59 5.051 2.340 -6.607 1.00 23.21 N ATOM 900 CA VAL A 59 6.328 1.666 -6.518 1.00 31.24 C ATOM 901 C VAL A 59 7.424 2.681 -6.279 1.00 41.22 C ATOM 902 O VAL A 59 7.663 3.530 -7.131 1.00 44.04 O ATOM 903 CB VAL A 59 6.679 0.910 -7.839 1.00 10.53 C ATOM 904 CG1 VAL A 59 7.903 0.018 -7.662 1.00 54.04 C ATOM 905 CG2 VAL A 59 5.495 0.127 -8.397 1.00 43.04 C ATOM 0 H VAL A 59 5.021 3.107 -7.279 1.00 23.21 H new ATOM 0 HA VAL A 59 6.255 0.952 -5.698 1.00 31.24 H new ATOM 0 HB VAL A 59 6.925 1.672 -8.578 1.00 10.53 H new ATOM 0 HG11 VAL A 59 8.119 -0.493 -8.600 1.00 54.04 H new ATOM 0 HG12 VAL A 59 8.759 0.628 -7.375 1.00 54.04 H new ATOM 0 HG13 VAL A 59 7.706 -0.720 -6.884 1.00 54.04 H new ATOM 0 HG21 VAL A 59 5.794 -0.379 -9.315 1.00 43.04 H new ATOM 0 HG22 VAL A 59 5.170 -0.612 -7.665 1.00 43.04 H new ATOM 0 HG23 VAL A 59 4.674 0.812 -8.611 1.00 43.04 H new ATOM 915 N SER A 60 8.051 2.617 -5.145 1.00 12.03 N ATOM 916 CA SER A 60 9.199 3.439 -4.855 1.00 74.42 C ATOM 917 C SER A 60 10.405 2.501 -4.796 1.00 12.21 C ATOM 918 O SER A 60 10.286 1.383 -4.291 1.00 40.22 O ATOM 919 CB SER A 60 8.991 4.142 -3.508 1.00 52.41 C ATOM 920 OG SER A 60 7.762 4.861 -3.499 1.00 65.50 O ATOM 0 H SER A 60 7.784 1.991 -4.386 1.00 12.03 H new ATOM 0 HA SER A 60 9.351 4.207 -5.613 1.00 74.42 H new ATOM 0 HB2 SER A 60 8.993 3.406 -2.704 1.00 52.41 H new ATOM 0 HB3 SER A 60 9.819 4.825 -3.317 1.00 52.41 H new ATOM 0 HG SER A 60 7.886 5.715 -3.035 1.00 65.50 H new ATOM 926 N ALA A 61 11.542 2.927 -5.282 1.00 23.02 N ATOM 927 CA ALA A 61 12.690 2.048 -5.342 1.00 33.12 C ATOM 928 C ALA A 61 13.818 2.558 -4.483 1.00 52.05 C ATOM 929 O ALA A 61 14.038 3.755 -4.397 1.00 21.23 O ATOM 930 CB ALA A 61 13.150 1.869 -6.781 1.00 64.43 C ATOM 0 H ALA A 61 11.701 3.869 -5.640 1.00 23.02 H new ATOM 0 HA ALA A 61 12.388 1.077 -4.950 1.00 33.12 H new ATOM 0 HB1 ALA A 61 14.014 1.205 -6.807 1.00 64.43 H new ATOM 0 HB2 ALA A 61 12.342 1.436 -7.370 1.00 64.43 H new ATOM 0 HB3 ALA A 61 13.424 2.838 -7.198 1.00 64.43 H new ATOM 936 N SER A 62 14.510 1.654 -3.834 1.00 21.13 N ATOM 937 CA SER A 62 15.628 2.007 -3.021 1.00 61.43 C ATOM 938 C SER A 62 16.921 1.749 -3.798 1.00 74.33 C ATOM 939 O SER A 62 16.975 0.844 -4.637 1.00 72.02 O ATOM 940 CB SER A 62 15.568 1.205 -1.737 1.00 31.42 C ATOM 941 OG SER A 62 14.305 1.410 -1.117 1.00 51.42 O ATOM 0 H SER A 62 14.307 0.655 -3.860 1.00 21.13 H new ATOM 0 HA SER A 62 15.604 3.066 -2.763 1.00 61.43 H new ATOM 0 HB2 SER A 62 15.715 0.146 -1.948 1.00 31.42 H new ATOM 0 HB3 SER A 62 16.370 1.511 -1.065 1.00 31.42 H new ATOM 0 HG SER A 62 14.092 2.367 -1.117 1.00 51.42 H new ATOM 947 N ASP A 63 17.928 2.546 -3.528 1.00 3.31 N ATOM 948 CA ASP A 63 19.205 2.500 -4.247 1.00 10.35 C ATOM 949 C ASP A 63 20.094 1.357 -3.767 1.00 35.03 C ATOM 950 O ASP A 63 20.823 0.761 -4.555 1.00 14.00 O ATOM 951 CB ASP A 63 19.937 3.818 -3.985 1.00 42.42 C ATOM 952 CG ASP A 63 20.124 4.036 -2.492 1.00 45.52 C ATOM 953 OD1 ASP A 63 19.116 4.384 -1.824 1.00 12.03 O ATOM 954 OD2 ASP A 63 21.215 3.773 -1.973 1.00 60.30 O ATOM 0 H ASP A 63 17.896 3.257 -2.797 1.00 3.31 H new ATOM 0 HA ASP A 63 18.999 2.344 -5.306 1.00 10.35 H new ATOM 0 HB2 ASP A 63 20.907 3.807 -4.481 1.00 42.42 H new ATOM 0 HB3 ASP A 63 19.371 4.646 -4.411 1.00 42.42 H new ATOM 959 N SER A 64 19.991 1.021 -2.503 1.00 52.11 N ATOM 960 CA SER A 64 20.806 -0.028 -1.953 1.00 14.32 C ATOM 961 C SER A 64 20.096 -1.369 -2.114 1.00 51.11 C ATOM 962 O SER A 64 20.686 -2.371 -2.534 1.00 11.11 O ATOM 963 CB SER A 64 21.077 0.276 -0.480 1.00 25.14 C ATOM 964 OG SER A 64 21.684 1.563 -0.312 1.00 10.54 O ATOM 0 H SER A 64 19.352 1.459 -1.840 1.00 52.11 H new ATOM 0 HA SER A 64 21.757 -0.083 -2.482 1.00 14.32 H new ATOM 0 HB2 SER A 64 20.142 0.238 0.078 1.00 25.14 H new ATOM 0 HB3 SER A 64 21.729 -0.492 -0.063 1.00 25.14 H new ATOM 0 HG SER A 64 21.330 2.182 -0.985 1.00 10.54 H new ATOM 970 N ASP A 65 18.820 -1.367 -1.842 1.00 10.12 N ATOM 971 CA ASP A 65 18.024 -2.551 -1.976 1.00 2.42 C ATOM 972 C ASP A 65 17.126 -2.418 -3.164 1.00 43.40 C ATOM 973 O ASP A 65 16.088 -1.766 -3.091 1.00 74.30 O ATOM 974 CB ASP A 65 17.132 -2.806 -0.776 1.00 42.22 C ATOM 975 CG ASP A 65 17.807 -3.194 0.518 1.00 43.51 C ATOM 976 OD1 ASP A 65 18.291 -2.295 1.236 1.00 42.24 O ATOM 977 OD2 ASP A 65 17.736 -4.380 0.899 1.00 75.31 O ATOM 0 H ASP A 65 18.306 -0.546 -1.522 1.00 10.12 H new ATOM 0 HA ASP A 65 18.726 -3.379 -2.076 1.00 2.42 H new ATOM 0 HB2 ASP A 65 16.546 -1.905 -0.594 1.00 42.22 H new ATOM 0 HB3 ASP A 65 16.429 -3.596 -1.040 1.00 42.22 H new ATOM 982 N SER A 66 17.518 -2.992 -4.259 1.00 21.31 N ATOM 983 CA SER A 66 16.681 -2.986 -5.436 1.00 4.34 C ATOM 984 C SER A 66 15.418 -3.837 -5.169 1.00 50.42 C ATOM 985 O SER A 66 14.290 -3.456 -5.525 1.00 3.22 O ATOM 986 CB SER A 66 17.474 -3.511 -6.647 1.00 14.34 C ATOM 987 OG SER A 66 16.721 -3.436 -7.839 1.00 64.32 O ATOM 0 H SER A 66 18.411 -3.473 -4.370 1.00 21.31 H new ATOM 0 HA SER A 66 16.365 -1.968 -5.665 1.00 4.34 H new ATOM 0 HB2 SER A 66 18.391 -2.933 -6.759 1.00 14.34 H new ATOM 0 HB3 SER A 66 17.769 -4.545 -6.468 1.00 14.34 H new ATOM 0 HG SER A 66 17.256 -3.776 -8.586 1.00 64.32 H new ATOM 993 N THR A 67 15.604 -4.947 -4.462 1.00 21.22 N ATOM 994 CA THR A 67 14.514 -5.850 -4.191 1.00 50.12 C ATOM 995 C THR A 67 13.707 -5.390 -2.966 1.00 43.22 C ATOM 996 O THR A 67 12.533 -5.782 -2.795 1.00 62.02 O ATOM 997 CB THR A 67 15.032 -7.313 -3.992 1.00 74.12 C ATOM 998 OG1 THR A 67 13.940 -8.219 -3.813 1.00 33.11 O ATOM 999 CG2 THR A 67 15.980 -7.417 -2.795 1.00 60.25 C ATOM 0 H THR A 67 16.501 -5.234 -4.071 1.00 21.22 H new ATOM 0 HA THR A 67 13.852 -5.839 -5.057 1.00 50.12 H new ATOM 0 HB THR A 67 15.581 -7.583 -4.894 1.00 74.12 H new ATOM 0 HG1 THR A 67 14.286 -9.128 -3.692 1.00 33.11 H new ATOM 0 HG21 THR A 67 16.319 -8.447 -2.688 1.00 60.25 H new ATOM 0 HG22 THR A 67 16.840 -6.766 -2.954 1.00 60.25 H new ATOM 0 HG23 THR A 67 15.457 -7.111 -1.889 1.00 60.25 H new ATOM 1007 N ASP A 68 14.279 -4.507 -2.171 1.00 71.43 N ATOM 1008 CA ASP A 68 13.583 -4.006 -1.011 1.00 2.52 C ATOM 1009 C ASP A 68 13.207 -2.589 -1.245 1.00 15.02 C ATOM 1010 O ASP A 68 13.842 -1.645 -0.808 1.00 64.23 O ATOM 1011 CB ASP A 68 14.333 -4.187 0.293 1.00 32.31 C ATOM 1012 CG ASP A 68 13.520 -3.750 1.470 1.00 75.22 C ATOM 1013 OD1 ASP A 68 12.357 -4.157 1.547 1.00 12.22 O ATOM 1014 OD2 ASP A 68 14.055 -3.055 2.344 1.00 4.33 O ATOM 0 H ASP A 68 15.216 -4.127 -2.308 1.00 71.43 H new ATOM 0 HA ASP A 68 12.685 -4.611 -0.886 1.00 2.52 H new ATOM 0 HB2 ASP A 68 14.608 -5.235 0.411 1.00 32.31 H new ATOM 0 HB3 ASP A 68 15.261 -3.616 0.260 1.00 32.31 H new ATOM 1019 N SER A 69 12.264 -2.489 -2.073 1.00 2.14 N ATOM 1020 CA SER A 69 11.677 -1.292 -2.476 1.00 42.43 C ATOM 1021 C SER A 69 10.256 -1.298 -1.953 1.00 54.44 C ATOM 1022 O SER A 69 9.698 -2.391 -1.710 1.00 42.11 O ATOM 1023 CB SER A 69 11.734 -1.295 -4.002 1.00 14.23 C ATOM 1024 OG SER A 69 11.509 -2.631 -4.511 1.00 44.22 O ATOM 0 H SER A 69 11.848 -3.304 -2.523 1.00 2.14 H new ATOM 0 HA SER A 69 12.173 -0.397 -2.099 1.00 42.43 H new ATOM 0 HB2 SER A 69 10.982 -0.615 -4.402 1.00 14.23 H new ATOM 0 HB3 SER A 69 12.705 -0.930 -4.337 1.00 14.23 H new ATOM 0 HG SER A 69 12.348 -2.992 -4.866 1.00 44.22 H new ATOM 1030 N LEU A 70 9.661 -0.150 -1.810 1.00 54.42 N ATOM 1031 CA LEU A 70 8.340 -0.075 -1.257 1.00 23.05 C ATOM 1032 C LEU A 70 7.388 -0.127 -2.421 1.00 2.54 C ATOM 1033 O LEU A 70 7.353 0.768 -3.254 1.00 41.31 O ATOM 1034 CB LEU A 70 8.191 1.238 -0.416 1.00 31.10 C ATOM 1035 CG LEU A 70 6.882 1.478 0.411 1.00 22.24 C ATOM 1036 CD1 LEU A 70 5.670 1.763 -0.470 1.00 0.42 C ATOM 1037 CD2 LEU A 70 6.601 0.306 1.359 1.00 60.13 C ATOM 0 H LEU A 70 10.070 0.748 -2.069 1.00 54.42 H new ATOM 0 HA LEU A 70 8.128 -0.898 -0.575 1.00 23.05 H new ATOM 0 HB2 LEU A 70 9.029 1.278 0.280 1.00 31.10 H new ATOM 0 HB3 LEU A 70 8.304 2.079 -1.100 1.00 31.10 H new ATOM 0 HG LEU A 70 7.057 2.373 1.008 1.00 22.24 H new ATOM 0 HD11 LEU A 70 4.793 1.921 0.158 1.00 0.42 H new ATOM 0 HD12 LEU A 70 5.855 2.657 -1.066 1.00 0.42 H new ATOM 0 HD13 LEU A 70 5.494 0.915 -1.132 1.00 0.42 H new ATOM 0 HD21 LEU A 70 5.687 0.502 1.919 1.00 60.13 H new ATOM 0 HD22 LEU A 70 6.483 -0.610 0.780 1.00 60.13 H new ATOM 0 HD23 LEU A 70 7.434 0.192 2.053 1.00 60.13 H new ATOM 1049 N GLN A 71 6.670 -1.199 -2.497 1.00 3.22 N ATOM 1050 CA GLN A 71 5.760 -1.422 -3.571 1.00 71.12 C ATOM 1051 C GLN A 71 4.432 -1.787 -2.973 1.00 72.45 C ATOM 1052 O GLN A 71 4.333 -2.778 -2.234 1.00 75.22 O ATOM 1053 CB GLN A 71 6.271 -2.569 -4.429 1.00 13.12 C ATOM 1054 CG GLN A 71 5.556 -2.751 -5.752 1.00 12.13 C ATOM 1055 CD GLN A 71 6.017 -3.994 -6.484 1.00 42.52 C ATOM 1056 OE1 GLN A 71 7.161 -4.450 -6.313 1.00 71.33 O ATOM 1057 NE2 GLN A 71 5.177 -4.524 -7.326 1.00 72.01 N ATOM 0 H GLN A 71 6.699 -1.951 -1.809 1.00 3.22 H new ATOM 0 HA GLN A 71 5.665 -0.532 -4.193 1.00 71.12 H new ATOM 0 HB2 GLN A 71 7.331 -2.410 -4.626 1.00 13.12 H new ATOM 0 HB3 GLN A 71 6.187 -3.494 -3.858 1.00 13.12 H new ATOM 0 HG2 GLN A 71 4.482 -2.811 -5.577 1.00 12.13 H new ATOM 0 HG3 GLN A 71 5.728 -1.877 -6.380 1.00 12.13 H new ATOM 0 HE21 GLN A 71 4.246 -4.122 -7.439 1.00 72.01 H new ATOM 0 HE22 GLN A 71 5.450 -5.341 -7.872 1.00 72.01 H new ATOM 1066 N VAL A 72 3.448 -0.992 -3.226 1.00 64.13 N ATOM 1067 CA VAL A 72 2.135 -1.257 -2.728 1.00 3.24 C ATOM 1068 C VAL A 72 1.195 -1.399 -3.900 1.00 41.52 C ATOM 1069 O VAL A 72 1.058 -0.475 -4.712 1.00 73.41 O ATOM 1070 CB VAL A 72 1.636 -0.120 -1.779 1.00 4.11 C ATOM 1071 CG1 VAL A 72 0.214 -0.377 -1.319 1.00 50.53 C ATOM 1072 CG2 VAL A 72 2.545 0.007 -0.569 1.00 40.52 C ATOM 0 H VAL A 72 3.528 -0.141 -3.782 1.00 64.13 H new ATOM 0 HA VAL A 72 2.161 -2.178 -2.146 1.00 3.24 H new ATOM 0 HB VAL A 72 1.659 0.812 -2.344 1.00 4.11 H new ATOM 0 HG11 VAL A 72 -0.107 0.430 -0.660 1.00 50.53 H new ATOM 0 HG12 VAL A 72 -0.446 -0.422 -2.185 1.00 50.53 H new ATOM 0 HG13 VAL A 72 0.171 -1.324 -0.780 1.00 50.53 H new ATOM 0 HG21 VAL A 72 2.180 0.804 0.078 1.00 40.52 H new ATOM 0 HG22 VAL A 72 2.551 -0.934 -0.018 1.00 40.52 H new ATOM 0 HG23 VAL A 72 3.557 0.242 -0.898 1.00 40.52 H new ATOM 1082 N ALA A 73 0.551 -2.522 -3.970 1.00 22.43 N ATOM 1083 CA ALA A 73 -0.379 -2.821 -5.009 1.00 54.43 C ATOM 1084 C ALA A 73 -1.772 -2.837 -4.432 1.00 35.13 C ATOM 1085 O ALA A 73 -2.008 -3.381 -3.340 1.00 73.43 O ATOM 1086 CB ALA A 73 -0.046 -4.156 -5.662 1.00 14.20 C ATOM 0 H ALA A 73 0.661 -3.273 -3.289 1.00 22.43 H new ATOM 0 HA ALA A 73 -0.319 -2.054 -5.781 1.00 54.43 H new ATOM 0 HB1 ALA A 73 -0.768 -4.365 -6.452 1.00 14.20 H new ATOM 0 HB2 ALA A 73 0.956 -4.113 -6.088 1.00 14.20 H new ATOM 0 HB3 ALA A 73 -0.088 -4.948 -4.914 1.00 14.20 H new ATOM 1092 N MET A 74 -2.670 -2.240 -5.131 1.00 52.35 N ATOM 1093 CA MET A 74 -4.039 -2.115 -4.721 1.00 32.31 C ATOM 1094 C MET A 74 -4.870 -2.867 -5.712 1.00 44.11 C ATOM 1095 O MET A 74 -4.741 -2.649 -6.918 1.00 50.14 O ATOM 1096 CB MET A 74 -4.453 -0.643 -4.775 1.00 74.41 C ATOM 1097 CG MET A 74 -3.512 0.290 -4.048 1.00 24.35 C ATOM 1098 SD MET A 74 -3.888 2.018 -4.318 1.00 12.10 S ATOM 1099 CE MET A 74 -2.518 2.771 -3.467 1.00 23.13 C ATOM 0 H MET A 74 -2.475 -1.808 -6.034 1.00 52.35 H new ATOM 0 HA MET A 74 -4.171 -2.498 -3.709 1.00 32.31 H new ATOM 0 HB2 MET A 74 -4.520 -0.334 -5.818 1.00 74.41 H new ATOM 0 HB3 MET A 74 -5.450 -0.541 -4.347 1.00 74.41 H new ATOM 0 HG2 MET A 74 -3.554 0.078 -2.980 1.00 24.35 H new ATOM 0 HG3 MET A 74 -2.491 0.092 -4.373 1.00 24.35 H new ATOM 0 HE1 MET A 74 -2.518 3.844 -3.656 1.00 23.13 H new ATOM 0 HE2 MET A 74 -2.612 2.591 -2.396 1.00 23.13 H new ATOM 0 HE3 MET A 74 -1.584 2.339 -3.827 1.00 23.13 H new ATOM 1109 N LYS A 75 -5.693 -3.739 -5.248 1.00 4.11 N ATOM 1110 CA LYS A 75 -6.525 -4.468 -6.122 1.00 4.42 C ATOM 1111 C LYS A 75 -7.954 -4.119 -5.823 1.00 64.41 C ATOM 1112 O LYS A 75 -8.421 -4.312 -4.700 1.00 1.34 O ATOM 1113 CB LYS A 75 -6.313 -5.976 -5.956 1.00 15.53 C ATOM 1114 CG LYS A 75 -7.113 -6.791 -6.950 1.00 55.21 C ATOM 1115 CD LYS A 75 -6.589 -6.587 -8.362 1.00 21.31 C ATOM 1116 CE LYS A 75 -7.578 -7.057 -9.390 1.00 32.21 C ATOM 1117 NZ LYS A 75 -8.786 -6.192 -9.423 1.00 13.41 N ATOM 0 H LYS A 75 -5.805 -3.962 -4.259 1.00 4.11 H new ATOM 0 HA LYS A 75 -6.277 -4.207 -7.151 1.00 4.42 H new ATOM 0 HB2 LYS A 75 -5.254 -6.205 -6.073 1.00 15.53 H new ATOM 0 HB3 LYS A 75 -6.592 -6.269 -4.944 1.00 15.53 H new ATOM 0 HG2 LYS A 75 -7.060 -7.847 -6.687 1.00 55.21 H new ATOM 0 HG3 LYS A 75 -8.163 -6.503 -6.902 1.00 55.21 H new ATOM 0 HD2 LYS A 75 -6.371 -5.531 -8.521 1.00 21.31 H new ATOM 0 HD3 LYS A 75 -5.651 -7.128 -8.485 1.00 21.31 H new ATOM 0 HE2 LYS A 75 -7.107 -7.063 -10.373 1.00 32.21 H new ATOM 0 HE3 LYS A 75 -7.871 -8.084 -9.171 1.00 32.21 H new ATOM 0 HZ1 LYS A 75 -9.123 -6.104 -10.403 1.00 13.41 H new ATOM 0 HZ2 LYS A 75 -9.533 -6.616 -8.836 1.00 13.41 H new ATOM 0 HZ3 LYS A 75 -8.548 -5.250 -9.053 1.00 13.41 H new ATOM 1131 N LYS A 76 -8.656 -3.644 -6.822 1.00 43.55 N ATOM 1132 CA LYS A 76 -10.022 -3.256 -6.635 1.00 63.25 C ATOM 1133 C LYS A 76 -10.880 -4.483 -6.657 1.00 55.14 C ATOM 1134 O LYS A 76 -10.789 -5.317 -7.591 1.00 52.13 O ATOM 1135 CB LYS A 76 -10.520 -2.323 -7.735 1.00 32.11 C ATOM 1136 CG LYS A 76 -11.864 -1.676 -7.392 1.00 43.20 C ATOM 1137 CD LYS A 76 -12.519 -1.018 -8.587 1.00 4.33 C ATOM 1138 CE LYS A 76 -13.289 -2.028 -9.412 1.00 54.11 C ATOM 1139 NZ LYS A 76 -14.429 -2.631 -8.648 1.00 2.42 N ATOM 0 H LYS A 76 -8.300 -3.519 -7.770 1.00 43.55 H new ATOM 0 HA LYS A 76 -10.082 -2.729 -5.683 1.00 63.25 H new ATOM 0 HB2 LYS A 76 -9.779 -1.543 -7.908 1.00 32.11 H new ATOM 0 HB3 LYS A 76 -10.617 -2.883 -8.665 1.00 32.11 H new ATOM 0 HG2 LYS A 76 -12.535 -2.434 -6.987 1.00 43.20 H new ATOM 0 HG3 LYS A 76 -11.715 -0.932 -6.609 1.00 43.20 H new ATOM 0 HD2 LYS A 76 -13.193 -0.231 -8.249 1.00 4.33 H new ATOM 0 HD3 LYS A 76 -11.759 -0.542 -9.206 1.00 4.33 H new ATOM 0 HE2 LYS A 76 -13.672 -1.545 -10.311 1.00 54.11 H new ATOM 0 HE3 LYS A 76 -12.614 -2.819 -9.738 1.00 54.11 H new ATOM 0 HZ1 LYS A 76 -15.055 -3.142 -9.303 1.00 2.42 H new ATOM 0 HZ2 LYS A 76 -14.059 -3.293 -7.936 1.00 2.42 H new ATOM 0 HZ3 LYS A 76 -14.966 -1.877 -8.173 1.00 2.42 H new ATOM 1153 N LEU A 77 -11.664 -4.611 -5.651 1.00 11.33 N ATOM 1154 CA LEU A 77 -12.595 -5.685 -5.516 1.00 41.03 C ATOM 1155 C LEU A 77 -13.921 -5.230 -6.115 1.00 70.21 C ATOM 1156 O LEU A 77 -14.164 -4.010 -6.198 1.00 45.53 O ATOM 1157 CB LEU A 77 -12.733 -6.124 -4.052 1.00 34.23 C ATOM 1158 CG LEU A 77 -11.446 -6.649 -3.389 1.00 41.14 C ATOM 1159 CD1 LEU A 77 -11.707 -7.055 -1.953 1.00 54.20 C ATOM 1160 CD2 LEU A 77 -10.862 -7.819 -4.174 1.00 33.43 C ATOM 0 H LEU A 77 -11.681 -3.954 -4.871 1.00 11.33 H new ATOM 0 HA LEU A 77 -12.241 -6.565 -6.053 1.00 41.03 H new ATOM 0 HB2 LEU A 77 -13.100 -5.278 -3.471 1.00 34.23 H new ATOM 0 HB3 LEU A 77 -13.493 -6.903 -3.995 1.00 34.23 H new ATOM 0 HG LEU A 77 -10.717 -5.839 -3.392 1.00 41.14 H new ATOM 0 HD11 LEU A 77 -10.784 -7.423 -1.505 1.00 54.20 H new ATOM 0 HD12 LEU A 77 -12.065 -6.193 -1.390 1.00 54.20 H new ATOM 0 HD13 LEU A 77 -12.460 -7.842 -1.929 1.00 54.20 H new ATOM 0 HD21 LEU A 77 -9.954 -8.169 -3.683 1.00 33.43 H new ATOM 0 HD22 LEU A 77 -11.589 -8.630 -4.213 1.00 33.43 H new ATOM 0 HD23 LEU A 77 -10.625 -7.495 -5.187 1.00 33.43 H new ATOM 1172 N PRO A 78 -14.715 -6.178 -6.685 1.00 41.44 N ATOM 1173 CA PRO A 78 -16.005 -5.913 -7.339 1.00 35.23 C ATOM 1174 C PRO A 78 -16.808 -4.732 -6.769 1.00 35.31 C ATOM 1175 O PRO A 78 -16.890 -3.669 -7.409 1.00 74.32 O ATOM 1176 CB PRO A 78 -16.751 -7.228 -7.151 1.00 74.32 C ATOM 1177 CG PRO A 78 -15.687 -8.270 -7.236 1.00 11.30 C ATOM 1178 CD PRO A 78 -14.402 -7.632 -6.738 1.00 61.13 C ATOM 0 HA PRO A 78 -15.856 -5.609 -8.375 1.00 35.23 H new ATOM 0 HB2 PRO A 78 -17.264 -7.261 -6.190 1.00 74.32 H new ATOM 0 HB3 PRO A 78 -17.509 -7.369 -7.922 1.00 74.32 H new ATOM 0 HG2 PRO A 78 -15.947 -9.138 -6.630 1.00 11.30 H new ATOM 0 HG3 PRO A 78 -15.571 -8.621 -8.262 1.00 11.30 H new ATOM 0 HD2 PRO A 78 -14.121 -8.015 -5.757 1.00 61.13 H new ATOM 0 HD3 PRO A 78 -13.569 -7.836 -7.411 1.00 61.13 H new ATOM 1186 N ASN A 79 -17.310 -4.878 -5.568 1.00 44.42 N ATOM 1187 CA ASN A 79 -18.181 -3.863 -4.989 1.00 13.42 C ATOM 1188 C ASN A 79 -17.560 -3.154 -3.793 1.00 13.32 C ATOM 1189 O ASN A 79 -17.523 -3.696 -2.703 1.00 22.00 O ATOM 1190 CB ASN A 79 -19.552 -4.452 -4.602 1.00 23.22 C ATOM 1191 CG ASN A 79 -20.499 -3.415 -3.986 1.00 33.40 C ATOM 1192 OD1 ASN A 79 -20.445 -2.229 -4.303 1.00 75.34 O ATOM 1193 ND2 ASN A 79 -21.366 -3.858 -3.104 1.00 64.43 N ATOM 0 H ASN A 79 -17.136 -5.684 -4.967 1.00 44.42 H new ATOM 0 HA ASN A 79 -18.323 -3.115 -5.769 1.00 13.42 H new ATOM 0 HB2 ASN A 79 -20.020 -4.881 -5.488 1.00 23.22 H new ATOM 0 HB3 ASN A 79 -19.404 -5.267 -3.893 1.00 23.22 H new ATOM 0 HD21 ASN A 79 -22.019 -3.211 -2.661 1.00 64.43 H new ATOM 0 HD22 ASN A 79 -21.386 -4.849 -2.862 1.00 64.43 H new ATOM 1200 N ASN A 80 -17.006 -1.975 -4.064 1.00 11.20 N ATOM 1201 CA ASN A 80 -16.529 -1.002 -3.040 1.00 44.02 C ATOM 1202 C ASN A 80 -15.524 -1.515 -2.017 1.00 31.52 C ATOM 1203 O ASN A 80 -15.414 -0.955 -0.937 1.00 65.23 O ATOM 1204 CB ASN A 80 -17.697 -0.281 -2.344 1.00 45.24 C ATOM 1205 CG ASN A 80 -18.363 0.745 -3.242 1.00 0.04 C ATOM 1206 OD1 ASN A 80 -17.931 1.897 -3.303 1.00 34.15 O ATOM 1207 ND2 ASN A 80 -19.406 0.356 -3.937 1.00 71.12 N ATOM 0 H ASN A 80 -16.865 -1.646 -5.019 1.00 11.20 H new ATOM 0 HA ASN A 80 -15.957 -0.291 -3.636 1.00 44.02 H new ATOM 0 HB2 ASN A 80 -18.437 -1.016 -2.027 1.00 45.24 H new ATOM 0 HB3 ASN A 80 -17.331 0.212 -1.443 1.00 45.24 H new ATOM 0 HD21 ASN A 80 -19.885 1.015 -4.551 1.00 71.12 H new ATOM 0 HD22 ASN A 80 -19.738 -0.606 -3.863 1.00 71.12 H new ATOM 1214 N ALA A 81 -14.762 -2.512 -2.364 1.00 33.13 N ATOM 1215 CA ALA A 81 -13.736 -2.999 -1.474 1.00 2.11 C ATOM 1216 C ALA A 81 -12.419 -3.046 -2.217 1.00 20.34 C ATOM 1217 O ALA A 81 -12.407 -3.018 -3.464 1.00 64.45 O ATOM 1218 CB ALA A 81 -14.104 -4.355 -0.890 1.00 74.23 C ATOM 0 H ALA A 81 -14.828 -3.006 -3.254 1.00 33.13 H new ATOM 0 HA ALA A 81 -13.640 -2.317 -0.629 1.00 2.11 H new ATOM 0 HB1 ALA A 81 -13.309 -4.692 -0.224 1.00 74.23 H new ATOM 0 HB2 ALA A 81 -15.035 -4.269 -0.330 1.00 74.23 H new ATOM 0 HB3 ALA A 81 -14.232 -5.076 -1.697 1.00 74.23 H new ATOM 1224 N THR A 82 -11.331 -3.097 -1.492 1.00 21.44 N ATOM 1225 CA THR A 82 -10.017 -3.093 -2.085 1.00 32.52 C ATOM 1226 C THR A 82 -9.094 -4.021 -1.290 1.00 72.11 C ATOM 1227 O THR A 82 -9.125 -4.041 -0.074 1.00 72.11 O ATOM 1228 CB THR A 82 -9.437 -1.657 -2.050 1.00 34.53 C ATOM 1229 OG1 THR A 82 -10.401 -0.747 -2.582 1.00 14.30 O ATOM 1230 CG2 THR A 82 -8.152 -1.555 -2.869 1.00 43.14 C ATOM 0 H THR A 82 -11.330 -3.143 -0.473 1.00 21.44 H new ATOM 0 HA THR A 82 -10.088 -3.437 -3.117 1.00 32.52 H new ATOM 0 HB THR A 82 -9.206 -1.409 -1.014 1.00 34.53 H new ATOM 0 HG1 THR A 82 -11.032 -0.490 -1.877 1.00 14.30 H new ATOM 0 HG21 THR A 82 -7.771 -0.535 -2.823 1.00 43.14 H new ATOM 0 HG22 THR A 82 -7.407 -2.239 -2.463 1.00 43.14 H new ATOM 0 HG23 THR A 82 -8.360 -1.819 -3.906 1.00 43.14 H new ATOM 1238 N ARG A 83 -8.313 -4.797 -1.959 1.00 43.11 N ATOM 1239 CA ARG A 83 -7.373 -5.637 -1.290 1.00 53.33 C ATOM 1240 C ARG A 83 -6.016 -5.006 -1.474 1.00 25.53 C ATOM 1241 O ARG A 83 -5.669 -4.619 -2.592 1.00 44.33 O ATOM 1242 CB ARG A 83 -7.354 -7.034 -1.860 1.00 11.13 C ATOM 1243 CG ARG A 83 -6.756 -8.034 -0.896 1.00 1.02 C ATOM 1244 CD ARG A 83 -6.313 -9.283 -1.593 1.00 71.23 C ATOM 1245 NE ARG A 83 -5.080 -9.040 -2.376 1.00 61.23 N ATOM 1246 CZ ARG A 83 -4.616 -9.790 -3.385 1.00 32.12 C ATOM 1247 NH1 ARG A 83 -5.356 -10.790 -3.885 1.00 1.41 N ATOM 1248 NH2 ARG A 83 -3.410 -9.521 -3.903 1.00 33.40 N ATOM 0 H ARG A 83 -8.305 -4.869 -2.976 1.00 43.11 H new ATOM 0 HA ARG A 83 -7.649 -5.725 -0.239 1.00 53.33 H new ATOM 0 HB2 ARG A 83 -8.371 -7.336 -2.111 1.00 11.13 H new ATOM 0 HB3 ARG A 83 -6.782 -7.039 -2.788 1.00 11.13 H new ATOM 0 HG2 ARG A 83 -5.906 -7.582 -0.385 1.00 1.02 H new ATOM 0 HG3 ARG A 83 -7.491 -8.286 -0.131 1.00 1.02 H new ATOM 0 HD2 ARG A 83 -6.134 -10.070 -0.860 1.00 71.23 H new ATOM 0 HD3 ARG A 83 -7.105 -9.636 -2.254 1.00 71.23 H new ATOM 0 HE ARG A 83 -4.529 -8.220 -2.122 1.00 61.23 H new ATOM 0 HH11 ARG A 83 -6.279 -10.984 -3.497 1.00 1.41 H new ATOM 0 HH12 ARG A 83 -4.996 -11.356 -4.653 1.00 1.41 H new ATOM 0 HH21 ARG A 83 -2.854 -8.752 -3.529 1.00 33.40 H new ATOM 0 HH22 ARG A 83 -3.047 -10.086 -4.671 1.00 33.40 H new ATOM 1262 N ILE A 84 -5.251 -4.905 -0.434 1.00 71.30 N ATOM 1263 CA ILE A 84 -3.995 -4.225 -0.530 1.00 22.14 C ATOM 1264 C ILE A 84 -2.875 -5.262 -0.372 1.00 23.13 C ATOM 1265 O ILE A 84 -2.997 -6.238 0.389 1.00 10.31 O ATOM 1266 CB ILE A 84 -3.875 -3.101 0.569 1.00 61.00 C ATOM 1267 CG1 ILE A 84 -2.846 -2.047 0.194 1.00 63.13 C ATOM 1268 CG2 ILE A 84 -3.535 -3.667 1.927 1.00 73.42 C ATOM 1269 CD1 ILE A 84 -3.299 -1.160 -0.927 1.00 60.32 C ATOM 0 H ILE A 84 -5.471 -5.282 0.488 1.00 71.30 H new ATOM 0 HA ILE A 84 -3.915 -3.735 -1.500 1.00 22.14 H new ATOM 0 HB ILE A 84 -4.857 -2.632 0.622 1.00 61.00 H new ATOM 0 HG12 ILE A 84 -2.626 -1.435 1.068 1.00 63.13 H new ATOM 0 HG13 ILE A 84 -1.917 -2.540 -0.092 1.00 63.13 H new ATOM 0 HG21 ILE A 84 -3.463 -2.856 2.652 1.00 73.42 H new ATOM 0 HG22 ILE A 84 -4.315 -4.362 2.237 1.00 73.42 H new ATOM 0 HG23 ILE A 84 -2.581 -4.192 1.874 1.00 73.42 H new ATOM 0 HD11 ILE A 84 -2.522 -0.428 -1.149 1.00 60.32 H new ATOM 0 HD12 ILE A 84 -3.492 -1.764 -1.813 1.00 60.32 H new ATOM 0 HD13 ILE A 84 -4.212 -0.642 -0.635 1.00 60.32 H new ATOM 1281 N SER A 85 -1.890 -5.147 -1.196 1.00 12.13 N ATOM 1282 CA SER A 85 -0.751 -6.007 -1.165 1.00 51.14 C ATOM 1283 C SER A 85 0.529 -5.177 -1.122 1.00 41.11 C ATOM 1284 O SER A 85 0.805 -4.407 -2.031 1.00 65.20 O ATOM 1285 CB SER A 85 -0.803 -6.942 -2.369 1.00 70.54 C ATOM 1286 OG SER A 85 -2.046 -7.660 -2.345 1.00 21.11 O ATOM 0 H SER A 85 -1.851 -4.437 -1.927 1.00 12.13 H new ATOM 0 HA SER A 85 -0.759 -6.621 -0.264 1.00 51.14 H new ATOM 0 HB2 SER A 85 -0.715 -6.372 -3.294 1.00 70.54 H new ATOM 0 HB3 SER A 85 0.035 -7.638 -2.343 1.00 70.54 H new ATOM 0 HG SER A 85 -2.760 -7.089 -2.697 1.00 21.11 H new ATOM 1292 N ILE A 86 1.265 -5.310 -0.070 1.00 41.32 N ATOM 1293 CA ILE A 86 2.491 -4.574 0.111 1.00 64.40 C ATOM 1294 C ILE A 86 3.654 -5.536 -0.055 1.00 1.53 C ATOM 1295 O ILE A 86 3.638 -6.621 0.514 1.00 43.11 O ATOM 1296 CB ILE A 86 2.532 -3.936 1.528 1.00 40.15 C ATOM 1297 CG1 ILE A 86 1.282 -3.058 1.742 1.00 64.41 C ATOM 1298 CG2 ILE A 86 3.815 -3.118 1.726 1.00 22.42 C ATOM 1299 CD1 ILE A 86 1.152 -2.476 3.130 1.00 64.10 C ATOM 0 H ILE A 86 1.038 -5.937 0.702 1.00 41.32 H new ATOM 0 HA ILE A 86 2.555 -3.774 -0.627 1.00 64.40 H new ATOM 0 HB ILE A 86 2.533 -4.734 2.270 1.00 40.15 H new ATOM 0 HG12 ILE A 86 1.300 -2.241 1.020 1.00 64.41 H new ATOM 0 HG13 ILE A 86 0.395 -3.654 1.528 1.00 64.41 H new ATOM 0 HG21 ILE A 86 3.818 -2.683 2.725 1.00 22.42 H new ATOM 0 HG22 ILE A 86 4.682 -3.768 1.610 1.00 22.42 H new ATOM 0 HG23 ILE A 86 3.857 -2.321 0.983 1.00 22.42 H new ATOM 0 HD11 ILE A 86 0.245 -1.874 3.189 1.00 64.10 H new ATOM 0 HD12 ILE A 86 1.099 -3.284 3.860 1.00 64.10 H new ATOM 0 HD13 ILE A 86 2.018 -1.850 3.345 1.00 64.10 H new ATOM 1311 N LYS A 87 4.634 -5.155 -0.826 1.00 52.32 N ATOM 1312 CA LYS A 87 5.785 -5.993 -1.058 1.00 51.12 C ATOM 1313 C LYS A 87 6.996 -5.336 -0.439 1.00 64.02 C ATOM 1314 O LYS A 87 7.365 -4.213 -0.802 1.00 11.40 O ATOM 1315 CB LYS A 87 5.976 -6.217 -2.596 1.00 61.43 C ATOM 1316 CG LYS A 87 7.148 -7.149 -3.044 1.00 54.33 C ATOM 1317 CD LYS A 87 8.548 -6.557 -2.828 1.00 43.45 C ATOM 1318 CE LYS A 87 8.793 -5.325 -3.690 1.00 1.21 C ATOM 1319 NZ LYS A 87 10.025 -4.625 -3.290 1.00 5.44 N ATOM 0 H LYS A 87 4.661 -4.258 -1.312 1.00 52.32 H new ATOM 0 HA LYS A 87 5.644 -6.971 -0.597 1.00 51.12 H new ATOM 0 HB2 LYS A 87 5.048 -6.626 -2.995 1.00 61.43 H new ATOM 0 HB3 LYS A 87 6.122 -5.243 -3.063 1.00 61.43 H new ATOM 0 HG2 LYS A 87 7.077 -8.090 -2.498 1.00 54.33 H new ATOM 0 HG3 LYS A 87 7.025 -7.384 -4.101 1.00 54.33 H new ATOM 0 HD2 LYS A 87 8.671 -6.293 -1.778 1.00 43.45 H new ATOM 0 HD3 LYS A 87 9.299 -7.313 -3.057 1.00 43.45 H new ATOM 0 HE2 LYS A 87 8.864 -5.620 -4.737 1.00 1.21 H new ATOM 0 HE3 LYS A 87 7.944 -4.646 -3.607 1.00 1.21 H new ATOM 0 HZ1 LYS A 87 10.367 -4.044 -4.082 1.00 5.44 H new ATOM 0 HZ2 LYS A 87 9.827 -4.014 -2.472 1.00 5.44 H new ATOM 0 HZ3 LYS A 87 10.753 -5.322 -3.033 1.00 5.44 H new ATOM 1333 N TYR A 88 7.598 -6.030 0.479 1.00 62.11 N ATOM 1334 CA TYR A 88 8.789 -5.594 1.141 1.00 32.05 C ATOM 1335 C TYR A 88 9.816 -6.699 0.980 1.00 72.51 C ATOM 1336 O TYR A 88 9.432 -7.840 0.736 1.00 3.10 O ATOM 1337 CB TYR A 88 8.480 -5.351 2.588 1.00 54.34 C ATOM 1338 CG TYR A 88 9.461 -4.434 3.288 1.00 32.34 C ATOM 1339 CD1 TYR A 88 10.586 -4.931 3.888 1.00 32.31 C ATOM 1340 CD2 TYR A 88 9.245 -3.058 3.346 1.00 41.33 C ATOM 1341 CE1 TYR A 88 11.478 -4.111 4.527 1.00 3.31 C ATOM 1342 CE2 TYR A 88 10.141 -2.225 3.988 1.00 43.33 C ATOM 1343 CZ TYR A 88 11.256 -2.769 4.578 1.00 40.15 C ATOM 1344 OH TYR A 88 12.166 -1.974 5.205 1.00 41.42 O ATOM 0 H TYR A 88 7.265 -6.940 0.797 1.00 62.11 H new ATOM 0 HA TYR A 88 9.174 -4.666 0.719 1.00 32.05 H new ATOM 0 HB2 TYR A 88 7.480 -4.923 2.667 1.00 54.34 H new ATOM 0 HB3 TYR A 88 8.460 -6.308 3.109 1.00 54.34 H new ATOM 0 HD1 TYR A 88 10.775 -5.994 3.857 1.00 32.31 H new ATOM 0 HD2 TYR A 88 8.365 -2.637 2.883 1.00 41.33 H new ATOM 0 HE1 TYR A 88 12.359 -4.530 4.991 1.00 3.31 H new ATOM 0 HE2 TYR A 88 9.967 -1.160 4.026 1.00 43.33 H new ATOM 0 HH TYR A 88 11.872 -1.040 5.159 1.00 41.42 H new ATOM 1354 N GLY A 89 11.077 -6.385 1.077 1.00 1.34 N ATOM 1355 CA GLY A 89 12.084 -7.378 0.870 1.00 33.24 C ATOM 1356 C GLY A 89 12.864 -7.773 2.120 1.00 71.41 C ATOM 1357 O GLY A 89 12.419 -8.613 2.894 1.00 31.12 O ATOM 0 H GLY A 89 11.428 -5.453 1.297 1.00 1.34 H new ATOM 0 HA2 GLY A 89 11.614 -8.270 0.456 1.00 33.24 H new ATOM 0 HA3 GLY A 89 12.787 -7.011 0.122 1.00 33.24 H new ATOM 1361 N SER A 90 13.983 -7.107 2.342 1.00 34.43 N ATOM 1362 CA SER A 90 14.983 -7.542 3.309 1.00 22.22 C ATOM 1363 C SER A 90 14.588 -7.494 4.804 1.00 13.12 C ATOM 1364 O SER A 90 14.917 -8.412 5.550 1.00 2.41 O ATOM 1365 CB SER A 90 16.323 -6.830 3.031 1.00 31.02 C ATOM 1366 OG SER A 90 16.142 -5.426 2.844 1.00 44.21 O ATOM 0 H SER A 90 14.228 -6.244 1.856 1.00 34.43 H new ATOM 0 HA SER A 90 15.082 -8.615 3.143 1.00 22.22 H new ATOM 0 HB2 SER A 90 17.007 -7.002 3.862 1.00 31.02 H new ATOM 0 HB3 SER A 90 16.787 -7.259 2.143 1.00 31.02 H new ATOM 0 HG SER A 90 16.741 -5.110 2.136 1.00 44.21 H new ATOM 1372 N GLN A 91 13.904 -6.456 5.247 1.00 24.42 N ATOM 1373 CA GLN A 91 13.624 -6.337 6.689 1.00 20.11 C ATOM 1374 C GLN A 91 12.198 -6.696 7.105 1.00 1.45 C ATOM 1375 O GLN A 91 11.909 -6.807 8.291 1.00 73.35 O ATOM 1376 CB GLN A 91 14.054 -4.974 7.223 1.00 41.55 C ATOM 1377 CG GLN A 91 15.562 -4.786 7.195 1.00 0.24 C ATOM 1378 CD GLN A 91 15.997 -3.419 7.647 1.00 31.43 C ATOM 1379 OE1 GLN A 91 16.140 -2.513 6.847 1.00 24.11 O ATOM 1380 NE2 GLN A 91 16.206 -3.259 8.928 1.00 43.13 N ATOM 0 H GLN A 91 13.538 -5.702 4.665 1.00 24.42 H new ATOM 0 HA GLN A 91 14.237 -7.104 7.162 1.00 20.11 H new ATOM 0 HB2 GLN A 91 13.583 -4.190 6.630 1.00 41.55 H new ATOM 0 HB3 GLN A 91 13.696 -4.859 8.246 1.00 41.55 H new ATOM 0 HG2 GLN A 91 16.027 -5.538 7.833 1.00 0.24 H new ATOM 0 HG3 GLN A 91 15.925 -4.959 6.182 1.00 0.24 H new ATOM 0 HE21 GLN A 91 16.076 -4.043 9.568 1.00 43.13 H new ATOM 0 HE22 GLN A 91 16.499 -2.351 9.287 1.00 43.13 H new ATOM 1389 N GLY A 92 11.336 -6.910 6.140 1.00 13.11 N ATOM 1390 CA GLY A 92 9.947 -7.237 6.432 1.00 4.33 C ATOM 1391 C GLY A 92 9.083 -6.021 6.834 1.00 71.52 C ATOM 1392 O GLY A 92 9.350 -5.337 7.813 1.00 14.45 O ATOM 0 H GLY A 92 11.564 -6.866 5.147 1.00 13.11 H new ATOM 0 HA2 GLY A 92 9.504 -7.710 5.555 1.00 4.33 H new ATOM 0 HA3 GLY A 92 9.919 -7.971 7.238 1.00 4.33 H new ATOM 1396 N ASN A 93 8.027 -5.778 6.069 1.00 72.42 N ATOM 1397 CA ASN A 93 7.130 -4.620 6.294 1.00 33.24 C ATOM 1398 C ASN A 93 6.126 -4.817 7.418 1.00 12.45 C ATOM 1399 O ASN A 93 5.414 -3.893 7.718 1.00 74.23 O ATOM 1400 CB ASN A 93 6.342 -4.188 5.043 1.00 44.11 C ATOM 1401 CG ASN A 93 5.211 -5.136 4.671 1.00 30.43 C ATOM 1402 OD1 ASN A 93 4.118 -5.005 5.156 1.00 32.45 O ATOM 1403 ND2 ASN A 93 5.445 -6.061 3.800 1.00 40.45 N ATOM 0 H ASN A 93 7.758 -6.364 5.279 1.00 72.42 H new ATOM 0 HA ASN A 93 7.834 -3.836 6.573 1.00 33.24 H new ATOM 0 HB2 ASN A 93 5.929 -3.193 5.211 1.00 44.11 H new ATOM 0 HB3 ASN A 93 7.030 -4.110 4.201 1.00 44.11 H new ATOM 0 HD21 ASN A 93 4.697 -6.693 3.514 1.00 40.45 H new ATOM 0 HD22 ASN A 93 6.377 -6.159 3.398 1.00 40.45 H new ATOM 1410 N SER A 94 6.035 -6.004 7.993 1.00 61.01 N ATOM 1411 CA SER A 94 4.957 -6.369 8.945 1.00 11.43 C ATOM 1412 C SER A 94 4.627 -5.296 10.035 1.00 10.21 C ATOM 1413 O SER A 94 3.461 -5.072 10.352 1.00 60.34 O ATOM 1414 CB SER A 94 5.294 -7.717 9.566 1.00 44.10 C ATOM 1415 OG SER A 94 6.679 -7.773 9.885 1.00 44.23 O ATOM 0 H SER A 94 6.702 -6.757 7.823 1.00 61.01 H new ATOM 0 HA SER A 94 4.035 -6.427 8.366 1.00 11.43 H new ATOM 0 HB2 SER A 94 4.699 -7.871 10.466 1.00 44.10 H new ATOM 0 HB3 SER A 94 5.039 -8.519 8.874 1.00 44.10 H new ATOM 0 HG SER A 94 6.888 -8.643 10.286 1.00 44.23 H new ATOM 1421 N ILE A 95 5.634 -4.632 10.574 1.00 11.05 N ATOM 1422 CA ILE A 95 5.394 -3.570 11.562 1.00 52.51 C ATOM 1423 C ILE A 95 4.943 -2.277 10.836 1.00 64.01 C ATOM 1424 O ILE A 95 4.027 -1.569 11.266 1.00 0.40 O ATOM 1425 CB ILE A 95 6.661 -3.272 12.466 1.00 0.23 C ATOM 1426 CG1 ILE A 95 7.045 -4.475 13.375 1.00 35.53 C ATOM 1427 CG2 ILE A 95 6.455 -2.027 13.330 1.00 12.21 C ATOM 1428 CD1 ILE A 95 7.643 -5.679 12.664 1.00 11.24 C ATOM 0 H ILE A 95 6.616 -4.798 10.355 1.00 11.05 H new ATOM 0 HA ILE A 95 4.607 -3.921 12.230 1.00 52.51 H new ATOM 0 HB ILE A 95 7.484 -3.096 11.773 1.00 0.23 H new ATOM 0 HG12 ILE A 95 7.758 -4.128 14.123 1.00 35.53 H new ATOM 0 HG13 ILE A 95 6.153 -4.800 13.911 1.00 35.53 H new ATOM 0 HG21 ILE A 95 7.344 -1.854 13.936 1.00 12.21 H new ATOM 0 HG22 ILE A 95 6.280 -1.164 12.688 1.00 12.21 H new ATOM 0 HG23 ILE A 95 5.594 -2.175 13.982 1.00 12.21 H new ATOM 0 HD11 ILE A 95 7.872 -6.456 13.394 1.00 11.24 H new ATOM 0 HD12 ILE A 95 6.928 -6.064 11.937 1.00 11.24 H new ATOM 0 HD13 ILE A 95 8.558 -5.382 12.151 1.00 11.24 H new ATOM 1440 N ARG A 96 5.568 -2.032 9.710 1.00 13.43 N ATOM 1441 CA ARG A 96 5.340 -0.857 8.888 1.00 25.30 C ATOM 1442 C ARG A 96 3.938 -0.812 8.297 1.00 40.12 C ATOM 1443 O ARG A 96 3.280 0.236 8.330 1.00 35.55 O ATOM 1444 CB ARG A 96 6.386 -0.825 7.789 1.00 61.25 C ATOM 1445 CG ARG A 96 7.763 -0.462 8.289 1.00 53.31 C ATOM 1446 CD ARG A 96 7.817 1.021 8.589 1.00 74.14 C ATOM 1447 NE ARG A 96 7.556 1.777 7.371 1.00 13.42 N ATOM 1448 CZ ARG A 96 6.846 2.893 7.244 1.00 62.04 C ATOM 1449 NH1 ARG A 96 6.242 3.446 8.294 1.00 44.04 N ATOM 1450 NH2 ARG A 96 6.755 3.447 6.040 1.00 32.14 N ATOM 0 H ARG A 96 6.272 -2.661 9.324 1.00 13.43 H new ATOM 0 HA ARG A 96 5.427 0.025 9.523 1.00 25.30 H new ATOM 0 HB2 ARG A 96 6.427 -1.802 7.307 1.00 61.25 H new ATOM 0 HB3 ARG A 96 6.082 -0.107 7.028 1.00 61.25 H new ATOM 0 HG2 ARG A 96 7.998 -1.034 9.187 1.00 53.31 H new ATOM 0 HG3 ARG A 96 8.513 -0.720 7.541 1.00 53.31 H new ATOM 0 HD2 ARG A 96 7.080 1.275 9.351 1.00 74.14 H new ATOM 0 HD3 ARG A 96 8.795 1.286 8.990 1.00 74.14 H new ATOM 0 HE ARG A 96 7.967 1.406 6.515 1.00 13.42 H new ATOM 0 HH11 ARG A 96 6.320 3.013 9.214 1.00 44.04 H new ATOM 0 HH12 ARG A 96 5.701 4.303 8.178 1.00 44.04 H new ATOM 0 HH21 ARG A 96 7.223 3.015 5.243 1.00 32.14 H new ATOM 0 HH22 ARG A 96 6.217 4.304 5.912 1.00 32.14 H new ATOM 1464 N SER A 97 3.482 -1.931 7.778 1.00 40.13 N ATOM 1465 CA SER A 97 2.179 -2.022 7.173 1.00 71.52 C ATOM 1466 C SER A 97 1.064 -1.755 8.158 1.00 10.53 C ATOM 1467 O SER A 97 0.093 -1.100 7.816 1.00 45.04 O ATOM 1468 CB SER A 97 2.013 -3.364 6.516 1.00 73.33 C ATOM 1469 OG SER A 97 2.508 -4.391 7.345 1.00 62.13 O ATOM 0 H SER A 97 4.009 -2.804 7.766 1.00 40.13 H new ATOM 0 HA SER A 97 2.111 -1.242 6.415 1.00 71.52 H new ATOM 0 HB2 SER A 97 0.959 -3.541 6.300 1.00 73.33 H new ATOM 0 HB3 SER A 97 2.540 -3.375 5.562 1.00 73.33 H new ATOM 0 HG SER A 97 3.191 -4.901 6.861 1.00 62.13 H new ATOM 1475 N SER A 98 1.228 -2.222 9.389 1.00 32.23 N ATOM 1476 CA SER A 98 0.238 -2.015 10.425 1.00 51.50 C ATOM 1477 C SER A 98 0.010 -0.505 10.640 1.00 23.34 C ATOM 1478 O SER A 98 -1.131 -0.050 10.776 1.00 55.24 O ATOM 1479 CB SER A 98 0.681 -2.707 11.729 1.00 52.11 C ATOM 1480 OG SER A 98 -0.317 -2.625 12.736 1.00 51.24 O ATOM 0 H SER A 98 2.046 -2.751 9.691 1.00 32.23 H new ATOM 0 HA SER A 98 -0.708 -2.460 10.115 1.00 51.50 H new ATOM 0 HB2 SER A 98 0.907 -3.754 11.526 1.00 52.11 H new ATOM 0 HB3 SER A 98 1.600 -2.247 12.090 1.00 52.11 H new ATOM 0 HG SER A 98 -0.001 -3.076 13.547 1.00 51.24 H new ATOM 1486 N ALA A 99 1.096 0.254 10.635 1.00 11.45 N ATOM 1487 CA ALA A 99 1.022 1.697 10.779 1.00 10.12 C ATOM 1488 C ALA A 99 0.414 2.333 9.529 1.00 72.53 C ATOM 1489 O ALA A 99 -0.458 3.194 9.622 1.00 22.04 O ATOM 1490 CB ALA A 99 2.399 2.277 11.065 1.00 44.14 C ATOM 0 H ALA A 99 2.043 -0.110 10.532 1.00 11.45 H new ATOM 0 HA ALA A 99 0.374 1.925 11.625 1.00 10.12 H new ATOM 0 HB1 ALA A 99 2.323 3.359 11.170 1.00 44.14 H new ATOM 0 HB2 ALA A 99 2.789 1.849 11.989 1.00 44.14 H new ATOM 0 HB3 ALA A 99 3.072 2.038 10.242 1.00 44.14 H new ATOM 1496 N LEU A 100 0.877 1.879 8.363 1.00 2.44 N ATOM 1497 CA LEU A 100 0.421 2.368 7.075 1.00 13.34 C ATOM 1498 C LEU A 100 -1.084 2.193 6.935 1.00 24.14 C ATOM 1499 O LEU A 100 -1.783 3.117 6.544 1.00 41.01 O ATOM 1500 CB LEU A 100 1.123 1.596 5.970 1.00 62.43 C ATOM 1501 CG LEU A 100 0.977 2.146 4.550 1.00 72.20 C ATOM 1502 CD1 LEU A 100 1.565 3.542 4.452 1.00 50.24 C ATOM 1503 CD2 LEU A 100 1.645 1.218 3.555 1.00 50.41 C ATOM 0 H LEU A 100 1.589 1.152 8.293 1.00 2.44 H new ATOM 0 HA LEU A 100 0.657 3.430 6.999 1.00 13.34 H new ATOM 0 HB2 LEU A 100 2.185 1.549 6.209 1.00 62.43 H new ATOM 0 HB3 LEU A 100 0.749 0.572 5.979 1.00 62.43 H new ATOM 0 HG LEU A 100 -0.085 2.206 4.312 1.00 72.20 H new ATOM 0 HD11 LEU A 100 1.451 3.914 3.434 1.00 50.24 H new ATOM 0 HD12 LEU A 100 1.044 4.206 5.142 1.00 50.24 H new ATOM 0 HD13 LEU A 100 2.624 3.510 4.710 1.00 50.24 H new ATOM 0 HD21 LEU A 100 1.533 1.622 2.549 1.00 50.41 H new ATOM 0 HD22 LEU A 100 2.705 1.129 3.795 1.00 50.41 H new ATOM 0 HD23 LEU A 100 1.178 0.234 3.605 1.00 50.41 H new ATOM 1515 N ILE A 101 -1.567 1.016 7.319 1.00 0.43 N ATOM 1516 CA ILE A 101 -2.997 0.689 7.244 1.00 34.34 C ATOM 1517 C ILE A 101 -3.810 1.678 8.077 1.00 44.04 C ATOM 1518 O ILE A 101 -4.815 2.193 7.597 1.00 11.24 O ATOM 1519 CB ILE A 101 -3.298 -0.782 7.726 1.00 64.50 C ATOM 1520 CG1 ILE A 101 -2.692 -1.840 6.770 1.00 3.42 C ATOM 1521 CG2 ILE A 101 -4.798 -1.031 7.915 1.00 63.34 C ATOM 1522 CD1 ILE A 101 -3.269 -1.844 5.363 1.00 34.13 C ATOM 0 H ILE A 101 -0.988 0.263 7.689 1.00 0.43 H new ATOM 0 HA ILE A 101 -3.288 0.762 6.196 1.00 34.34 H new ATOM 0 HB ILE A 101 -2.815 -0.888 8.698 1.00 64.50 H new ATOM 0 HG12 ILE A 101 -1.617 -1.674 6.704 1.00 3.42 H new ATOM 0 HG13 ILE A 101 -2.836 -2.828 7.208 1.00 3.42 H new ATOM 0 HG21 ILE A 101 -4.958 -2.057 8.247 1.00 63.34 H new ATOM 0 HG22 ILE A 101 -5.190 -0.342 8.663 1.00 63.34 H new ATOM 0 HG23 ILE A 101 -5.315 -0.872 6.969 1.00 63.34 H new ATOM 0 HD11 ILE A 101 -2.781 -2.618 4.772 1.00 34.13 H new ATOM 0 HD12 ILE A 101 -4.340 -2.044 5.409 1.00 34.13 H new ATOM 0 HD13 ILE A 101 -3.101 -0.873 4.898 1.00 34.13 H new ATOM 1534 N GLY A 102 -3.315 1.995 9.278 1.00 0.41 N ATOM 1535 CA GLY A 102 -4.003 2.937 10.161 1.00 31.42 C ATOM 1536 C GLY A 102 -4.146 4.308 9.538 1.00 34.02 C ATOM 1537 O GLY A 102 -5.174 4.972 9.657 1.00 73.13 O ATOM 0 H GLY A 102 -2.447 1.616 9.657 1.00 0.41 H new ATOM 0 HA2 GLY A 102 -4.991 2.547 10.406 1.00 31.42 H new ATOM 0 HA3 GLY A 102 -3.452 3.022 11.098 1.00 31.42 H new ATOM 1541 N ILE A 103 -3.125 4.716 8.854 1.00 22.35 N ATOM 1542 CA ILE A 103 -3.111 5.995 8.194 1.00 63.22 C ATOM 1543 C ILE A 103 -4.064 5.994 6.999 1.00 23.45 C ATOM 1544 O ILE A 103 -4.786 6.973 6.755 1.00 31.23 O ATOM 1545 CB ILE A 103 -1.674 6.345 7.758 1.00 42.34 C ATOM 1546 CG1 ILE A 103 -0.783 6.427 8.998 1.00 34.43 C ATOM 1547 CG2 ILE A 103 -1.630 7.656 6.959 1.00 35.33 C ATOM 1548 CD1 ILE A 103 0.684 6.430 8.698 1.00 30.12 C ATOM 0 H ILE A 103 -2.270 4.173 8.733 1.00 22.35 H new ATOM 0 HA ILE A 103 -3.455 6.758 8.892 1.00 63.22 H new ATOM 0 HB ILE A 103 -1.304 5.561 7.097 1.00 42.34 H new ATOM 0 HG12 ILE A 103 -1.032 7.333 9.551 1.00 34.43 H new ATOM 0 HG13 ILE A 103 -1.008 5.583 9.650 1.00 34.43 H new ATOM 0 HG21 ILE A 103 -0.602 7.871 6.669 1.00 35.33 H new ATOM 0 HG22 ILE A 103 -2.247 7.558 6.065 1.00 35.33 H new ATOM 0 HG23 ILE A 103 -2.011 8.471 7.575 1.00 35.33 H new ATOM 0 HD11 ILE A 103 1.246 6.490 9.630 1.00 30.12 H new ATOM 0 HD12 ILE A 103 0.950 5.513 8.173 1.00 30.12 H new ATOM 0 HD13 ILE A 103 0.926 7.289 8.073 1.00 30.12 H new ATOM 1560 N ILE A 104 -4.084 4.885 6.294 1.00 3.24 N ATOM 1561 CA ILE A 104 -4.907 4.743 5.123 1.00 21.44 C ATOM 1562 C ILE A 104 -6.385 4.748 5.509 1.00 73.23 C ATOM 1563 O ILE A 104 -7.161 5.532 4.966 1.00 40.03 O ATOM 1564 CB ILE A 104 -4.551 3.436 4.351 1.00 34.42 C ATOM 1565 CG1 ILE A 104 -3.123 3.517 3.787 1.00 73.22 C ATOM 1566 CG2 ILE A 104 -5.549 3.166 3.230 1.00 5.31 C ATOM 1567 CD1 ILE A 104 -2.624 2.215 3.184 1.00 75.22 C ATOM 0 H ILE A 104 -3.529 4.059 6.519 1.00 3.24 H new ATOM 0 HA ILE A 104 -4.715 5.590 4.465 1.00 21.44 H new ATOM 0 HB ILE A 104 -4.604 2.606 5.056 1.00 34.42 H new ATOM 0 HG12 ILE A 104 -3.088 4.296 3.025 1.00 73.22 H new ATOM 0 HG13 ILE A 104 -2.445 3.820 4.585 1.00 73.22 H new ATOM 0 HG21 ILE A 104 -5.273 2.248 2.711 1.00 5.31 H new ATOM 0 HG22 ILE A 104 -6.549 3.059 3.651 1.00 5.31 H new ATOM 0 HG23 ILE A 104 -5.539 3.998 2.526 1.00 5.31 H new ATOM 0 HD11 ILE A 104 -1.610 2.353 2.808 1.00 75.22 H new ATOM 0 HD12 ILE A 104 -2.625 1.437 3.947 1.00 75.22 H new ATOM 0 HD13 ILE A 104 -3.278 1.920 2.364 1.00 75.22 H new ATOM 1579 N GLU A 105 -6.743 3.935 6.492 1.00 41.34 N ATOM 1580 CA GLU A 105 -8.127 3.821 6.923 1.00 63.44 C ATOM 1581 C GLU A 105 -8.603 5.123 7.540 1.00 71.13 C ATOM 1582 O GLU A 105 -9.670 5.628 7.187 1.00 24.25 O ATOM 1583 CB GLU A 105 -8.302 2.614 7.880 1.00 30.44 C ATOM 1584 CG GLU A 105 -7.511 2.697 9.184 1.00 44.13 C ATOM 1585 CD GLU A 105 -8.301 3.255 10.361 1.00 25.13 C ATOM 1586 OE1 GLU A 105 -9.542 3.371 10.268 1.00 71.34 O ATOM 1587 OE2 GLU A 105 -7.691 3.609 11.386 1.00 21.14 O ATOM 0 H GLU A 105 -6.091 3.343 7.007 1.00 41.34 H new ATOM 0 HA GLU A 105 -8.755 3.632 6.053 1.00 63.44 H new ATOM 0 HB2 GLU A 105 -9.360 2.513 8.122 1.00 30.44 H new ATOM 0 HB3 GLU A 105 -8.007 1.707 7.352 1.00 30.44 H new ATOM 0 HG2 GLU A 105 -7.152 1.701 9.442 1.00 44.13 H new ATOM 0 HG3 GLU A 105 -6.632 3.321 9.023 1.00 44.13 H new ATOM 1594 N GLY A 106 -7.756 5.699 8.380 1.00 22.44 N ATOM 1595 CA GLY A 106 -8.087 6.909 9.095 1.00 51.30 C ATOM 1596 C GLY A 106 -8.390 8.067 8.180 1.00 11.22 C ATOM 1597 O GLY A 106 -9.391 8.754 8.360 1.00 41.40 O ATOM 0 H GLY A 106 -6.824 5.337 8.581 1.00 22.44 H new ATOM 0 HA2 GLY A 106 -8.950 6.723 9.735 1.00 51.30 H new ATOM 0 HA3 GLY A 106 -7.257 7.177 9.749 1.00 51.30 H new ATOM 1601 N ASN A 107 -7.580 8.236 7.149 1.00 65.35 N ATOM 1602 CA ASN A 107 -7.759 9.344 6.204 1.00 3.53 C ATOM 1603 C ASN A 107 -9.080 9.186 5.461 1.00 31.44 C ATOM 1604 O ASN A 107 -9.789 10.154 5.205 1.00 61.51 O ATOM 1605 CB ASN A 107 -6.579 9.399 5.217 1.00 12.04 C ATOM 1606 CG ASN A 107 -6.650 10.561 4.230 1.00 64.34 C ATOM 1607 OD1 ASN A 107 -6.196 11.665 4.525 1.00 52.13 O ATOM 1608 ND2 ASN A 107 -7.158 10.315 3.042 1.00 12.14 N ATOM 0 H ASN A 107 -6.791 7.625 6.938 1.00 65.35 H new ATOM 0 HA ASN A 107 -7.784 10.283 6.757 1.00 3.53 H new ATOM 0 HB2 ASN A 107 -5.649 9.471 5.781 1.00 12.04 H new ATOM 0 HB3 ASN A 107 -6.541 8.463 4.659 1.00 12.04 H new ATOM 0 HD21 ASN A 107 -7.183 11.050 2.336 1.00 12.14 H new ATOM 0 HD22 ASN A 107 -7.527 9.389 2.827 1.00 12.14 H new ATOM 1615 N ILE A 108 -9.411 7.950 5.165 1.00 24.52 N ATOM 1616 CA ILE A 108 -10.652 7.608 4.499 1.00 64.51 C ATOM 1617 C ILE A 108 -11.849 7.874 5.398 1.00 24.23 C ATOM 1618 O ILE A 108 -12.822 8.507 4.961 1.00 63.30 O ATOM 1619 CB ILE A 108 -10.642 6.131 4.047 1.00 74.43 C ATOM 1620 CG1 ILE A 108 -9.554 5.920 3.006 1.00 52.41 C ATOM 1621 CG2 ILE A 108 -12.007 5.697 3.505 1.00 63.43 C ATOM 1622 CD1 ILE A 108 -9.273 4.484 2.720 1.00 24.43 C ATOM 0 H ILE A 108 -8.823 7.145 5.381 1.00 24.52 H new ATOM 0 HA ILE A 108 -10.740 8.242 3.617 1.00 64.51 H new ATOM 0 HB ILE A 108 -10.430 5.509 4.916 1.00 74.43 H new ATOM 0 HG12 ILE A 108 -9.847 6.416 2.081 1.00 52.41 H new ATOM 0 HG13 ILE A 108 -8.637 6.400 3.348 1.00 52.41 H new ATOM 0 HG21 ILE A 108 -11.961 4.652 3.197 1.00 63.43 H new ATOM 0 HG22 ILE A 108 -12.761 5.813 4.283 1.00 63.43 H new ATOM 0 HG23 ILE A 108 -12.272 6.316 2.648 1.00 63.43 H new ATOM 0 HD11 ILE A 108 -8.487 4.410 1.969 1.00 24.43 H new ATOM 0 HD12 ILE A 108 -8.949 3.987 3.635 1.00 24.43 H new ATOM 0 HD13 ILE A 108 -10.178 4.003 2.347 1.00 24.43 H new ATOM 1634 N ARG A 109 -11.775 7.404 6.651 1.00 0.34 N ATOM 1635 CA ARG A 109 -12.891 7.567 7.569 1.00 33.20 C ATOM 1636 C ARG A 109 -13.169 9.025 7.769 1.00 10.21 C ATOM 1637 O ARG A 109 -14.261 9.448 7.595 1.00 33.50 O ATOM 1638 CB ARG A 109 -12.635 6.996 8.944 1.00 55.15 C ATOM 1639 CG ARG A 109 -12.072 5.603 9.045 1.00 44.41 C ATOM 1640 CD ARG A 109 -12.107 5.175 10.497 1.00 14.01 C ATOM 1641 NE ARG A 109 -11.729 6.295 11.375 1.00 71.13 N ATOM 1642 CZ ARG A 109 -10.625 6.377 12.096 1.00 5.21 C ATOM 1643 NH1 ARG A 109 -9.707 5.416 12.039 1.00 71.23 N ATOM 1644 NH2 ARG A 109 -10.422 7.467 12.821 1.00 51.54 N ATOM 0 H ARG A 109 -10.967 6.918 7.039 1.00 0.34 H new ATOM 0 HA ARG A 109 -13.723 7.031 7.112 1.00 33.20 H new ATOM 0 HB2 ARG A 109 -11.952 7.669 9.462 1.00 55.15 H new ATOM 0 HB3 ARG A 109 -13.577 7.015 9.492 1.00 55.15 H new ATOM 0 HG2 ARG A 109 -12.654 4.914 8.433 1.00 44.41 H new ATOM 0 HG3 ARG A 109 -11.050 5.579 8.668 1.00 44.41 H new ATOM 0 HD2 ARG A 109 -13.106 4.825 10.755 1.00 14.01 H new ATOM 0 HD3 ARG A 109 -11.426 4.338 10.652 1.00 14.01 H new ATOM 0 HE ARG A 109 -12.379 7.079 11.432 1.00 71.13 H new ATOM 0 HH11 ARG A 109 -9.852 4.607 11.435 1.00 71.23 H new ATOM 0 HH12 ARG A 109 -8.858 5.488 12.599 1.00 71.23 H new ATOM 0 HH21 ARG A 109 -11.111 8.220 12.814 1.00 51.54 H new ATOM 0 HH22 ARG A 109 -9.577 7.554 13.386 1.00 51.54 H new ATOM 1658 N TYR A 110 -12.127 9.793 8.078 1.00 0.52 N ATOM 1659 CA TYR A 110 -12.257 11.242 8.319 1.00 35.04 C ATOM 1660 C TYR A 110 -12.859 11.984 7.151 1.00 41.21 C ATOM 1661 O TYR A 110 -13.574 12.955 7.349 1.00 63.33 O ATOM 1662 CB TYR A 110 -10.949 11.921 8.776 1.00 75.33 C ATOM 1663 CG TYR A 110 -10.551 11.688 10.223 1.00 24.04 C ATOM 1664 CD1 TYR A 110 -11.015 12.528 11.224 1.00 74.52 C ATOM 1665 CD2 TYR A 110 -9.704 10.655 10.585 1.00 12.44 C ATOM 1666 CE1 TYR A 110 -10.650 12.337 12.542 1.00 42.01 C ATOM 1667 CE2 TYR A 110 -9.336 10.457 11.898 1.00 13.34 C ATOM 1668 CZ TYR A 110 -9.812 11.300 12.873 1.00 40.32 C ATOM 1669 OH TYR A 110 -9.453 11.102 14.188 1.00 32.54 O ATOM 0 H TYR A 110 -11.174 9.440 8.170 1.00 0.52 H new ATOM 0 HA TYR A 110 -12.955 11.308 9.153 1.00 35.04 H new ATOM 0 HB2 TYR A 110 -10.139 11.572 8.136 1.00 75.33 H new ATOM 0 HB3 TYR A 110 -11.044 12.995 8.614 1.00 75.33 H new ATOM 0 HD1 TYR A 110 -11.673 13.345 10.968 1.00 74.52 H new ATOM 0 HD2 TYR A 110 -9.324 9.991 9.823 1.00 12.44 H new ATOM 0 HE1 TYR A 110 -11.022 13.000 13.309 1.00 42.01 H new ATOM 0 HE2 TYR A 110 -8.676 9.643 12.160 1.00 13.34 H new ATOM 0 HH TYR A 110 -8.857 10.327 14.251 1.00 32.54 H new ATOM 1679 N ALA A 111 -12.530 11.556 5.940 1.00 64.52 N ATOM 1680 CA ALA A 111 -13.025 12.218 4.755 1.00 21.21 C ATOM 1681 C ALA A 111 -14.544 12.154 4.730 1.00 50.41 C ATOM 1682 O ALA A 111 -15.214 13.131 4.414 1.00 51.40 O ATOM 1683 CB ALA A 111 -12.438 11.584 3.500 1.00 33.32 C ATOM 0 H ALA A 111 -11.924 10.756 5.759 1.00 64.52 H new ATOM 0 HA ALA A 111 -12.716 13.263 4.778 1.00 21.21 H new ATOM 0 HB1 ALA A 111 -12.823 12.097 2.619 1.00 33.32 H new ATOM 0 HB2 ALA A 111 -11.352 11.669 3.523 1.00 33.32 H new ATOM 0 HB3 ALA A 111 -12.719 10.532 3.459 1.00 33.32 H new ATOM 1689 N ASN A 112 -15.072 10.985 5.013 1.00 62.35 N ATOM 1690 CA ASN A 112 -16.503 10.817 5.096 1.00 73.35 C ATOM 1691 C ASN A 112 -17.064 11.291 6.447 1.00 24.33 C ATOM 1692 O ASN A 112 -18.107 11.944 6.501 1.00 74.03 O ATOM 1693 CB ASN A 112 -16.899 9.352 4.817 1.00 4.34 C ATOM 1694 CG ASN A 112 -18.417 9.096 4.802 1.00 73.14 C ATOM 1695 OD1 ASN A 112 -19.204 10.072 4.400 1.00 23.43 O flip ATOM 1696 ND2 ASN A 112 -18.872 8.012 5.133 1.00 55.23 N flip ATOM 0 H ASN A 112 -14.532 10.138 5.189 1.00 62.35 H new ATOM 0 HA ASN A 112 -16.948 11.448 4.326 1.00 73.35 H new ATOM 0 HB2 ASN A 112 -16.483 9.053 3.855 1.00 4.34 H new ATOM 0 HB3 ASN A 112 -16.443 8.714 5.574 1.00 4.34 H new ATOM 0 HD21 ASN A 112 -18.245 7.269 5.442 1.00 55.23 H new ATOM 0 HD22 ASN A 112 -19.879 7.850 5.101 1.00 55.23 H new