USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 932 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 14 MET CE :methyl -165:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 MET CE :methyl -173:sc= -2.46! (180deg=-2.7) USER MOD Set 1.3: A 113 HIS : no HE2:sc= -1.84 K(o=-4.3,f=-6.1) USER MOD Set 2.1: A 37 TYR OH : rot 165:sc= 0.951 USER MOD Set 2.2: A 49 HIS : no HD1:sc= 0.848 K(o=2.6,f=-6.8!) USER MOD Set 2.3: A 77 HIS : no HD1:sc= 0.904 K(o=2.6,f=-4.4!) USER MOD Set 2.4: A 78 MET CE :methyl 132:sc= -0.146 (180deg=-0.562) USER MOD Set 2.5: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 TYR OH : rot -130:sc= 0.631 USER MOD Set 3.2: A 98 MET CE :methyl 154:sc= -0.129 (180deg=-0.613) USER MOD Set 3.3: A 114 LYS NZ :NH3+ 142:sc= 0.716 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -143:sc= -0.501 USER MOD Set 4.2: A 112 ASN : amide:sc= -0.409 X(o=-0.91,f=-0.5) USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-2.28!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 10 ASN : amide:sc= 0.034 X(o=0.034,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 75:sc= -0.18 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.631 F(o=-1.2,f=-0.63) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc=-0.00644 (180deg=-0.111) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.291 USER MOD Single : A 36 SER OG : rot 41:sc= 0.0866 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.7) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 48 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.18) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0.207 (180deg=0.202) USER MOD Single : A 54 GLN : amide:sc= 0.394 K(o=0.39,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.912 (180deg=-2.44!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 38:sc= 0.117 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 160:sc=-0.00519 USER MOD Single : A 95 THR OG1 : rot -52:sc= 0.269 USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 TYR OH : rot -66:sc= 0.0183 USER MOD Single : A 102 THR OG1 : rot 160:sc= -0.415 USER MOD Single : A 103 SER OG : rot 180:sc= -0.153 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 143:sc= 1.34 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -171:sc=-0.00878 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.959 17.003 -1.700 1.00 22.15 N ATOM 2 CA MET A 1 -5.243 16.696 -2.969 1.00 32.10 C ATOM 3 C MET A 1 -6.272 16.344 -4.068 1.00 62.13 C ATOM 4 O MET A 1 -7.019 15.366 -3.925 1.00 22.52 O ATOM 5 CB MET A 1 -4.245 15.528 -2.736 1.00 74.45 C ATOM 6 CG MET A 1 -3.087 15.447 -3.734 1.00 44.32 C ATOM 7 SD MET A 1 -1.990 16.877 -3.590 1.00 14.24 S ATOM 8 CE MET A 1 -0.512 16.295 -4.415 1.00 51.14 C ATOM 0 H1 MET A 1 -5.268 17.240 -0.960 1.00 22.15 H new ATOM 0 H2 MET A 1 -6.598 17.810 -1.848 1.00 22.15 H new ATOM 0 H3 MET A 1 -6.512 16.174 -1.404 1.00 22.15 H new ATOM 0 HA MET A 1 -4.675 17.567 -3.297 1.00 32.10 H new ATOM 0 HB2 MET A 1 -3.831 15.620 -1.732 1.00 74.45 H new ATOM 0 HB3 MET A 1 -4.797 14.589 -2.768 1.00 74.45 H new ATOM 0 HG2 MET A 1 -2.520 14.532 -3.562 1.00 44.32 H new ATOM 0 HG3 MET A 1 -3.482 15.390 -4.748 1.00 44.32 H new ATOM 0 HE1 MET A 1 0.367 16.721 -3.931 1.00 51.14 H new ATOM 0 HE2 MET A 1 -0.467 15.207 -4.357 1.00 51.14 H new ATOM 0 HE3 MET A 1 -0.534 16.602 -5.461 1.00 51.14 H new ATOM 20 N LYS A 2 -6.319 17.152 -5.148 1.00 0.01 N ATOM 21 CA LYS A 2 -7.327 17.005 -6.233 1.00 40.11 C ATOM 22 C LYS A 2 -7.038 15.780 -7.137 1.00 72.45 C ATOM 23 O LYS A 2 -5.897 15.546 -7.547 1.00 43.13 O ATOM 24 CB LYS A 2 -7.412 18.302 -7.109 1.00 60.42 C ATOM 25 CG LYS A 2 -8.182 19.494 -6.477 1.00 50.30 C ATOM 26 CD LYS A 2 -7.478 20.131 -5.256 1.00 3.32 C ATOM 27 CE LYS A 2 -8.279 21.309 -4.669 1.00 54.20 C ATOM 28 NZ LYS A 2 -7.581 21.946 -3.522 1.00 21.35 N ATOM 0 H LYS A 2 -5.666 17.921 -5.297 1.00 0.01 H new ATOM 0 HA LYS A 2 -8.287 16.844 -5.743 1.00 40.11 H new ATOM 0 HB2 LYS A 2 -6.398 18.630 -7.339 1.00 60.42 H new ATOM 0 HB3 LYS A 2 -7.888 18.048 -8.056 1.00 60.42 H new ATOM 0 HG2 LYS A 2 -8.329 20.261 -7.238 1.00 50.30 H new ATOM 0 HG3 LYS A 2 -9.172 19.152 -6.174 1.00 50.30 H new ATOM 0 HD2 LYS A 2 -7.334 19.373 -4.486 1.00 3.32 H new ATOM 0 HD3 LYS A 2 -6.488 20.479 -5.551 1.00 3.32 H new ATOM 0 HE2 LYS A 2 -8.450 22.053 -5.447 1.00 54.20 H new ATOM 0 HE3 LYS A 2 -9.258 20.955 -4.345 1.00 54.20 H new ATOM 0 HZ1 LYS A 2 -8.156 22.733 -3.159 1.00 21.35 H new ATOM 0 HZ2 LYS A 2 -7.440 21.244 -2.768 1.00 21.35 H new ATOM 0 HZ3 LYS A 2 -6.658 22.308 -3.835 1.00 21.35 H new ATOM 42 N VAL A 3 -8.095 14.989 -7.414 1.00 1.01 N ATOM 43 CA VAL A 3 -8.054 13.915 -8.428 1.00 33.05 C ATOM 44 C VAL A 3 -7.927 14.526 -9.851 1.00 71.24 C ATOM 45 O VAL A 3 -8.751 15.341 -10.268 1.00 62.32 O ATOM 46 CB VAL A 3 -9.316 12.977 -8.332 1.00 35.05 C ATOM 47 CG1 VAL A 3 -9.265 11.839 -9.388 1.00 54.15 C ATOM 48 CG2 VAL A 3 -9.463 12.400 -6.899 1.00 51.41 C ATOM 0 H VAL A 3 -8.996 15.076 -6.944 1.00 1.01 H new ATOM 0 HA VAL A 3 -7.177 13.299 -8.230 1.00 33.05 H new ATOM 0 HB VAL A 3 -10.196 13.583 -8.549 1.00 35.05 H new ATOM 0 HG11 VAL A 3 -10.152 11.213 -9.291 1.00 54.15 H new ATOM 0 HG12 VAL A 3 -9.234 12.272 -10.388 1.00 54.15 H new ATOM 0 HG13 VAL A 3 -8.373 11.233 -9.227 1.00 54.15 H new ATOM 0 HG21 VAL A 3 -10.341 11.755 -6.855 1.00 51.41 H new ATOM 0 HG22 VAL A 3 -8.574 11.821 -6.647 1.00 51.41 H new ATOM 0 HG23 VAL A 3 -9.577 13.218 -6.187 1.00 51.41 H new ATOM 58 N GLY A 4 -6.891 14.103 -10.576 1.00 62.34 N ATOM 59 CA GLY A 4 -6.523 14.679 -11.879 1.00 5.14 C ATOM 60 C GLY A 4 -5.268 15.558 -11.818 1.00 30.25 C ATOM 61 O GLY A 4 -4.873 16.147 -12.828 1.00 60.44 O ATOM 0 H GLY A 4 -6.276 13.346 -10.277 1.00 62.34 H new ATOM 0 HA2 GLY A 4 -6.359 13.872 -12.593 1.00 5.14 H new ATOM 0 HA3 GLY A 4 -7.356 15.272 -12.255 1.00 5.14 H new ATOM 65 N SER A 5 -4.650 15.665 -10.620 1.00 54.33 N ATOM 66 CA SER A 5 -3.396 16.437 -10.412 1.00 30.53 C ATOM 67 C SER A 5 -2.159 15.649 -10.888 1.00 73.12 C ATOM 68 O SER A 5 -2.027 14.458 -10.600 1.00 32.52 O ATOM 69 CB SER A 5 -3.231 16.796 -8.911 1.00 3.33 C ATOM 70 OG SER A 5 -2.053 17.561 -8.670 1.00 20.55 O ATOM 0 H SER A 5 -5.002 15.222 -9.771 1.00 54.33 H new ATOM 0 HA SER A 5 -3.471 17.349 -11.004 1.00 30.53 H new ATOM 0 HB2 SER A 5 -4.103 17.358 -8.575 1.00 3.33 H new ATOM 0 HB3 SER A 5 -3.195 15.880 -8.321 1.00 3.33 H new ATOM 0 HG SER A 5 -1.987 17.768 -7.714 1.00 20.55 H new ATOM 76 N GLN A 6 -1.245 16.339 -11.596 1.00 24.30 N ATOM 77 CA GLN A 6 0.012 15.739 -12.093 1.00 40.41 C ATOM 78 C GLN A 6 1.097 15.865 -10.999 1.00 23.52 C ATOM 79 O GLN A 6 1.561 16.970 -10.699 1.00 21.11 O ATOM 80 CB GLN A 6 0.469 16.425 -13.412 1.00 5.23 C ATOM 81 CG GLN A 6 1.726 15.795 -14.046 1.00 32.24 C ATOM 82 CD GLN A 6 2.136 16.464 -15.359 1.00 64.23 C ATOM 83 OE1 GLN A 6 2.913 17.414 -15.374 1.00 21.33 O ATOM 84 NE2 GLN A 6 1.610 15.985 -16.469 1.00 42.52 N ATOM 0 H GLN A 6 -1.354 17.323 -11.840 1.00 24.30 H new ATOM 0 HA GLN A 6 -0.153 14.685 -12.315 1.00 40.41 H new ATOM 0 HB2 GLN A 6 -0.348 16.384 -14.132 1.00 5.23 H new ATOM 0 HB3 GLN A 6 0.665 17.478 -13.212 1.00 5.23 H new ATOM 0 HG2 GLN A 6 2.553 15.859 -13.339 1.00 32.24 H new ATOM 0 HG3 GLN A 6 1.542 14.736 -14.227 1.00 32.24 H new ATOM 0 HE21 GLN A 6 0.967 15.194 -16.429 1.00 42.52 H new ATOM 0 HE22 GLN A 6 1.846 16.405 -17.368 1.00 42.52 H new ATOM 93 N VAL A 7 1.490 14.727 -10.408 1.00 23.05 N ATOM 94 CA VAL A 7 2.326 14.691 -9.182 1.00 0.42 C ATOM 95 C VAL A 7 3.630 13.886 -9.380 1.00 42.23 C ATOM 96 O VAL A 7 3.762 13.092 -10.307 1.00 71.51 O ATOM 97 CB VAL A 7 1.508 14.105 -7.959 1.00 12.14 C ATOM 98 CG1 VAL A 7 0.250 14.964 -7.678 1.00 22.32 C ATOM 99 CG2 VAL A 7 1.133 12.613 -8.170 1.00 65.32 C ATOM 0 H VAL A 7 1.242 13.802 -10.760 1.00 23.05 H new ATOM 0 HA VAL A 7 2.606 15.722 -8.966 1.00 0.42 H new ATOM 0 HB VAL A 7 2.155 14.149 -7.083 1.00 12.14 H new ATOM 0 HG11 VAL A 7 -0.297 14.543 -6.834 1.00 22.32 H new ATOM 0 HG12 VAL A 7 0.552 15.985 -7.442 1.00 22.32 H new ATOM 0 HG13 VAL A 7 -0.391 14.969 -8.559 1.00 22.32 H new ATOM 0 HG21 VAL A 7 0.573 12.253 -7.307 1.00 65.32 H new ATOM 0 HG22 VAL A 7 0.521 12.515 -9.066 1.00 65.32 H new ATOM 0 HG23 VAL A 7 2.042 12.022 -8.285 1.00 65.32 H new ATOM 109 N ILE A 8 4.606 14.142 -8.504 1.00 23.42 N ATOM 110 CA ILE A 8 5.850 13.356 -8.398 1.00 25.35 C ATOM 111 C ILE A 8 5.802 12.509 -7.110 1.00 40.22 C ATOM 112 O ILE A 8 5.372 12.992 -6.058 1.00 51.12 O ATOM 113 CB ILE A 8 7.124 14.290 -8.395 1.00 3.35 C ATOM 114 CG1 ILE A 8 7.130 15.220 -9.651 1.00 64.11 C ATOM 115 CG2 ILE A 8 8.444 13.468 -8.308 1.00 44.31 C ATOM 116 CD1 ILE A 8 7.117 14.491 -10.993 1.00 50.54 C ATOM 0 H ILE A 8 4.558 14.912 -7.836 1.00 23.42 H new ATOM 0 HA ILE A 8 5.927 12.703 -9.267 1.00 25.35 H new ATOM 0 HB ILE A 8 7.071 14.914 -7.503 1.00 3.35 H new ATOM 0 HG12 ILE A 8 6.261 15.877 -9.603 1.00 64.11 H new ATOM 0 HG13 ILE A 8 8.014 15.857 -9.609 1.00 64.11 H new ATOM 0 HG21 ILE A 8 9.296 14.147 -8.309 1.00 44.31 H new ATOM 0 HG22 ILE A 8 8.448 12.882 -7.389 1.00 44.31 H new ATOM 0 HG23 ILE A 8 8.513 12.799 -9.165 1.00 44.31 H new ATOM 0 HD11 ILE A 8 7.122 15.220 -11.803 1.00 50.54 H new ATOM 0 HD12 ILE A 8 7.999 13.856 -11.071 1.00 50.54 H new ATOM 0 HD13 ILE A 8 6.220 13.876 -11.064 1.00 50.54 H new ATOM 128 N ILE A 9 6.232 11.248 -7.203 1.00 24.41 N ATOM 129 CA ILE A 9 6.245 10.322 -6.060 1.00 63.32 C ATOM 130 C ILE A 9 7.476 10.613 -5.167 1.00 21.53 C ATOM 131 O ILE A 9 8.617 10.534 -5.619 1.00 14.32 O ATOM 132 CB ILE A 9 6.229 8.832 -6.562 1.00 42.11 C ATOM 133 CG1 ILE A 9 4.983 8.609 -7.488 1.00 73.41 C ATOM 134 CG2 ILE A 9 6.245 7.827 -5.380 1.00 40.40 C ATOM 135 CD1 ILE A 9 4.855 7.225 -8.093 1.00 70.01 C ATOM 0 H ILE A 9 6.581 10.838 -8.069 1.00 24.41 H new ATOM 0 HA ILE A 9 5.348 10.473 -5.459 1.00 63.32 H new ATOM 0 HB ILE A 9 7.136 8.647 -7.137 1.00 42.11 H new ATOM 0 HG12 ILE A 9 4.082 8.818 -6.911 1.00 73.41 H new ATOM 0 HG13 ILE A 9 5.020 9.338 -8.298 1.00 73.41 H new ATOM 0 HG21 ILE A 9 6.233 6.809 -5.768 1.00 40.40 H new ATOM 0 HG22 ILE A 9 7.146 7.978 -4.786 1.00 40.40 H new ATOM 0 HG23 ILE A 9 5.367 7.987 -4.754 1.00 40.40 H new ATOM 0 HD11 ILE A 9 3.961 7.181 -8.714 1.00 70.01 H new ATOM 0 HD12 ILE A 9 5.732 7.013 -8.704 1.00 70.01 H new ATOM 0 HD13 ILE A 9 4.780 6.485 -7.296 1.00 70.01 H new ATOM 147 N ASN A 10 7.214 10.982 -3.905 1.00 74.03 N ATOM 148 CA ASN A 10 8.253 11.381 -2.933 1.00 13.50 C ATOM 149 C ASN A 10 8.978 10.132 -2.371 1.00 74.03 C ATOM 150 O ASN A 10 10.207 10.106 -2.241 1.00 42.42 O ATOM 151 CB ASN A 10 7.577 12.189 -1.785 1.00 5.34 C ATOM 152 CG ASN A 10 8.543 12.684 -0.701 1.00 14.03 C ATOM 153 OD1 ASN A 10 9.692 13.023 -0.975 1.00 24.44 O ATOM 154 ND2 ASN A 10 8.089 12.715 0.543 1.00 63.14 N ATOM 0 H ASN A 10 6.269 11.014 -3.523 1.00 74.03 H new ATOM 0 HA ASN A 10 9.000 12.003 -3.426 1.00 13.50 H new ATOM 0 HB2 ASN A 10 7.064 13.048 -2.216 1.00 5.34 H new ATOM 0 HB3 ASN A 10 6.816 11.564 -1.318 1.00 5.34 H new ATOM 0 HD21 ASN A 10 8.698 13.026 1.300 1.00 63.14 H new ATOM 0 HD22 ASN A 10 7.131 12.428 0.744 1.00 63.14 H new ATOM 161 N THR A 11 8.185 9.096 -2.063 1.00 43.45 N ATOM 162 CA THR A 11 8.647 7.855 -1.398 1.00 22.12 C ATOM 163 C THR A 11 7.910 6.632 -1.984 1.00 2.40 C ATOM 164 O THR A 11 6.755 6.738 -2.391 1.00 2.12 O ATOM 165 CB THR A 11 8.391 7.953 0.156 1.00 61.42 C ATOM 166 OG1 THR A 11 9.304 8.900 0.734 1.00 43.11 O ATOM 167 CG2 THR A 11 8.510 6.604 0.900 1.00 4.54 C ATOM 0 H THR A 11 7.186 9.090 -2.270 1.00 43.45 H new ATOM 0 HA THR A 11 9.716 7.735 -1.574 1.00 22.12 H new ATOM 0 HB THR A 11 7.358 8.279 0.275 1.00 61.42 H new ATOM 0 HG1 THR A 11 9.144 8.962 1.699 1.00 43.11 H new ATOM 0 HG21 THR A 11 8.320 6.756 1.962 1.00 4.54 H new ATOM 0 HG22 THR A 11 7.780 5.901 0.498 1.00 4.54 H new ATOM 0 HG23 THR A 11 9.514 6.201 0.765 1.00 4.54 H new ATOM 175 N SER A 12 8.593 5.475 -2.030 1.00 75.14 N ATOM 176 CA SER A 12 7.965 4.197 -2.426 1.00 43.44 C ATOM 177 C SER A 12 8.713 2.993 -1.836 1.00 42.20 C ATOM 178 O SER A 12 9.905 3.073 -1.523 1.00 15.12 O ATOM 179 CB SER A 12 7.893 4.052 -3.960 1.00 3.34 C ATOM 180 OG SER A 12 9.163 3.847 -4.558 1.00 1.33 O ATOM 0 H SER A 12 9.583 5.396 -1.798 1.00 75.14 H new ATOM 0 HA SER A 12 6.951 4.213 -2.025 1.00 43.44 H new ATOM 0 HB2 SER A 12 7.241 3.215 -4.210 1.00 3.34 H new ATOM 0 HB3 SER A 12 7.439 4.948 -4.383 1.00 3.34 H new ATOM 0 HG SER A 12 9.460 2.929 -4.388 1.00 1.33 H new ATOM 186 N HIS A 13 7.991 1.874 -1.735 1.00 45.40 N ATOM 187 CA HIS A 13 8.538 0.576 -1.287 1.00 34.51 C ATOM 188 C HIS A 13 9.200 -0.177 -2.469 1.00 42.33 C ATOM 189 O HIS A 13 9.988 -1.104 -2.264 1.00 31.51 O ATOM 190 CB HIS A 13 7.402 -0.251 -0.625 1.00 54.25 C ATOM 191 CG HIS A 13 6.801 0.463 0.567 1.00 33.23 C ATOM 192 ND1 HIS A 13 5.903 1.484 0.610 1.00 11.11 N flip ATOM 193 CD2 HIS A 13 7.206 0.177 1.844 1.00 60.15 C flip ATOM 194 CE1 HIS A 13 5.757 1.832 1.924 1.00 74.04 C flip ATOM 195 NE2 HIS A 13 6.562 1.020 2.624 1.00 74.51 N flip ATOM 0 H HIS A 13 6.998 1.836 -1.963 1.00 45.40 H new ATOM 0 HA HIS A 13 9.320 0.738 -0.545 1.00 34.51 H new ATOM 0 HB2 HIS A 13 6.622 -0.449 -1.360 1.00 54.25 H new ATOM 0 HB3 HIS A 13 7.794 -1.217 -0.309 1.00 54.25 H new ATOM 0 HD2 HIS A 13 7.909 -0.584 2.149 1.00 60.15 H new ATOM 0 HE1 HIS A 13 5.119 2.608 2.320 1.00 74.04 H new ATOM 0 HE2 HIS A 13 6.663 1.051 3.638 1.00 74.51 H new ATOM 203 N MET A 14 8.861 0.242 -3.708 1.00 43.31 N ATOM 204 CA MET A 14 9.549 -0.201 -4.945 1.00 35.32 C ATOM 205 C MET A 14 10.779 0.706 -5.227 1.00 61.33 C ATOM 206 O MET A 14 10.947 1.754 -4.596 1.00 64.41 O ATOM 207 CB MET A 14 8.568 -0.166 -6.157 1.00 41.23 C ATOM 208 CG MET A 14 7.323 -1.057 -6.012 1.00 3.33 C ATOM 209 SD MET A 14 6.258 -0.567 -4.634 1.00 11.10 S ATOM 210 CE MET A 14 4.904 -1.736 -4.779 1.00 5.33 C ATOM 0 H MET A 14 8.100 0.899 -3.881 1.00 43.31 H new ATOM 0 HA MET A 14 9.891 -1.226 -4.804 1.00 35.32 H new ATOM 0 HB2 MET A 14 8.244 0.863 -6.313 1.00 41.23 H new ATOM 0 HB3 MET A 14 9.110 -0.468 -7.053 1.00 41.23 H new ATOM 0 HG2 MET A 14 6.749 -1.022 -6.938 1.00 3.33 H new ATOM 0 HG3 MET A 14 7.638 -2.091 -5.871 1.00 3.33 H new ATOM 0 HE1 MET A 14 4.061 -1.393 -4.179 1.00 5.33 H new ATOM 0 HE2 MET A 14 4.599 -1.812 -5.823 1.00 5.33 H new ATOM 0 HE3 MET A 14 5.228 -2.714 -4.424 1.00 5.33 H new ATOM 220 N LYS A 15 11.640 0.288 -6.168 1.00 33.15 N ATOM 221 CA LYS A 15 12.817 1.087 -6.593 1.00 34.12 C ATOM 222 C LYS A 15 12.433 2.063 -7.734 1.00 11.30 C ATOM 223 O LYS A 15 12.701 3.270 -7.661 1.00 15.20 O ATOM 224 CB LYS A 15 13.965 0.139 -7.044 1.00 62.04 C ATOM 225 CG LYS A 15 15.274 0.856 -7.455 1.00 42.13 C ATOM 226 CD LYS A 15 16.410 -0.126 -7.822 1.00 23.33 C ATOM 227 CE LYS A 15 17.725 0.594 -8.185 1.00 14.12 C ATOM 228 NZ LYS A 15 18.250 1.410 -7.058 1.00 24.44 N ATOM 0 H LYS A 15 11.548 -0.603 -6.656 1.00 33.15 H new ATOM 0 HA LYS A 15 13.163 1.680 -5.746 1.00 34.12 H new ATOM 0 HB2 LYS A 15 14.186 -0.553 -6.232 1.00 62.04 H new ATOM 0 HB3 LYS A 15 13.615 -0.458 -7.886 1.00 62.04 H new ATOM 0 HG2 LYS A 15 15.074 1.506 -8.307 1.00 42.13 H new ATOM 0 HG3 LYS A 15 15.604 1.496 -6.636 1.00 42.13 H new ATOM 0 HD2 LYS A 15 16.588 -0.799 -6.983 1.00 23.33 H new ATOM 0 HD3 LYS A 15 16.094 -0.743 -8.663 1.00 23.33 H new ATOM 0 HE2 LYS A 15 18.473 -0.144 -8.476 1.00 14.12 H new ATOM 0 HE3 LYS A 15 17.558 1.237 -9.050 1.00 14.12 H new ATOM 0 HZ1 LYS A 15 19.205 1.751 -7.291 1.00 24.44 H new ATOM 0 HZ2 LYS A 15 17.622 2.223 -6.896 1.00 24.44 H new ATOM 0 HZ3 LYS A 15 18.291 0.828 -6.197 1.00 24.44 H new ATOM 242 N GLY A 16 11.770 1.512 -8.770 1.00 24.24 N ATOM 243 CA GLY A 16 11.391 2.273 -9.974 1.00 3.35 C ATOM 244 C GLY A 16 10.234 3.262 -9.781 1.00 74.22 C ATOM 245 O GLY A 16 10.009 4.127 -10.637 1.00 1.33 O ATOM 0 H GLY A 16 11.484 0.533 -8.795 1.00 24.24 H new ATOM 0 HA2 GLY A 16 12.263 2.823 -10.327 1.00 3.35 H new ATOM 0 HA3 GLY A 16 11.119 1.568 -10.760 1.00 3.35 H new ATOM 249 N MET A 17 9.512 3.149 -8.651 1.00 32.03 N ATOM 250 CA MET A 17 8.324 3.988 -8.372 1.00 32.34 C ATOM 251 C MET A 17 8.719 5.302 -7.650 1.00 63.44 C ATOM 252 O MET A 17 8.051 6.326 -7.804 1.00 72.14 O ATOM 253 CB MET A 17 7.263 3.184 -7.559 1.00 44.22 C ATOM 254 CG MET A 17 5.936 3.938 -7.329 1.00 30.12 C ATOM 255 SD MET A 17 4.560 2.879 -6.822 1.00 22.22 S ATOM 256 CE MET A 17 4.938 2.506 -5.119 1.00 53.11 C ATOM 0 H MET A 17 9.730 2.482 -7.911 1.00 32.03 H new ATOM 0 HA MET A 17 7.874 4.268 -9.325 1.00 32.34 H new ATOM 0 HB2 MET A 17 7.052 2.251 -8.082 1.00 44.22 H new ATOM 0 HB3 MET A 17 7.689 2.918 -6.592 1.00 44.22 H new ATOM 0 HG2 MET A 17 6.092 4.701 -6.567 1.00 30.12 H new ATOM 0 HG3 MET A 17 5.662 4.456 -8.248 1.00 30.12 H new ATOM 0 HE1 MET A 17 4.232 1.766 -4.743 1.00 53.11 H new ATOM 0 HE2 MET A 17 5.951 2.109 -5.050 1.00 53.11 H new ATOM 0 HE3 MET A 17 4.863 3.415 -4.522 1.00 53.11 H new ATOM 266 N LYS A 18 9.814 5.270 -6.865 1.00 30.22 N ATOM 267 CA LYS A 18 10.309 6.464 -6.132 1.00 53.40 C ATOM 268 C LYS A 18 10.878 7.528 -7.106 1.00 5.32 C ATOM 269 O LYS A 18 11.793 7.244 -7.887 1.00 60.11 O ATOM 270 CB LYS A 18 11.368 6.063 -5.071 1.00 10.43 C ATOM 271 CG LYS A 18 11.794 7.220 -4.140 1.00 25.02 C ATOM 272 CD LYS A 18 12.755 6.766 -3.021 1.00 12.21 C ATOM 273 CE LYS A 18 13.117 7.909 -2.058 1.00 22.31 C ATOM 274 NZ LYS A 18 13.958 7.430 -0.935 1.00 12.21 N ATOM 0 H LYS A 18 10.377 4.432 -6.719 1.00 30.22 H new ATOM 0 HA LYS A 18 9.460 6.909 -5.613 1.00 53.40 H new ATOM 0 HB2 LYS A 18 10.970 5.250 -4.464 1.00 10.43 H new ATOM 0 HB3 LYS A 18 12.251 5.677 -5.581 1.00 10.43 H new ATOM 0 HG2 LYS A 18 12.276 7.998 -4.732 1.00 25.02 H new ATOM 0 HG3 LYS A 18 10.906 7.665 -3.691 1.00 25.02 H new ATOM 0 HD2 LYS A 18 12.295 5.953 -2.459 1.00 12.21 H new ATOM 0 HD3 LYS A 18 13.666 6.369 -3.468 1.00 12.21 H new ATOM 0 HE2 LYS A 18 13.647 8.690 -2.603 1.00 22.31 H new ATOM 0 HE3 LYS A 18 12.205 8.357 -1.665 1.00 22.31 H new ATOM 0 HZ1 LYS A 18 14.183 8.227 -0.306 1.00 12.21 H new ATOM 0 HZ2 LYS A 18 13.442 6.702 -0.401 1.00 12.21 H new ATOM 0 HZ3 LYS A 18 14.840 7.025 -1.310 1.00 12.21 H new ATOM 288 N GLY A 19 10.304 8.743 -7.052 1.00 15.14 N ATOM 289 CA GLY A 19 10.687 9.847 -7.945 1.00 14.13 C ATOM 290 C GLY A 19 9.975 9.811 -9.301 1.00 2.20 C ATOM 291 O GLY A 19 10.226 10.670 -10.155 1.00 63.11 O ATOM 0 H GLY A 19 9.566 8.985 -6.391 1.00 15.14 H new ATOM 0 HA2 GLY A 19 10.467 10.795 -7.453 1.00 14.13 H new ATOM 0 HA3 GLY A 19 11.764 9.815 -8.108 1.00 14.13 H new ATOM 295 N ALA A 20 9.083 8.820 -9.495 1.00 42.32 N ATOM 296 CA ALA A 20 8.380 8.608 -10.775 1.00 0.03 C ATOM 297 C ALA A 20 7.297 9.676 -11.042 1.00 50.04 C ATOM 298 O ALA A 20 6.658 10.184 -10.108 1.00 34.55 O ATOM 299 CB ALA A 20 7.759 7.203 -10.823 1.00 50.12 C ATOM 0 H ALA A 20 8.830 8.147 -8.772 1.00 42.32 H new ATOM 0 HA ALA A 20 9.127 8.702 -11.563 1.00 0.03 H new ATOM 0 HB1 ALA A 20 7.245 7.065 -11.774 1.00 50.12 H new ATOM 0 HB2 ALA A 20 8.545 6.454 -10.723 1.00 50.12 H new ATOM 0 HB3 ALA A 20 7.046 7.092 -10.006 1.00 50.12 H new ATOM 305 N GLU A 21 7.109 10.007 -12.330 1.00 23.14 N ATOM 306 CA GLU A 21 6.088 10.974 -12.779 1.00 71.23 C ATOM 307 C GLU A 21 4.687 10.317 -12.761 1.00 55.13 C ATOM 308 O GLU A 21 4.335 9.552 -13.669 1.00 51.22 O ATOM 309 CB GLU A 21 6.447 11.488 -14.202 1.00 1.12 C ATOM 310 CG GLU A 21 7.841 12.146 -14.294 1.00 74.43 C ATOM 311 CD GLU A 21 8.194 12.639 -15.709 1.00 2.43 C ATOM 312 OE1 GLU A 21 8.699 11.840 -16.520 1.00 5.23 O ATOM 313 OE2 GLU A 21 7.959 13.825 -16.022 1.00 3.53 O ATOM 0 H GLU A 21 7.660 9.612 -13.092 1.00 23.14 H new ATOM 0 HA GLU A 21 6.068 11.825 -12.098 1.00 71.23 H new ATOM 0 HB2 GLU A 21 6.403 10.653 -14.901 1.00 1.12 H new ATOM 0 HB3 GLU A 21 5.694 12.209 -14.518 1.00 1.12 H new ATOM 0 HG2 GLU A 21 7.883 12.988 -13.603 1.00 74.43 H new ATOM 0 HG3 GLU A 21 8.595 11.429 -13.969 1.00 74.43 H new ATOM 320 N ALA A 22 3.925 10.586 -11.688 1.00 23.35 N ATOM 321 CA ALA A 22 2.569 10.040 -11.487 1.00 63.44 C ATOM 322 C ALA A 22 1.471 11.078 -11.784 1.00 63.43 C ATOM 323 O ALA A 22 1.738 12.263 -12.002 1.00 31.32 O ATOM 324 CB ALA A 22 2.428 9.520 -10.046 1.00 25.33 C ATOM 0 H ALA A 22 4.234 11.193 -10.929 1.00 23.35 H new ATOM 0 HA ALA A 22 2.436 9.220 -12.193 1.00 63.44 H new ATOM 0 HB1 ALA A 22 1.425 9.118 -9.901 1.00 25.33 H new ATOM 0 HB2 ALA A 22 3.163 8.735 -9.869 1.00 25.33 H new ATOM 0 HB3 ALA A 22 2.595 10.338 -9.346 1.00 25.33 H new ATOM 330 N THR A 23 0.225 10.600 -11.837 1.00 61.10 N ATOM 331 CA THR A 23 -0.976 11.456 -11.857 1.00 50.14 C ATOM 332 C THR A 23 -2.077 10.806 -10.992 1.00 10.25 C ATOM 333 O THR A 23 -2.318 9.600 -11.104 1.00 71.51 O ATOM 334 CB THR A 23 -1.500 11.682 -13.321 1.00 51.22 C ATOM 335 OG1 THR A 23 -0.426 12.139 -14.168 1.00 12.21 O ATOM 336 CG2 THR A 23 -2.636 12.716 -13.376 1.00 63.32 C ATOM 0 H THR A 23 0.014 9.603 -11.868 1.00 61.10 H new ATOM 0 HA THR A 23 -0.711 12.432 -11.450 1.00 50.14 H new ATOM 0 HB THR A 23 -1.884 10.724 -13.671 1.00 51.22 H new ATOM 0 HG1 THR A 23 -0.763 12.275 -15.078 1.00 12.21 H new ATOM 0 HG21 THR A 23 -2.966 12.839 -14.407 1.00 63.32 H new ATOM 0 HG22 THR A 23 -3.471 12.372 -12.766 1.00 63.32 H new ATOM 0 HG23 THR A 23 -2.277 13.671 -12.993 1.00 63.32 H new ATOM 344 N VAL A 24 -2.744 11.609 -10.139 1.00 53.01 N ATOM 345 CA VAL A 24 -3.771 11.107 -9.198 1.00 1.34 C ATOM 346 C VAL A 24 -5.055 10.720 -9.970 1.00 41.44 C ATOM 347 O VAL A 24 -5.688 11.567 -10.584 1.00 52.42 O ATOM 348 CB VAL A 24 -4.114 12.173 -8.085 1.00 74.40 C ATOM 349 CG1 VAL A 24 -5.153 11.629 -7.063 1.00 63.52 C ATOM 350 CG2 VAL A 24 -2.828 12.662 -7.368 1.00 10.53 C ATOM 0 H VAL A 24 -2.590 12.616 -10.081 1.00 53.01 H new ATOM 0 HA VAL A 24 -3.363 10.226 -8.703 1.00 1.34 H new ATOM 0 HB VAL A 24 -4.570 13.028 -8.584 1.00 74.40 H new ATOM 0 HG11 VAL A 24 -5.361 12.393 -6.314 1.00 63.52 H new ATOM 0 HG12 VAL A 24 -6.075 11.371 -7.584 1.00 63.52 H new ATOM 0 HG13 VAL A 24 -4.752 10.741 -6.574 1.00 63.52 H new ATOM 0 HG21 VAL A 24 -3.093 13.395 -6.606 1.00 10.53 H new ATOM 0 HG22 VAL A 24 -2.329 11.815 -6.898 1.00 10.53 H new ATOM 0 HG23 VAL A 24 -2.158 13.120 -8.095 1.00 10.53 H new ATOM 360 N THR A 25 -5.394 9.430 -9.984 1.00 73.41 N ATOM 361 CA THR A 25 -6.648 8.927 -10.607 1.00 43.42 C ATOM 362 C THR A 25 -7.701 8.508 -9.556 1.00 20.25 C ATOM 363 O THR A 25 -8.827 8.146 -9.918 1.00 51.04 O ATOM 364 CB THR A 25 -6.361 7.733 -11.575 1.00 61.53 C ATOM 365 OG1 THR A 25 -5.674 6.682 -10.867 1.00 51.54 O ATOM 366 CG2 THR A 25 -5.527 8.181 -12.789 1.00 2.23 C ATOM 0 H THR A 25 -4.819 8.697 -9.569 1.00 73.41 H new ATOM 0 HA THR A 25 -7.060 9.758 -11.179 1.00 43.42 H new ATOM 0 HB THR A 25 -7.317 7.360 -11.943 1.00 61.53 H new ATOM 0 HG1 THR A 25 -5.011 6.269 -11.458 1.00 51.54 H new ATOM 0 HG21 THR A 25 -5.346 7.327 -13.441 1.00 2.23 H new ATOM 0 HG22 THR A 25 -6.070 8.949 -13.340 1.00 2.23 H new ATOM 0 HG23 THR A 25 -4.574 8.585 -12.447 1.00 2.23 H new ATOM 374 N GLY A 26 -7.341 8.562 -8.253 1.00 44.43 N ATOM 375 CA GLY A 26 -8.294 8.289 -7.166 1.00 12.43 C ATOM 376 C GLY A 26 -7.794 8.775 -5.802 1.00 11.52 C ATOM 377 O GLY A 26 -6.585 8.807 -5.561 1.00 53.14 O ATOM 0 H GLY A 26 -6.399 8.792 -7.935 1.00 44.43 H new ATOM 0 HA2 GLY A 26 -9.245 8.772 -7.393 1.00 12.43 H new ATOM 0 HA3 GLY A 26 -8.485 7.217 -7.117 1.00 12.43 H new ATOM 381 N ALA A 27 -8.733 9.143 -4.911 1.00 71.01 N ATOM 382 CA ALA A 27 -8.437 9.604 -3.533 1.00 51.10 C ATOM 383 C ALA A 27 -9.304 8.828 -2.507 1.00 45.33 C ATOM 384 O ALA A 27 -10.525 8.970 -2.495 1.00 53.13 O ATOM 385 CB ALA A 27 -8.682 11.124 -3.416 1.00 42.42 C ATOM 0 H ALA A 27 -9.730 9.130 -5.125 1.00 71.01 H new ATOM 0 HA ALA A 27 -7.388 9.406 -3.313 1.00 51.10 H new ATOM 0 HB1 ALA A 27 -8.461 11.451 -2.400 1.00 42.42 H new ATOM 0 HB2 ALA A 27 -8.034 11.652 -4.116 1.00 42.42 H new ATOM 0 HB3 ALA A 27 -9.724 11.344 -3.650 1.00 42.42 H new ATOM 391 N TYR A 28 -8.660 7.999 -1.665 1.00 52.50 N ATOM 392 CA TYR A 28 -9.347 7.128 -0.676 1.00 33.43 C ATOM 393 C TYR A 28 -9.005 7.568 0.761 1.00 43.32 C ATOM 394 O TYR A 28 -7.850 7.485 1.174 1.00 44.01 O ATOM 395 CB TYR A 28 -8.912 5.649 -0.868 1.00 64.04 C ATOM 396 CG TYR A 28 -9.216 5.044 -2.246 1.00 2.52 C ATOM 397 CD1 TYR A 28 -8.512 5.442 -3.393 1.00 5.40 C ATOM 398 CD2 TYR A 28 -10.185 4.050 -2.399 1.00 22.21 C ATOM 399 CE1 TYR A 28 -8.770 4.873 -4.625 1.00 3.33 C ATOM 400 CE2 TYR A 28 -10.443 3.482 -3.628 1.00 72.45 C ATOM 401 CZ TYR A 28 -9.734 3.894 -4.737 1.00 35.31 C ATOM 402 OH TYR A 28 -9.990 3.325 -5.966 1.00 61.13 O ATOM 0 H TYR A 28 -7.644 7.909 -1.646 1.00 52.50 H new ATOM 0 HA TYR A 28 -10.422 7.218 -0.836 1.00 33.43 H new ATOM 0 HB2 TYR A 28 -7.839 5.578 -0.688 1.00 64.04 H new ATOM 0 HB3 TYR A 28 -9.404 5.042 -0.108 1.00 64.04 H new ATOM 0 HD1 TYR A 28 -7.754 6.207 -3.311 1.00 5.40 H new ATOM 0 HD2 TYR A 28 -10.744 3.719 -1.536 1.00 22.21 H new ATOM 0 HE1 TYR A 28 -8.219 5.194 -5.497 1.00 3.33 H new ATOM 0 HE2 TYR A 28 -11.199 2.716 -3.722 1.00 72.45 H new ATOM 0 HH TYR A 28 -10.955 3.339 -6.138 1.00 61.13 H new ATOM 412 N ASP A 29 -10.001 8.028 1.527 1.00 40.14 N ATOM 413 CA ASP A 29 -9.810 8.404 2.945 1.00 65.34 C ATOM 414 C ASP A 29 -10.300 7.241 3.848 1.00 61.11 C ATOM 415 O ASP A 29 -11.482 7.150 4.200 1.00 11.14 O ATOM 416 CB ASP A 29 -10.531 9.741 3.243 1.00 45.42 C ATOM 417 CG ASP A 29 -10.274 10.269 4.665 1.00 20.23 C ATOM 418 OD1 ASP A 29 -9.110 10.586 4.990 1.00 63.44 O ATOM 419 OD2 ASP A 29 -11.235 10.394 5.457 1.00 2.12 O ATOM 0 H ASP A 29 -10.956 8.152 1.192 1.00 40.14 H new ATOM 0 HA ASP A 29 -8.754 8.566 3.159 1.00 65.34 H new ATOM 0 HB2 ASP A 29 -10.206 10.490 2.521 1.00 45.42 H new ATOM 0 HB3 ASP A 29 -11.603 9.607 3.101 1.00 45.42 H new ATOM 424 N THR A 30 -9.373 6.307 4.122 1.00 3.24 N ATOM 425 CA THR A 30 -9.627 5.068 4.903 1.00 51.55 C ATOM 426 C THR A 30 -8.486 4.802 5.914 1.00 33.35 C ATOM 427 O THR A 30 -7.428 5.437 5.848 1.00 35.55 O ATOM 428 CB THR A 30 -9.789 3.835 3.941 1.00 10.31 C ATOM 429 OG1 THR A 30 -9.977 2.610 4.681 1.00 64.22 O ATOM 430 CG2 THR A 30 -8.584 3.690 2.989 1.00 21.14 C ATOM 0 H THR A 30 -8.407 6.386 3.805 1.00 3.24 H new ATOM 0 HA THR A 30 -10.553 5.209 5.460 1.00 51.55 H new ATOM 0 HB THR A 30 -10.680 4.022 3.342 1.00 10.31 H new ATOM 0 HG1 THR A 30 -10.076 1.862 4.056 1.00 64.22 H new ATOM 0 HG21 THR A 30 -8.734 2.827 2.341 1.00 21.14 H new ATOM 0 HG22 THR A 30 -8.491 4.589 2.380 1.00 21.14 H new ATOM 0 HG23 THR A 30 -7.674 3.551 3.573 1.00 21.14 H new ATOM 438 N THR A 31 -8.701 3.857 6.850 1.00 14.32 N ATOM 439 CA THR A 31 -7.657 3.430 7.807 1.00 40.51 C ATOM 440 C THR A 31 -6.629 2.528 7.094 1.00 2.41 C ATOM 441 O THR A 31 -7.004 1.565 6.429 1.00 52.45 O ATOM 442 CB THR A 31 -8.248 2.652 9.035 1.00 55.32 C ATOM 443 OG1 THR A 31 -9.288 3.418 9.663 1.00 63.02 O ATOM 444 CG2 THR A 31 -7.165 2.331 10.092 1.00 41.24 C ATOM 0 H THR A 31 -9.591 3.372 6.965 1.00 14.32 H new ATOM 0 HA THR A 31 -7.181 4.336 8.181 1.00 40.51 H new ATOM 0 HB THR A 31 -8.650 1.715 8.650 1.00 55.32 H new ATOM 0 HG1 THR A 31 -9.647 2.918 10.426 1.00 63.02 H new ATOM 0 HG21 THR A 31 -7.617 1.792 10.925 1.00 41.24 H new ATOM 0 HG22 THR A 31 -6.387 1.715 9.641 1.00 41.24 H new ATOM 0 HG23 THR A 31 -6.726 3.260 10.457 1.00 41.24 H new ATOM 452 N ALA A 32 -5.344 2.846 7.261 1.00 33.45 N ATOM 453 CA ALA A 32 -4.229 2.075 6.686 1.00 64.23 C ATOM 454 C ALA A 32 -3.499 1.297 7.811 1.00 51.31 C ATOM 455 O ALA A 32 -3.550 1.689 8.984 1.00 60.31 O ATOM 456 CB ALA A 32 -3.283 3.022 5.932 1.00 50.42 C ATOM 0 H ALA A 32 -5.040 3.654 7.804 1.00 33.45 H new ATOM 0 HA ALA A 32 -4.606 1.344 5.970 1.00 64.23 H new ATOM 0 HB1 ALA A 32 -2.458 2.450 5.507 1.00 50.42 H new ATOM 0 HB2 ALA A 32 -3.829 3.521 5.131 1.00 50.42 H new ATOM 0 HB3 ALA A 32 -2.889 3.768 6.622 1.00 50.42 H new ATOM 462 N TYR A 33 -2.833 0.189 7.454 1.00 34.10 N ATOM 463 CA TYR A 33 -2.207 -0.739 8.427 1.00 22.04 C ATOM 464 C TYR A 33 -0.785 -1.153 8.002 1.00 55.51 C ATOM 465 O TYR A 33 -0.461 -1.258 6.810 1.00 13.41 O ATOM 466 CB TYR A 33 -3.086 -2.010 8.632 1.00 72.32 C ATOM 467 CG TYR A 33 -4.421 -1.736 9.338 1.00 12.25 C ATOM 468 CD1 TYR A 33 -4.447 -1.352 10.679 1.00 15.11 C ATOM 469 CD2 TYR A 33 -5.645 -1.855 8.679 1.00 63.43 C ATOM 470 CE1 TYR A 33 -5.635 -1.087 11.326 1.00 32.51 C ATOM 471 CE2 TYR A 33 -6.835 -1.595 9.332 1.00 33.53 C ATOM 472 CZ TYR A 33 -6.825 -1.215 10.652 1.00 10.22 C ATOM 473 OH TYR A 33 -8.016 -0.952 11.305 1.00 12.03 O ATOM 0 H TYR A 33 -2.709 -0.096 6.482 1.00 34.10 H new ATOM 0 HA TYR A 33 -2.133 -0.199 9.371 1.00 22.04 H new ATOM 0 HB2 TYR A 33 -3.286 -2.462 7.660 1.00 72.32 H new ATOM 0 HB3 TYR A 33 -2.522 -2.740 9.213 1.00 72.32 H new ATOM 0 HD1 TYR A 33 -3.517 -1.261 11.221 1.00 15.11 H new ATOM 0 HD2 TYR A 33 -5.663 -2.155 7.642 1.00 63.43 H new ATOM 0 HE1 TYR A 33 -5.630 -0.779 12.361 1.00 32.51 H new ATOM 0 HE2 TYR A 33 -7.773 -1.691 8.805 1.00 33.53 H new ATOM 0 HH TYR A 33 -8.765 -1.088 10.687 1.00 12.03 H new ATOM 483 N VAL A 34 0.044 -1.363 9.027 1.00 34.12 N ATOM 484 CA VAL A 34 1.403 -1.900 8.922 1.00 24.31 C ATOM 485 C VAL A 34 1.359 -3.385 9.354 1.00 51.43 C ATOM 486 O VAL A 34 1.079 -3.666 10.518 1.00 3.12 O ATOM 487 CB VAL A 34 2.372 -1.079 9.858 1.00 61.24 C ATOM 488 CG1 VAL A 34 3.831 -1.557 9.721 1.00 71.33 C ATOM 489 CG2 VAL A 34 2.245 0.446 9.595 1.00 53.43 C ATOM 0 H VAL A 34 -0.223 -1.156 9.989 1.00 34.12 H new ATOM 0 HA VAL A 34 1.773 -1.821 7.900 1.00 24.31 H new ATOM 0 HB VAL A 34 2.069 -1.263 10.889 1.00 61.24 H new ATOM 0 HG11 VAL A 34 4.470 -0.969 10.380 1.00 71.33 H new ATOM 0 HG12 VAL A 34 3.896 -2.610 9.996 1.00 71.33 H new ATOM 0 HG13 VAL A 34 4.160 -1.431 8.690 1.00 71.33 H new ATOM 0 HG21 VAL A 34 2.924 0.987 10.254 1.00 53.43 H new ATOM 0 HG22 VAL A 34 2.501 0.659 8.557 1.00 53.43 H new ATOM 0 HG23 VAL A 34 1.221 0.765 9.789 1.00 53.43 H new ATOM 499 N VAL A 35 1.569 -4.330 8.410 1.00 73.42 N ATOM 500 CA VAL A 35 1.458 -5.793 8.690 1.00 62.31 C ATOM 501 C VAL A 35 2.809 -6.527 8.512 1.00 72.21 C ATOM 502 O VAL A 35 3.626 -6.165 7.673 1.00 33.34 O ATOM 503 CB VAL A 35 0.359 -6.491 7.789 1.00 24.41 C ATOM 504 CG1 VAL A 35 -1.058 -5.953 8.118 1.00 41.30 C ATOM 505 CG2 VAL A 35 0.682 -6.354 6.270 1.00 75.51 C ATOM 0 H VAL A 35 1.817 -4.113 7.445 1.00 73.42 H new ATOM 0 HA VAL A 35 1.155 -5.870 9.734 1.00 62.31 H new ATOM 0 HB VAL A 35 0.374 -7.555 8.024 1.00 24.41 H new ATOM 0 HG11 VAL A 35 -1.792 -6.450 7.484 1.00 41.30 H new ATOM 0 HG12 VAL A 35 -1.289 -6.152 9.165 1.00 41.30 H new ATOM 0 HG13 VAL A 35 -1.090 -4.879 7.937 1.00 41.30 H new ATOM 0 HG21 VAL A 35 -0.096 -6.846 5.687 1.00 75.51 H new ATOM 0 HG22 VAL A 35 0.725 -5.299 6.001 1.00 75.51 H new ATOM 0 HG23 VAL A 35 1.644 -6.821 6.059 1.00 75.51 H new ATOM 515 N SER A 36 3.018 -7.574 9.324 1.00 61.45 N ATOM 516 CA SER A 36 4.196 -8.472 9.245 1.00 35.12 C ATOM 517 C SER A 36 3.738 -9.926 9.025 1.00 71.52 C ATOM 518 O SER A 36 2.966 -10.461 9.819 1.00 22.20 O ATOM 519 CB SER A 36 5.038 -8.359 10.535 1.00 62.14 C ATOM 520 OG SER A 36 4.232 -8.493 11.695 1.00 64.43 O ATOM 0 H SER A 36 2.368 -7.830 10.067 1.00 61.45 H new ATOM 0 HA SER A 36 4.815 -8.171 8.400 1.00 35.12 H new ATOM 0 HB2 SER A 36 5.810 -9.129 10.536 1.00 62.14 H new ATOM 0 HB3 SER A 36 5.548 -7.396 10.554 1.00 62.14 H new ATOM 0 HG SER A 36 3.575 -9.206 11.556 1.00 64.43 H new ATOM 526 N TYR A 37 4.261 -10.573 7.974 1.00 2.23 N ATOM 527 CA TYR A 37 3.802 -11.906 7.527 1.00 61.33 C ATOM 528 C TYR A 37 4.965 -12.716 6.939 1.00 71.43 C ATOM 529 O TYR A 37 5.972 -12.149 6.497 1.00 2.12 O ATOM 530 CB TYR A 37 2.655 -11.781 6.476 1.00 3.43 C ATOM 531 CG TYR A 37 3.023 -11.031 5.177 1.00 14.20 C ATOM 532 CD1 TYR A 37 2.918 -9.640 5.093 1.00 43.31 C ATOM 533 CD2 TYR A 37 3.466 -11.715 4.033 1.00 50.12 C ATOM 534 CE1 TYR A 37 3.239 -8.967 3.935 1.00 14.13 C ATOM 535 CE2 TYR A 37 3.791 -11.036 2.872 1.00 42.32 C ATOM 536 CZ TYR A 37 3.672 -9.662 2.828 1.00 55.03 C ATOM 537 OH TYR A 37 3.994 -8.978 1.673 1.00 2.44 O ATOM 0 H TYR A 37 5.016 -10.190 7.405 1.00 2.23 H new ATOM 0 HA TYR A 37 3.416 -12.431 8.401 1.00 61.33 H new ATOM 0 HB2 TYR A 37 2.316 -12.783 6.213 1.00 3.43 H new ATOM 0 HB3 TYR A 37 1.812 -11.272 6.943 1.00 3.43 H new ATOM 0 HD1 TYR A 37 2.578 -9.082 5.953 1.00 43.31 H new ATOM 0 HD2 TYR A 37 3.555 -12.791 4.060 1.00 50.12 H new ATOM 0 HE1 TYR A 37 3.151 -7.891 3.895 1.00 14.13 H new ATOM 0 HE2 TYR A 37 4.136 -11.579 2.004 1.00 42.32 H new ATOM 0 HH TYR A 37 4.501 -9.566 1.075 1.00 2.44 H new ATOM 547 N THR A 38 4.802 -14.040 6.916 1.00 41.33 N ATOM 548 CA THR A 38 5.755 -14.964 6.278 1.00 11.01 C ATOM 549 C THR A 38 5.100 -15.558 5.006 1.00 71.11 C ATOM 550 O THR A 38 4.120 -16.302 5.131 1.00 41.45 O ATOM 551 CB THR A 38 6.185 -16.116 7.248 1.00 25.12 C ATOM 552 OG1 THR A 38 6.686 -15.550 8.472 1.00 32.35 O ATOM 553 CG2 THR A 38 7.270 -17.024 6.624 1.00 72.33 C ATOM 0 H THR A 38 4.002 -14.509 7.341 1.00 41.33 H new ATOM 0 HA THR A 38 6.655 -14.408 6.016 1.00 11.01 H new ATOM 0 HB THR A 38 5.306 -16.730 7.443 1.00 25.12 H new ATOM 0 HG1 THR A 38 6.954 -16.270 9.080 1.00 32.35 H new ATOM 0 HG21 THR A 38 7.538 -17.809 7.331 1.00 72.33 H new ATOM 0 HG22 THR A 38 6.885 -17.475 5.710 1.00 72.33 H new ATOM 0 HG23 THR A 38 8.153 -16.429 6.391 1.00 72.33 H new ATOM 561 N PRO A 39 5.595 -15.203 3.770 1.00 30.12 N ATOM 562 CA PRO A 39 5.072 -15.744 2.482 1.00 13.51 C ATOM 563 C PRO A 39 4.882 -17.290 2.466 1.00 74.51 C ATOM 564 O PRO A 39 5.850 -18.048 2.615 1.00 73.21 O ATOM 565 CB PRO A 39 6.144 -15.294 1.458 1.00 70.41 C ATOM 566 CG PRO A 39 6.678 -14.017 2.032 1.00 71.35 C ATOM 567 CD PRO A 39 6.685 -14.221 3.534 1.00 63.34 C ATOM 0 HA PRO A 39 4.068 -15.374 2.272 1.00 13.51 H new ATOM 0 HB2 PRO A 39 6.930 -16.042 1.348 1.00 70.41 H new ATOM 0 HB3 PRO A 39 5.712 -15.138 0.470 1.00 70.41 H new ATOM 0 HG2 PRO A 39 7.681 -13.808 1.659 1.00 71.35 H new ATOM 0 HG3 PRO A 39 6.052 -13.169 1.754 1.00 71.35 H new ATOM 0 HD2 PRO A 39 7.646 -14.601 3.880 1.00 63.34 H new ATOM 0 HD3 PRO A 39 6.502 -13.287 4.064 1.00 63.34 H new ATOM 575 N THR A 40 3.615 -17.718 2.273 1.00 12.53 N ATOM 576 CA THR A 40 3.181 -19.147 2.307 1.00 75.25 C ATOM 577 C THR A 40 3.899 -20.033 1.260 1.00 44.45 C ATOM 578 O THR A 40 4.023 -21.246 1.450 1.00 74.44 O ATOM 579 CB THR A 40 1.633 -19.268 2.080 1.00 23.14 C ATOM 580 OG1 THR A 40 1.274 -18.668 0.815 1.00 5.33 O ATOM 581 CG2 THR A 40 0.835 -18.597 3.210 1.00 43.41 C ATOM 0 H THR A 40 2.846 -17.075 2.085 1.00 12.53 H new ATOM 0 HA THR A 40 3.454 -19.508 3.299 1.00 75.25 H new ATOM 0 HB THR A 40 1.383 -20.329 2.075 1.00 23.14 H new ATOM 0 HG1 THR A 40 0.307 -18.748 0.678 1.00 5.33 H new ATOM 0 HG21 THR A 40 -0.232 -18.703 3.015 1.00 43.41 H new ATOM 0 HG22 THR A 40 1.079 -19.073 4.160 1.00 43.41 H new ATOM 0 HG23 THR A 40 1.091 -17.539 3.258 1.00 43.41 H new ATOM 589 N ASN A 41 4.385 -19.410 0.168 1.00 33.44 N ATOM 590 CA ASN A 41 5.093 -20.119 -0.929 1.00 23.24 C ATOM 591 C ASN A 41 6.590 -20.416 -0.570 1.00 34.51 C ATOM 592 O ASN A 41 7.373 -20.841 -1.429 1.00 11.42 O ATOM 593 CB ASN A 41 4.970 -19.276 -2.236 1.00 70.42 C ATOM 594 CG ASN A 41 5.345 -20.040 -3.513 1.00 61.43 C ATOM 595 OD1 ASN A 41 5.146 -21.249 -3.613 1.00 73.23 O ATOM 596 ND2 ASN A 41 5.880 -19.346 -4.502 1.00 12.22 N ATOM 0 H ASN A 41 4.301 -18.405 0.017 1.00 33.44 H new ATOM 0 HA ASN A 41 4.624 -21.091 -1.081 1.00 23.24 H new ATOM 0 HB2 ASN A 41 3.945 -18.917 -2.328 1.00 70.42 H new ATOM 0 HB3 ASN A 41 5.609 -18.397 -2.150 1.00 70.42 H new ATOM 0 HD21 ASN A 41 6.137 -19.813 -5.372 1.00 12.22 H new ATOM 0 HD22 ASN A 41 6.036 -18.344 -4.396 1.00 12.22 H new ATOM 603 N GLY A 42 6.970 -20.223 0.710 1.00 73.25 N ATOM 604 CA GLY A 42 8.336 -20.502 1.175 1.00 12.31 C ATOM 605 C GLY A 42 9.288 -19.335 0.940 1.00 24.42 C ATOM 606 O GLY A 42 10.369 -19.503 0.359 1.00 2.23 O ATOM 0 H GLY A 42 6.346 -19.874 1.438 1.00 73.25 H new ATOM 0 HA2 GLY A 42 8.312 -20.737 2.239 1.00 12.31 H new ATOM 0 HA3 GLY A 42 8.717 -21.385 0.662 1.00 12.31 H new ATOM 610 N GLY A 43 8.874 -18.141 1.397 1.00 2.44 N ATOM 611 CA GLY A 43 9.670 -16.914 1.248 1.00 31.21 C ATOM 612 C GLY A 43 10.112 -16.305 2.579 1.00 42.14 C ATOM 613 O GLY A 43 9.571 -16.648 3.638 1.00 33.05 O ATOM 0 H GLY A 43 7.985 -18.001 1.876 1.00 2.44 H new ATOM 0 HA2 GLY A 43 10.553 -17.134 0.648 1.00 31.21 H new ATOM 0 HA3 GLY A 43 9.086 -16.177 0.697 1.00 31.21 H new ATOM 617 N GLN A 44 11.106 -15.395 2.511 1.00 24.31 N ATOM 618 CA GLN A 44 11.580 -14.616 3.679 1.00 44.32 C ATOM 619 C GLN A 44 10.439 -13.758 4.278 1.00 72.00 C ATOM 620 O GLN A 44 9.719 -13.079 3.539 1.00 24.22 O ATOM 621 CB GLN A 44 12.780 -13.706 3.266 1.00 63.20 C ATOM 622 CG GLN A 44 13.285 -12.728 4.359 1.00 72.54 C ATOM 623 CD GLN A 44 13.869 -13.423 5.597 1.00 12.23 C ATOM 624 OE1 GLN A 44 13.161 -13.732 6.550 1.00 13.52 O ATOM 625 NE2 GLN A 44 15.168 -13.670 5.595 1.00 12.45 N ATOM 0 H GLN A 44 11.603 -15.178 1.647 1.00 24.31 H new ATOM 0 HA GLN A 44 11.911 -15.318 4.444 1.00 44.32 H new ATOM 0 HB2 GLN A 44 13.610 -14.345 2.963 1.00 63.20 H new ATOM 0 HB3 GLN A 44 12.489 -13.126 2.391 1.00 63.20 H new ATOM 0 HG2 GLN A 44 14.046 -12.078 3.927 1.00 72.54 H new ATOM 0 HG3 GLN A 44 12.459 -12.089 4.670 1.00 72.54 H new ATOM 0 HE21 GLN A 44 15.736 -13.404 4.791 1.00 12.45 H new ATOM 0 HE22 GLN A 44 15.602 -14.127 6.397 1.00 12.45 H new ATOM 634 N ARG A 45 10.297 -13.811 5.619 1.00 53.51 N ATOM 635 CA ARG A 45 9.278 -13.041 6.370 1.00 23.41 C ATOM 636 C ARG A 45 9.388 -11.522 6.088 1.00 51.04 C ATOM 637 O ARG A 45 10.409 -10.891 6.382 1.00 54.42 O ATOM 638 CB ARG A 45 9.394 -13.365 7.900 1.00 23.34 C ATOM 639 CG ARG A 45 8.515 -12.523 8.889 1.00 3.54 C ATOM 640 CD ARG A 45 9.250 -11.284 9.464 1.00 12.40 C ATOM 641 NE ARG A 45 8.448 -10.554 10.466 1.00 74.32 N ATOM 642 CZ ARG A 45 8.604 -10.631 11.775 1.00 54.51 C ATOM 643 NH1 ARG A 45 9.450 -11.462 12.311 1.00 62.10 N ATOM 644 NH2 ARG A 45 7.901 -9.871 12.536 1.00 31.11 N ATOM 0 H ARG A 45 10.887 -14.391 6.215 1.00 53.51 H new ATOM 0 HA ARG A 45 8.288 -13.344 6.029 1.00 23.41 H new ATOM 0 HB2 ARG A 45 9.144 -14.417 8.041 1.00 23.34 H new ATOM 0 HB3 ARG A 45 10.437 -13.243 8.191 1.00 23.34 H new ATOM 0 HG2 ARG A 45 7.613 -12.194 8.372 1.00 3.54 H new ATOM 0 HG3 ARG A 45 8.195 -13.161 9.713 1.00 3.54 H new ATOM 0 HD2 ARG A 45 10.188 -11.603 9.919 1.00 12.40 H new ATOM 0 HD3 ARG A 45 9.505 -10.608 8.648 1.00 12.40 H new ATOM 0 HE ARG A 45 7.712 -9.939 10.118 1.00 74.32 H new ATOM 0 HH11 ARG A 45 10.011 -12.073 11.717 1.00 62.10 H new ATOM 0 HH12 ARG A 45 9.552 -11.503 13.325 1.00 62.10 H new ATOM 0 HH21 ARG A 45 7.232 -9.218 12.127 1.00 31.11 H new ATOM 0 HH22 ARG A 45 8.012 -9.920 13.549 1.00 31.11 H new ATOM 658 N VAL A 46 8.326 -10.965 5.491 1.00 52.12 N ATOM 659 CA VAL A 46 8.226 -9.532 5.170 1.00 2.21 C ATOM 660 C VAL A 46 7.647 -8.762 6.390 1.00 24.24 C ATOM 661 O VAL A 46 6.474 -8.934 6.743 1.00 14.50 O ATOM 662 CB VAL A 46 7.326 -9.318 3.897 1.00 1.43 C ATOM 663 CG1 VAL A 46 7.302 -7.831 3.460 1.00 74.35 C ATOM 664 CG2 VAL A 46 7.775 -10.248 2.733 1.00 60.41 C ATOM 0 H VAL A 46 7.503 -11.500 5.214 1.00 52.12 H new ATOM 0 HA VAL A 46 9.220 -9.144 4.950 1.00 2.21 H new ATOM 0 HB VAL A 46 6.305 -9.591 4.164 1.00 1.43 H new ATOM 0 HG11 VAL A 46 6.671 -7.721 2.578 1.00 74.35 H new ATOM 0 HG12 VAL A 46 6.903 -7.220 4.270 1.00 74.35 H new ATOM 0 HG13 VAL A 46 8.315 -7.505 3.224 1.00 74.35 H new ATOM 0 HG21 VAL A 46 7.136 -10.080 1.866 1.00 60.41 H new ATOM 0 HG22 VAL A 46 8.810 -10.028 2.470 1.00 60.41 H new ATOM 0 HG23 VAL A 46 7.694 -11.289 3.047 1.00 60.41 H new ATOM 674 N ASP A 47 8.486 -7.925 7.025 1.00 42.42 N ATOM 675 CA ASP A 47 8.149 -7.224 8.283 1.00 61.43 C ATOM 676 C ASP A 47 7.834 -5.735 7.999 1.00 72.01 C ATOM 677 O ASP A 47 8.525 -5.097 7.196 1.00 63.31 O ATOM 678 CB ASP A 47 9.327 -7.367 9.281 1.00 54.31 C ATOM 679 CG ASP A 47 9.034 -6.762 10.664 1.00 32.03 C ATOM 680 OD1 ASP A 47 8.064 -7.203 11.315 1.00 60.02 O ATOM 681 OD2 ASP A 47 9.772 -5.857 11.109 1.00 30.01 O ATOM 0 H ASP A 47 9.422 -7.713 6.681 1.00 42.42 H new ATOM 0 HA ASP A 47 7.260 -7.673 8.726 1.00 61.43 H new ATOM 0 HB2 ASP A 47 9.567 -8.424 9.399 1.00 54.31 H new ATOM 0 HB3 ASP A 47 10.209 -6.884 8.861 1.00 54.31 H new ATOM 686 N HIS A 48 6.788 -5.203 8.673 1.00 13.31 N ATOM 687 CA HIS A 48 6.301 -3.807 8.494 1.00 42.41 C ATOM 688 C HIS A 48 5.970 -3.458 7.011 1.00 13.35 C ATOM 689 O HIS A 48 6.240 -2.341 6.537 1.00 1.02 O ATOM 690 CB HIS A 48 7.293 -2.779 9.129 1.00 51.02 C ATOM 691 CG HIS A 48 7.243 -2.715 10.636 1.00 20.41 C ATOM 692 ND1 HIS A 48 6.979 -1.554 11.334 1.00 33.52 N ATOM 693 CD2 HIS A 48 7.433 -3.664 11.572 1.00 51.55 C ATOM 694 CE1 HIS A 48 7.015 -1.796 12.624 1.00 20.10 C ATOM 695 NE2 HIS A 48 7.287 -3.068 12.799 1.00 1.24 N ATOM 0 H HIS A 48 6.252 -5.730 9.362 1.00 13.31 H new ATOM 0 HA HIS A 48 5.355 -3.736 9.031 1.00 42.41 H new ATOM 0 HB2 HIS A 48 8.307 -3.034 8.822 1.00 51.02 H new ATOM 0 HB3 HIS A 48 7.077 -1.789 8.728 1.00 51.02 H new ATOM 0 HD2 HIS A 48 7.659 -4.704 11.390 1.00 51.55 H new ATOM 0 HE1 HIS A 48 6.849 -1.072 13.408 1.00 20.10 H new ATOM 0 HE2 HIS A 48 7.375 -3.537 13.700 1.00 1.24 H new ATOM 704 N HIS A 49 5.350 -4.425 6.310 1.00 21.43 N ATOM 705 CA HIS A 49 4.907 -4.266 4.911 1.00 12.22 C ATOM 706 C HIS A 49 3.771 -3.226 4.802 1.00 61.42 C ATOM 707 O HIS A 49 2.765 -3.297 5.526 1.00 22.33 O ATOM 708 CB HIS A 49 4.445 -5.623 4.331 1.00 62.52 C ATOM 709 CG HIS A 49 4.099 -5.585 2.851 1.00 44.32 C ATOM 710 ND1 HIS A 49 5.038 -5.873 1.892 1.00 33.12 N ATOM 711 CD2 HIS A 49 2.924 -5.290 2.233 1.00 31.10 C ATOM 712 CE1 HIS A 49 4.427 -5.746 0.730 1.00 2.14 C ATOM 713 NE2 HIS A 49 3.148 -5.395 0.884 1.00 41.14 N ATOM 0 H HIS A 49 5.141 -5.344 6.700 1.00 21.43 H new ATOM 0 HA HIS A 49 5.756 -3.906 4.330 1.00 12.22 H new ATOM 0 HB2 HIS A 49 5.233 -6.360 4.489 1.00 62.52 H new ATOM 0 HB3 HIS A 49 3.572 -5.965 4.888 1.00 62.52 H new ATOM 0 HD2 HIS A 49 1.993 -5.024 2.712 1.00 31.10 H new ATOM 0 HE1 HIS A 49 4.902 -5.906 -0.227 1.00 2.14 H new ATOM 0 HE2 HIS A 49 2.468 -5.236 0.141 1.00 41.14 H new ATOM 721 N LYS A 50 3.954 -2.267 3.879 1.00 3.21 N ATOM 722 CA LYS A 50 2.985 -1.187 3.615 1.00 12.24 C ATOM 723 C LYS A 50 2.792 -0.989 2.075 1.00 73.34 C ATOM 724 O LYS A 50 3.713 -1.256 1.306 1.00 61.04 O ATOM 725 CB LYS A 50 3.471 0.141 4.271 1.00 45.33 C ATOM 726 CG LYS A 50 3.694 0.090 5.803 1.00 72.53 C ATOM 727 CD LYS A 50 3.986 1.482 6.418 1.00 42.41 C ATOM 728 CE LYS A 50 5.205 2.190 5.797 1.00 62.34 C ATOM 729 NZ LYS A 50 5.396 3.552 6.351 1.00 43.15 N ATOM 0 H LYS A 50 4.785 -2.218 3.290 1.00 3.21 H new ATOM 0 HA LYS A 50 2.026 -1.466 4.051 1.00 12.24 H new ATOM 0 HB2 LYS A 50 4.406 0.439 3.796 1.00 45.33 H new ATOM 0 HB3 LYS A 50 2.741 0.921 4.054 1.00 45.33 H new ATOM 0 HG2 LYS A 50 2.810 -0.334 6.280 1.00 72.53 H new ATOM 0 HG3 LYS A 50 4.526 -0.580 6.022 1.00 72.53 H new ATOM 0 HD2 LYS A 50 3.107 2.115 6.295 1.00 42.41 H new ATOM 0 HD3 LYS A 50 4.150 1.369 7.490 1.00 42.41 H new ATOM 0 HE2 LYS A 50 6.101 1.596 5.978 1.00 62.34 H new ATOM 0 HE3 LYS A 50 5.077 2.253 4.716 1.00 62.34 H new ATOM 0 HZ1 LYS A 50 6.264 3.968 5.958 1.00 43.15 H new ATOM 0 HZ2 LYS A 50 4.581 4.147 6.098 1.00 43.15 H new ATOM 0 HZ3 LYS A 50 5.476 3.497 7.386 1.00 43.15 H new ATOM 743 N TRP A 51 1.606 -0.518 1.601 1.00 50.23 N ATOM 744 CA TRP A 51 0.394 -0.246 2.423 1.00 0.03 C ATOM 745 C TRP A 51 -0.760 -1.228 2.110 1.00 71.44 C ATOM 746 O TRP A 51 -1.038 -1.548 0.947 1.00 42.31 O ATOM 747 CB TRP A 51 -0.090 1.215 2.201 1.00 51.50 C ATOM 748 CG TRP A 51 0.894 2.251 2.678 1.00 32.22 C ATOM 749 CD1 TRP A 51 1.959 2.750 1.986 1.00 55.41 C ATOM 750 CD2 TRP A 51 0.920 2.887 3.963 1.00 61.41 C ATOM 751 NE1 TRP A 51 2.629 3.660 2.754 1.00 22.21 N ATOM 752 CE2 TRP A 51 2.010 3.773 3.963 1.00 53.11 C ATOM 753 CE3 TRP A 51 0.119 2.810 5.104 1.00 51.12 C ATOM 754 CZ2 TRP A 51 2.328 4.562 5.060 1.00 2.51 C ATOM 755 CZ3 TRP A 51 0.433 3.596 6.196 1.00 4.23 C ATOM 756 CH2 TRP A 51 1.524 4.467 6.161 1.00 45.43 C ATOM 0 H TRP A 51 1.463 -0.312 0.612 1.00 50.23 H new ATOM 0 HA TRP A 51 0.677 -0.388 3.466 1.00 0.03 H new ATOM 0 HB2 TRP A 51 -0.282 1.369 1.139 1.00 51.50 H new ATOM 0 HB3 TRP A 51 -1.038 1.359 2.720 1.00 51.50 H new ATOM 0 HD1 TRP A 51 2.232 2.467 0.980 1.00 55.41 H new ATOM 0 HE1 TRP A 51 3.462 4.174 2.467 1.00 22.21 H new ATOM 0 HE3 TRP A 51 -0.733 2.146 5.133 1.00 51.12 H new ATOM 0 HZ2 TRP A 51 3.179 5.226 5.044 1.00 2.51 H new ATOM 0 HZ3 TRP A 51 -0.173 3.536 7.088 1.00 4.23 H new ATOM 0 HH2 TRP A 51 1.737 5.080 7.024 1.00 45.43 H new ATOM 767 N VAL A 52 -1.415 -1.689 3.183 1.00 73.33 N ATOM 768 CA VAL A 52 -2.682 -2.444 3.138 1.00 3.43 C ATOM 769 C VAL A 52 -3.721 -1.684 3.991 1.00 1.42 C ATOM 770 O VAL A 52 -3.387 -1.163 5.053 1.00 2.23 O ATOM 771 CB VAL A 52 -2.509 -3.927 3.662 1.00 62.04 C ATOM 772 CG1 VAL A 52 -1.558 -4.742 2.745 1.00 25.50 C ATOM 773 CG2 VAL A 52 -2.024 -3.957 5.139 1.00 0.30 C ATOM 0 H VAL A 52 -1.073 -1.546 4.133 1.00 73.33 H new ATOM 0 HA VAL A 52 -3.016 -2.519 2.103 1.00 3.43 H new ATOM 0 HB VAL A 52 -3.490 -4.400 3.628 1.00 62.04 H new ATOM 0 HG11 VAL A 52 -1.460 -5.756 3.132 1.00 25.50 H new ATOM 0 HG12 VAL A 52 -1.967 -4.777 1.735 1.00 25.50 H new ATOM 0 HG13 VAL A 52 -0.578 -4.266 2.723 1.00 25.50 H new ATOM 0 HG21 VAL A 52 -1.916 -4.991 5.466 1.00 0.30 H new ATOM 0 HG22 VAL A 52 -1.062 -3.450 5.217 1.00 0.30 H new ATOM 0 HG23 VAL A 52 -2.753 -3.451 5.772 1.00 0.30 H new ATOM 783 N ILE A 53 -4.969 -1.584 3.521 1.00 12.30 N ATOM 784 CA ILE A 53 -6.020 -0.813 4.236 1.00 31.31 C ATOM 785 C ILE A 53 -7.048 -1.747 4.917 1.00 51.21 C ATOM 786 O ILE A 53 -7.017 -2.965 4.718 1.00 44.25 O ATOM 787 CB ILE A 53 -6.735 0.214 3.281 1.00 11.30 C ATOM 788 CG1 ILE A 53 -7.542 -0.506 2.154 1.00 10.33 C ATOM 789 CG2 ILE A 53 -5.700 1.205 2.681 1.00 22.41 C ATOM 790 CD1 ILE A 53 -8.328 0.421 1.240 1.00 33.31 C ATOM 0 H ILE A 53 -5.286 -2.020 2.655 1.00 12.30 H new ATOM 0 HA ILE A 53 -5.521 -0.244 5.020 1.00 31.31 H new ATOM 0 HB ILE A 53 -7.452 0.779 3.876 1.00 11.30 H new ATOM 0 HG12 ILE A 53 -6.850 -1.090 1.547 1.00 10.33 H new ATOM 0 HG13 ILE A 53 -8.234 -1.211 2.616 1.00 10.33 H new ATOM 0 HG21 ILE A 53 -6.209 1.909 2.023 1.00 22.41 H new ATOM 0 HG22 ILE A 53 -5.210 1.751 3.487 1.00 22.41 H new ATOM 0 HG23 ILE A 53 -4.954 0.651 2.112 1.00 22.41 H new ATOM 0 HD11 ILE A 53 -8.855 -0.169 0.490 1.00 33.31 H new ATOM 0 HD12 ILE A 53 -9.049 0.987 1.829 1.00 33.31 H new ATOM 0 HD13 ILE A 53 -7.644 1.110 0.745 1.00 33.31 H new ATOM 802 N GLN A 54 -7.931 -1.163 5.748 1.00 53.53 N ATOM 803 CA GLN A 54 -9.011 -1.899 6.454 1.00 52.10 C ATOM 804 C GLN A 54 -9.953 -2.657 5.483 1.00 4.41 C ATOM 805 O GLN A 54 -10.411 -3.761 5.784 1.00 34.14 O ATOM 806 CB GLN A 54 -9.807 -0.901 7.342 1.00 12.24 C ATOM 807 CG GLN A 54 -10.745 -1.554 8.380 1.00 11.52 C ATOM 808 CD GLN A 54 -11.490 -0.538 9.253 1.00 22.04 C ATOM 809 OE1 GLN A 54 -11.826 0.556 8.813 1.00 65.24 O ATOM 810 NE2 GLN A 54 -11.732 -0.882 10.502 1.00 2.11 N ATOM 0 H GLN A 54 -7.920 -0.164 5.953 1.00 53.53 H new ATOM 0 HA GLN A 54 -8.549 -2.663 7.079 1.00 52.10 H new ATOM 0 HB2 GLN A 54 -9.098 -0.261 7.867 1.00 12.24 H new ATOM 0 HB3 GLN A 54 -10.400 -0.255 6.694 1.00 12.24 H new ATOM 0 HG2 GLN A 54 -11.472 -2.177 7.860 1.00 11.52 H new ATOM 0 HG3 GLN A 54 -10.161 -2.214 9.022 1.00 11.52 H new ATOM 0 HE21 GLN A 54 -11.442 -1.798 10.844 1.00 2.11 H new ATOM 0 HE22 GLN A 54 -12.209 -0.232 11.127 1.00 2.11 H new ATOM 819 N GLU A 55 -10.202 -2.068 4.302 1.00 2.14 N ATOM 820 CA GLU A 55 -11.027 -2.690 3.239 1.00 12.42 C ATOM 821 C GLU A 55 -10.293 -3.893 2.569 1.00 65.14 C ATOM 822 O GLU A 55 -10.926 -4.821 2.059 1.00 54.15 O ATOM 823 CB GLU A 55 -11.364 -1.604 2.173 1.00 31.13 C ATOM 824 CG GLU A 55 -12.288 -2.048 1.015 1.00 3.42 C ATOM 825 CD GLU A 55 -13.766 -2.205 1.423 1.00 63.31 C ATOM 826 OE1 GLU A 55 -14.152 -3.273 1.946 1.00 65.04 O ATOM 827 OE2 GLU A 55 -14.557 -1.257 1.215 1.00 63.23 O ATOM 0 H GLU A 55 -9.840 -1.148 4.052 1.00 2.14 H new ATOM 0 HA GLU A 55 -11.942 -3.080 3.686 1.00 12.42 H new ATOM 0 HB2 GLU A 55 -11.831 -0.760 2.680 1.00 31.13 H new ATOM 0 HB3 GLU A 55 -10.429 -1.241 1.746 1.00 31.13 H new ATOM 0 HG2 GLU A 55 -12.219 -1.319 0.208 1.00 3.42 H new ATOM 0 HG3 GLU A 55 -11.928 -2.997 0.619 1.00 3.42 H new ATOM 834 N GLU A 56 -8.950 -3.872 2.628 1.00 74.41 N ATOM 835 CA GLU A 56 -8.071 -4.830 1.909 1.00 31.43 C ATOM 836 C GLU A 56 -7.826 -6.136 2.733 1.00 24.50 C ATOM 837 O GLU A 56 -7.322 -7.139 2.206 1.00 63.23 O ATOM 838 CB GLU A 56 -6.721 -4.112 1.586 1.00 32.01 C ATOM 839 CG GLU A 56 -5.842 -4.781 0.512 1.00 40.42 C ATOM 840 CD GLU A 56 -6.468 -4.747 -0.898 1.00 24.32 C ATOM 841 OE1 GLU A 56 -7.271 -5.644 -1.238 1.00 41.11 O ATOM 842 OE2 GLU A 56 -6.174 -3.818 -1.672 1.00 73.13 O ATOM 0 H GLU A 56 -8.433 -3.187 3.179 1.00 74.41 H new ATOM 0 HA GLU A 56 -8.563 -5.138 0.987 1.00 31.43 H new ATOM 0 HB2 GLU A 56 -6.941 -3.094 1.265 1.00 32.01 H new ATOM 0 HB3 GLU A 56 -6.142 -4.038 2.507 1.00 32.01 H new ATOM 0 HG2 GLU A 56 -4.873 -4.283 0.484 1.00 40.42 H new ATOM 0 HG3 GLU A 56 -5.659 -5.817 0.796 1.00 40.42 H new ATOM 849 N ILE A 57 -8.208 -6.103 4.027 1.00 55.33 N ATOM 850 CA ILE A 57 -7.971 -7.208 4.994 1.00 44.22 C ATOM 851 C ILE A 57 -9.300 -7.946 5.331 1.00 62.22 C ATOM 852 O ILE A 57 -10.332 -7.304 5.531 1.00 54.31 O ATOM 853 CB ILE A 57 -7.303 -6.645 6.314 1.00 73.11 C ATOM 854 CG1 ILE A 57 -5.916 -5.980 5.992 1.00 72.35 C ATOM 855 CG2 ILE A 57 -7.154 -7.748 7.393 1.00 30.44 C ATOM 856 CD1 ILE A 57 -5.211 -5.338 7.181 1.00 20.12 C ATOM 0 H ILE A 57 -8.693 -5.306 4.438 1.00 55.33 H new ATOM 0 HA ILE A 57 -7.292 -7.926 4.534 1.00 44.22 H new ATOM 0 HB ILE A 57 -7.964 -5.880 6.721 1.00 73.11 H new ATOM 0 HG12 ILE A 57 -5.258 -6.738 5.566 1.00 72.35 H new ATOM 0 HG13 ILE A 57 -6.065 -5.220 5.225 1.00 72.35 H new ATOM 0 HG21 ILE A 57 -6.692 -7.325 8.285 1.00 30.44 H new ATOM 0 HG22 ILE A 57 -8.137 -8.144 7.647 1.00 30.44 H new ATOM 0 HG23 ILE A 57 -6.528 -8.552 7.007 1.00 30.44 H new ATOM 0 HD11 ILE A 57 -4.264 -4.908 6.854 1.00 20.12 H new ATOM 0 HD12 ILE A 57 -5.842 -4.552 7.597 1.00 20.12 H new ATOM 0 HD13 ILE A 57 -5.022 -6.094 7.943 1.00 20.12 H new ATOM 868 N LYS A 58 -9.253 -9.298 5.400 1.00 0.31 N ATOM 869 CA LYS A 58 -10.437 -10.142 5.723 1.00 51.31 C ATOM 870 C LYS A 58 -10.844 -10.039 7.210 1.00 62.11 C ATOM 871 O LYS A 58 -11.994 -9.730 7.537 1.00 53.14 O ATOM 872 CB LYS A 58 -10.159 -11.627 5.342 1.00 15.32 C ATOM 873 CG LYS A 58 -11.275 -12.628 5.749 1.00 0.33 C ATOM 874 CD LYS A 58 -11.229 -13.954 4.952 1.00 23.44 C ATOM 875 CE LYS A 58 -11.599 -13.748 3.471 1.00 21.44 C ATOM 876 NZ LYS A 58 -11.667 -15.022 2.717 1.00 51.22 N ATOM 0 H LYS A 58 -8.401 -9.835 5.235 1.00 0.31 H new ATOM 0 HA LYS A 58 -11.273 -9.766 5.133 1.00 51.31 H new ATOM 0 HB2 LYS A 58 -10.012 -11.689 4.264 1.00 15.32 H new ATOM 0 HB3 LYS A 58 -9.225 -11.938 5.809 1.00 15.32 H new ATOM 0 HG2 LYS A 58 -11.185 -12.848 6.813 1.00 0.33 H new ATOM 0 HG3 LYS A 58 -12.247 -12.157 5.602 1.00 0.33 H new ATOM 0 HD2 LYS A 58 -10.230 -14.384 5.020 1.00 23.44 H new ATOM 0 HD3 LYS A 58 -11.916 -14.671 5.401 1.00 23.44 H new ATOM 0 HE2 LYS A 58 -12.562 -13.241 3.408 1.00 21.44 H new ATOM 0 HE3 LYS A 58 -10.863 -13.093 3.004 1.00 21.44 H new ATOM 0 HZ1 LYS A 58 -11.919 -14.827 1.727 1.00 51.22 H new ATOM 0 HZ2 LYS A 58 -10.742 -15.496 2.751 1.00 51.22 H new ATOM 0 HZ3 LYS A 58 -12.388 -15.639 3.143 1.00 51.22 H new ATOM 890 N ASP A 59 -9.872 -10.294 8.098 1.00 31.35 N ATOM 891 CA ASP A 59 -10.074 -10.303 9.570 1.00 2.40 C ATOM 892 C ASP A 59 -10.490 -8.904 10.144 1.00 62.00 C ATOM 893 O ASP A 59 -10.885 -8.803 11.320 1.00 22.45 O ATOM 894 CB ASP A 59 -8.772 -10.831 10.220 1.00 55.40 C ATOM 895 CG ASP A 59 -8.849 -11.028 11.749 1.00 2.52 C ATOM 896 OD1 ASP A 59 -9.416 -12.044 12.201 1.00 3.34 O ATOM 897 OD2 ASP A 59 -8.348 -10.165 12.499 1.00 22.40 O ATOM 0 H ASP A 59 -8.913 -10.503 7.821 1.00 31.35 H new ATOM 0 HA ASP A 59 -10.911 -10.958 9.811 1.00 2.40 H new ATOM 0 HB2 ASP A 59 -8.511 -11.783 9.757 1.00 55.40 H new ATOM 0 HB3 ASP A 59 -7.963 -10.136 9.997 1.00 55.40 H new ATOM 902 N ALA A 60 -10.406 -7.842 9.301 1.00 12.21 N ATOM 903 CA ALA A 60 -10.842 -6.473 9.658 1.00 21.23 C ATOM 904 C ALA A 60 -12.294 -6.432 10.198 1.00 43.14 C ATOM 905 O ALA A 60 -12.499 -6.158 11.381 1.00 13.34 O ATOM 906 CB ALA A 60 -10.673 -5.537 8.449 1.00 44.32 C ATOM 0 H ALA A 60 -10.033 -7.915 8.354 1.00 12.21 H new ATOM 0 HA ALA A 60 -10.204 -6.126 10.471 1.00 21.23 H new ATOM 0 HB1 ALA A 60 -10.996 -4.532 8.719 1.00 44.32 H new ATOM 0 HB2 ALA A 60 -9.625 -5.514 8.151 1.00 44.32 H new ATOM 0 HB3 ALA A 60 -11.278 -5.902 7.619 1.00 44.32 H new ATOM 912 N GLY A 61 -13.292 -6.753 9.347 1.00 11.01 N ATOM 913 CA GLY A 61 -14.709 -6.721 9.767 1.00 24.43 C ATOM 914 C GLY A 61 -15.238 -5.333 10.163 1.00 31.12 C ATOM 915 O GLY A 61 -16.131 -5.243 11.014 1.00 71.25 O ATOM 0 H GLY A 61 -13.146 -7.034 8.377 1.00 11.01 H new ATOM 0 HA2 GLY A 61 -15.322 -7.108 8.953 1.00 24.43 H new ATOM 0 HA3 GLY A 61 -14.837 -7.397 10.613 1.00 24.43 H new ATOM 919 N ASP A 62 -14.657 -4.259 9.566 1.00 32.31 N ATOM 920 CA ASP A 62 -14.907 -2.836 9.965 1.00 42.42 C ATOM 921 C ASP A 62 -14.461 -2.528 11.433 1.00 54.23 C ATOM 922 O ASP A 62 -14.798 -1.477 11.983 1.00 15.43 O ATOM 923 CB ASP A 62 -16.400 -2.436 9.727 1.00 41.22 C ATOM 924 CG ASP A 62 -16.783 -2.344 8.239 1.00 13.25 C ATOM 925 OD1 ASP A 62 -16.654 -3.350 7.511 1.00 35.33 O ATOM 926 OD2 ASP A 62 -17.215 -1.261 7.787 1.00 24.52 O ATOM 0 H ASP A 62 -13.999 -4.349 8.792 1.00 32.31 H new ATOM 0 HA ASP A 62 -14.282 -2.219 9.319 1.00 42.42 H new ATOM 0 HB2 ASP A 62 -17.045 -3.166 10.215 1.00 41.22 H new ATOM 0 HB3 ASP A 62 -16.590 -1.474 10.203 1.00 41.22 H new ATOM 931 N LYS A 63 -13.677 -3.445 12.034 1.00 21.42 N ATOM 932 CA LYS A 63 -13.100 -3.308 13.394 1.00 51.32 C ATOM 933 C LYS A 63 -11.673 -2.721 13.312 1.00 55.30 C ATOM 934 O LYS A 63 -10.916 -3.046 12.386 1.00 75.01 O ATOM 935 CB LYS A 63 -13.073 -4.714 14.066 1.00 63.44 C ATOM 936 CG LYS A 63 -12.349 -4.810 15.430 1.00 40.14 C ATOM 937 CD LYS A 63 -12.157 -6.277 15.935 1.00 3.34 C ATOM 938 CE LYS A 63 -11.169 -7.129 15.090 1.00 74.25 C ATOM 939 NZ LYS A 63 -11.727 -7.585 13.782 1.00 32.40 N ATOM 0 H LYS A 63 -13.419 -4.322 11.581 1.00 21.42 H new ATOM 0 HA LYS A 63 -13.710 -2.629 13.989 1.00 51.32 H new ATOM 0 HB2 LYS A 63 -14.102 -5.048 14.201 1.00 63.44 H new ATOM 0 HB3 LYS A 63 -12.598 -5.413 13.377 1.00 63.44 H new ATOM 0 HG2 LYS A 63 -11.373 -4.332 15.348 1.00 40.14 H new ATOM 0 HG3 LYS A 63 -12.917 -4.250 16.173 1.00 40.14 H new ATOM 0 HD2 LYS A 63 -11.802 -6.249 16.965 1.00 3.34 H new ATOM 0 HD3 LYS A 63 -13.127 -6.774 15.945 1.00 3.34 H new ATOM 0 HE2 LYS A 63 -10.268 -6.545 14.905 1.00 74.25 H new ATOM 0 HE3 LYS A 63 -10.870 -8.002 15.670 1.00 74.25 H new ATOM 0 HZ1 LYS A 63 -11.345 -8.524 13.550 1.00 32.40 H new ATOM 0 HZ2 LYS A 63 -12.764 -7.639 13.847 1.00 32.40 H new ATOM 0 HZ3 LYS A 63 -11.462 -6.910 13.037 1.00 32.40 H new ATOM 953 N THR A 64 -11.312 -1.872 14.292 1.00 74.45 N ATOM 954 CA THR A 64 -9.969 -1.260 14.377 1.00 65.23 C ATOM 955 C THR A 64 -8.928 -2.325 14.783 1.00 15.34 C ATOM 956 O THR A 64 -8.937 -2.817 15.918 1.00 12.23 O ATOM 957 CB THR A 64 -9.933 -0.078 15.411 1.00 53.14 C ATOM 958 OG1 THR A 64 -10.960 0.877 15.106 1.00 55.04 O ATOM 959 CG2 THR A 64 -8.567 0.646 15.435 1.00 20.40 C ATOM 0 H THR A 64 -11.939 -1.590 15.046 1.00 74.45 H new ATOM 0 HA THR A 64 -9.728 -0.859 13.392 1.00 65.23 H new ATOM 0 HB THR A 64 -10.100 -0.517 16.395 1.00 53.14 H new ATOM 0 HG1 THR A 64 -10.930 1.609 15.757 1.00 55.04 H new ATOM 0 HG21 THR A 64 -8.596 1.454 16.166 1.00 20.40 H new ATOM 0 HG22 THR A 64 -7.785 -0.062 15.708 1.00 20.40 H new ATOM 0 HG23 THR A 64 -8.356 1.057 14.448 1.00 20.40 H new ATOM 967 N LEU A 65 -8.066 -2.698 13.830 1.00 54.44 N ATOM 968 CA LEU A 65 -6.983 -3.672 14.051 1.00 24.21 C ATOM 969 C LEU A 65 -5.795 -2.989 14.781 1.00 62.12 C ATOM 970 O LEU A 65 -5.313 -1.937 14.357 1.00 64.14 O ATOM 971 CB LEU A 65 -6.557 -4.267 12.688 1.00 71.11 C ATOM 972 CG LEU A 65 -7.709 -4.910 11.846 1.00 4.43 C ATOM 973 CD1 LEU A 65 -7.222 -5.287 10.431 1.00 71.03 C ATOM 974 CD2 LEU A 65 -8.339 -6.122 12.576 1.00 53.31 C ATOM 0 H LEU A 65 -8.098 -2.333 12.878 1.00 54.44 H new ATOM 0 HA LEU A 65 -7.330 -4.486 14.688 1.00 24.21 H new ATOM 0 HB2 LEU A 65 -6.094 -3.478 12.095 1.00 71.11 H new ATOM 0 HB3 LEU A 65 -5.793 -5.024 12.864 1.00 71.11 H new ATOM 0 HG LEU A 65 -8.493 -4.161 11.734 1.00 4.43 H new ATOM 0 HD11 LEU A 65 -8.044 -5.731 9.870 1.00 71.03 H new ATOM 0 HD12 LEU A 65 -6.873 -4.392 9.916 1.00 71.03 H new ATOM 0 HD13 LEU A 65 -6.405 -6.004 10.507 1.00 71.03 H new ATOM 0 HD21 LEU A 65 -9.135 -6.543 11.962 1.00 53.31 H new ATOM 0 HD22 LEU A 65 -7.575 -6.880 12.749 1.00 53.31 H new ATOM 0 HD23 LEU A 65 -8.751 -5.797 13.531 1.00 53.31 H new ATOM 986 N GLN A 66 -5.338 -3.602 15.879 1.00 22.32 N ATOM 987 CA GLN A 66 -4.395 -2.975 16.842 1.00 54.23 C ATOM 988 C GLN A 66 -3.077 -3.799 16.922 1.00 64.31 C ATOM 989 O GLN A 66 -3.082 -4.982 16.565 1.00 44.10 O ATOM 990 CB GLN A 66 -5.087 -2.880 18.238 1.00 2.31 C ATOM 991 CG GLN A 66 -6.479 -2.207 18.217 1.00 24.12 C ATOM 992 CD GLN A 66 -7.174 -2.175 19.580 1.00 71.42 C ATOM 993 OE1 GLN A 66 -6.533 -2.098 20.621 1.00 35.34 O ATOM 994 NE2 GLN A 66 -8.488 -2.251 19.582 1.00 64.22 N ATOM 0 H GLN A 66 -5.607 -4.552 16.135 1.00 22.32 H new ATOM 0 HA GLN A 66 -4.135 -1.971 16.506 1.00 54.23 H new ATOM 0 HB2 GLN A 66 -5.189 -3.885 18.648 1.00 2.31 H new ATOM 0 HB3 GLN A 66 -4.438 -2.324 18.914 1.00 2.31 H new ATOM 0 HG2 GLN A 66 -6.372 -1.186 17.851 1.00 24.12 H new ATOM 0 HG3 GLN A 66 -7.116 -2.735 17.508 1.00 24.12 H new ATOM 0 HE21 GLN A 66 -8.997 -2.314 18.700 1.00 64.22 H new ATOM 0 HE22 GLN A 66 -8.998 -2.247 20.465 1.00 64.22 H new ATOM 1003 N PRO A 67 -1.920 -3.186 17.359 1.00 24.43 N ATOM 1004 CA PRO A 67 -0.618 -3.908 17.515 1.00 14.33 C ATOM 1005 C PRO A 67 -0.715 -5.242 18.323 1.00 43.40 C ATOM 1006 O PRO A 67 -1.106 -5.243 19.493 1.00 5.44 O ATOM 1007 CB PRO A 67 0.271 -2.870 18.243 1.00 24.01 C ATOM 1008 CG PRO A 67 -0.272 -1.543 17.803 1.00 14.24 C ATOM 1009 CD PRO A 67 -1.770 -1.736 17.688 1.00 14.22 C ATOM 0 HA PRO A 67 -0.227 -4.234 16.551 1.00 14.33 H new ATOM 0 HB2 PRO A 67 0.212 -2.985 19.325 1.00 24.01 H new ATOM 0 HB3 PRO A 67 1.320 -2.982 17.968 1.00 24.01 H new ATOM 0 HG2 PRO A 67 -0.031 -0.762 18.524 1.00 14.24 H new ATOM 0 HG3 PRO A 67 0.159 -1.240 16.849 1.00 14.24 H new ATOM 0 HD2 PRO A 67 -2.278 -1.483 18.618 1.00 14.22 H new ATOM 0 HD3 PRO A 67 -2.196 -1.103 16.909 1.00 14.22 H new ATOM 1017 N GLY A 68 -0.366 -6.368 17.669 1.00 75.32 N ATOM 1018 CA GLY A 68 -0.454 -7.716 18.274 1.00 75.45 C ATOM 1019 C GLY A 68 -1.575 -8.588 17.689 1.00 32.42 C ATOM 1020 O GLY A 68 -1.517 -9.821 17.788 1.00 13.43 O ATOM 0 H GLY A 68 -0.016 -6.371 16.711 1.00 75.32 H new ATOM 0 HA2 GLY A 68 0.499 -8.227 18.139 1.00 75.45 H new ATOM 0 HA3 GLY A 68 -0.610 -7.612 19.348 1.00 75.45 H new ATOM 1024 N ASP A 69 -2.607 -7.956 17.081 1.00 53.32 N ATOM 1025 CA ASP A 69 -3.741 -8.690 16.459 1.00 22.23 C ATOM 1026 C ASP A 69 -3.309 -9.424 15.174 1.00 4.24 C ATOM 1027 O ASP A 69 -2.568 -8.879 14.355 1.00 63.31 O ATOM 1028 CB ASP A 69 -4.929 -7.742 16.146 1.00 3.55 C ATOM 1029 CG ASP A 69 -5.659 -7.260 17.409 1.00 32.21 C ATOM 1030 OD1 ASP A 69 -6.107 -8.108 18.202 1.00 41.20 O ATOM 1031 OD2 ASP A 69 -5.799 -6.046 17.616 1.00 42.13 O ATOM 0 H ASP A 69 -2.680 -6.941 17.007 1.00 53.32 H new ATOM 0 HA ASP A 69 -4.068 -9.432 17.187 1.00 22.23 H new ATOM 0 HB2 ASP A 69 -4.561 -6.878 15.593 1.00 3.55 H new ATOM 0 HB3 ASP A 69 -5.637 -8.258 15.498 1.00 3.55 H new ATOM 1036 N GLN A 70 -3.806 -10.657 15.009 1.00 23.35 N ATOM 1037 CA GLN A 70 -3.442 -11.533 13.880 1.00 10.41 C ATOM 1038 C GLN A 70 -4.562 -11.539 12.814 1.00 51.25 C ATOM 1039 O GLN A 70 -5.706 -11.896 13.109 1.00 5.23 O ATOM 1040 CB GLN A 70 -3.168 -12.963 14.417 1.00 31.30 C ATOM 1041 CG GLN A 70 -2.604 -13.942 13.378 1.00 72.12 C ATOM 1042 CD GLN A 70 -2.140 -15.260 14.000 1.00 53.43 C ATOM 1043 OE1 GLN A 70 -2.888 -16.223 14.100 1.00 34.41 O ATOM 1044 NE2 GLN A 70 -0.895 -15.305 14.430 1.00 35.23 N ATOM 0 H GLN A 70 -4.474 -11.079 15.654 1.00 23.35 H new ATOM 0 HA GLN A 70 -2.539 -11.156 13.400 1.00 10.41 H new ATOM 0 HB2 GLN A 70 -2.468 -12.896 15.250 1.00 31.30 H new ATOM 0 HB3 GLN A 70 -4.097 -13.371 14.814 1.00 31.30 H new ATOM 0 HG2 GLN A 70 -3.367 -14.148 12.627 1.00 72.12 H new ATOM 0 HG3 GLN A 70 -1.766 -13.474 12.861 1.00 72.12 H new ATOM 0 HE21 GLN A 70 -0.293 -14.488 14.334 1.00 35.23 H new ATOM 0 HE22 GLN A 70 -0.534 -16.157 14.858 1.00 35.23 H new ATOM 1053 N VAL A 71 -4.216 -11.159 11.569 1.00 33.14 N ATOM 1054 CA VAL A 71 -5.178 -10.997 10.453 1.00 52.05 C ATOM 1055 C VAL A 71 -4.840 -11.915 9.248 1.00 21.35 C ATOM 1056 O VAL A 71 -3.761 -12.497 9.184 1.00 63.20 O ATOM 1057 CB VAL A 71 -5.223 -9.487 9.982 1.00 52.31 C ATOM 1058 CG1 VAL A 71 -5.638 -8.552 11.148 1.00 32.22 C ATOM 1059 CG2 VAL A 71 -3.874 -9.033 9.350 1.00 53.25 C ATOM 0 H VAL A 71 -3.253 -10.953 11.303 1.00 33.14 H new ATOM 0 HA VAL A 71 -6.158 -11.293 10.828 1.00 52.05 H new ATOM 0 HB VAL A 71 -5.982 -9.414 9.203 1.00 52.31 H new ATOM 0 HG11 VAL A 71 -5.661 -7.520 10.797 1.00 32.22 H new ATOM 0 HG12 VAL A 71 -6.628 -8.835 11.507 1.00 32.22 H new ATOM 0 HG13 VAL A 71 -4.918 -8.642 11.961 1.00 32.22 H new ATOM 0 HG21 VAL A 71 -3.950 -7.991 9.041 1.00 53.25 H new ATOM 0 HG22 VAL A 71 -3.075 -9.137 10.084 1.00 53.25 H new ATOM 0 HG23 VAL A 71 -3.652 -9.654 8.482 1.00 53.25 H new ATOM 1069 N ILE A 72 -5.797 -12.046 8.308 1.00 40.23 N ATOM 1070 CA ILE A 72 -5.601 -12.765 7.021 1.00 71.21 C ATOM 1071 C ILE A 72 -5.608 -11.757 5.840 1.00 12.02 C ATOM 1072 O ILE A 72 -6.469 -10.864 5.778 1.00 62.21 O ATOM 1073 CB ILE A 72 -6.714 -13.869 6.804 1.00 61.31 C ATOM 1074 CG1 ILE A 72 -6.656 -14.951 7.934 1.00 71.44 C ATOM 1075 CG2 ILE A 72 -6.615 -14.533 5.396 1.00 71.34 C ATOM 1076 CD1 ILE A 72 -5.355 -15.747 7.995 1.00 61.23 C ATOM 0 H ILE A 72 -6.734 -11.657 8.415 1.00 40.23 H new ATOM 0 HA ILE A 72 -4.634 -13.266 7.058 1.00 71.21 H new ATOM 0 HB ILE A 72 -7.679 -13.366 6.857 1.00 61.31 H new ATOM 0 HG12 ILE A 72 -6.810 -14.460 8.895 1.00 71.44 H new ATOM 0 HG13 ILE A 72 -7.484 -15.646 7.794 1.00 71.44 H new ATOM 0 HG21 ILE A 72 -7.398 -15.284 5.292 1.00 71.34 H new ATOM 0 HG22 ILE A 72 -6.737 -13.772 4.625 1.00 71.34 H new ATOM 0 HG23 ILE A 72 -5.640 -15.008 5.285 1.00 71.34 H new ATOM 0 HD11 ILE A 72 -5.409 -16.471 8.808 1.00 61.23 H new ATOM 0 HD12 ILE A 72 -5.205 -16.272 7.051 1.00 61.23 H new ATOM 0 HD13 ILE A 72 -4.521 -15.068 8.169 1.00 61.23 H new ATOM 1088 N LEU A 73 -4.649 -11.925 4.908 1.00 62.53 N ATOM 1089 CA LEU A 73 -4.486 -11.053 3.722 1.00 31.40 C ATOM 1090 C LEU A 73 -5.184 -11.664 2.479 1.00 43.23 C ATOM 1091 O LEU A 73 -4.801 -12.739 2.004 1.00 62.03 O ATOM 1092 CB LEU A 73 -2.971 -10.837 3.448 1.00 64.32 C ATOM 1093 CG LEU A 73 -2.147 -10.217 4.629 1.00 75.12 C ATOM 1094 CD1 LEU A 73 -0.642 -10.138 4.280 1.00 4.12 C ATOM 1095 CD2 LEU A 73 -2.712 -8.831 5.048 1.00 44.34 C ATOM 0 H LEU A 73 -3.959 -12.675 4.955 1.00 62.53 H new ATOM 0 HA LEU A 73 -4.958 -10.092 3.924 1.00 31.40 H new ATOM 0 HB2 LEU A 73 -2.528 -11.798 3.185 1.00 64.32 H new ATOM 0 HB3 LEU A 73 -2.867 -10.189 2.578 1.00 64.32 H new ATOM 0 HG LEU A 73 -2.249 -10.880 5.488 1.00 75.12 H new ATOM 0 HD11 LEU A 73 -0.096 -9.704 5.118 1.00 4.12 H new ATOM 0 HD12 LEU A 73 -0.262 -11.140 4.079 1.00 4.12 H new ATOM 0 HD13 LEU A 73 -0.506 -9.515 3.396 1.00 4.12 H new ATOM 0 HD21 LEU A 73 -2.118 -8.429 5.869 1.00 44.34 H new ATOM 0 HD22 LEU A 73 -2.667 -8.148 4.199 1.00 44.34 H new ATOM 0 HD23 LEU A 73 -3.747 -8.942 5.370 1.00 44.34 H new ATOM 1107 N GLU A 74 -6.232 -10.976 1.989 1.00 62.40 N ATOM 1108 CA GLU A 74 -6.947 -11.356 0.742 1.00 54.32 C ATOM 1109 C GLU A 74 -6.161 -10.922 -0.513 1.00 72.04 C ATOM 1110 O GLU A 74 -6.213 -11.586 -1.550 1.00 55.14 O ATOM 1111 CB GLU A 74 -8.345 -10.710 0.711 1.00 40.04 C ATOM 1112 CG GLU A 74 -9.236 -11.091 1.891 1.00 35.42 C ATOM 1113 CD GLU A 74 -10.588 -10.361 1.868 1.00 12.22 C ATOM 1114 OE1 GLU A 74 -10.661 -9.233 2.383 1.00 44.32 O ATOM 1115 OE2 GLU A 74 -11.569 -10.905 1.320 1.00 52.20 O ATOM 0 H GLU A 74 -6.611 -10.143 2.440 1.00 62.40 H new ATOM 0 HA GLU A 74 -7.041 -12.442 0.736 1.00 54.32 H new ATOM 0 HB2 GLU A 74 -8.232 -9.626 0.691 1.00 40.04 H new ATOM 0 HB3 GLU A 74 -8.845 -10.996 -0.215 1.00 40.04 H new ATOM 0 HG2 GLU A 74 -9.408 -12.167 1.880 1.00 35.42 H new ATOM 0 HG3 GLU A 74 -8.718 -10.861 2.822 1.00 35.42 H new ATOM 1122 N ALA A 75 -5.477 -9.771 -0.412 1.00 21.42 N ATOM 1123 CA ALA A 75 -4.648 -9.223 -1.502 1.00 34.32 C ATOM 1124 C ALA A 75 -3.235 -9.828 -1.501 1.00 54.52 C ATOM 1125 O ALA A 75 -2.794 -10.437 -0.517 1.00 3.34 O ATOM 1126 CB ALA A 75 -4.551 -7.698 -1.375 1.00 22.54 C ATOM 0 H ALA A 75 -5.482 -9.192 0.428 1.00 21.42 H new ATOM 0 HA ALA A 75 -5.130 -9.486 -2.444 1.00 34.32 H new ATOM 0 HB1 ALA A 75 -3.937 -7.304 -2.185 1.00 22.54 H new ATOM 0 HB2 ALA A 75 -5.549 -7.264 -1.432 1.00 22.54 H new ATOM 0 HB3 ALA A 75 -4.098 -7.441 -0.418 1.00 22.54 H new ATOM 1132 N SER A 76 -2.530 -9.629 -2.617 1.00 13.11 N ATOM 1133 CA SER A 76 -1.119 -10.012 -2.746 1.00 13.22 C ATOM 1134 C SER A 76 -0.354 -8.990 -3.590 1.00 60.21 C ATOM 1135 O SER A 76 -0.745 -8.683 -4.714 1.00 61.22 O ATOM 1136 CB SER A 76 -1.001 -11.416 -3.382 1.00 11.11 C ATOM 1137 OG SER A 76 -1.690 -11.489 -4.617 1.00 24.24 O ATOM 0 H SER A 76 -2.919 -9.199 -3.456 1.00 13.11 H new ATOM 0 HA SER A 76 -0.680 -10.035 -1.749 1.00 13.22 H new ATOM 0 HB2 SER A 76 0.050 -11.659 -3.536 1.00 11.11 H new ATOM 0 HB3 SER A 76 -1.403 -12.162 -2.696 1.00 11.11 H new ATOM 0 HG SER A 76 -1.578 -10.646 -5.105 1.00 24.24 H new ATOM 1143 N HIS A 77 0.743 -8.465 -3.030 1.00 44.13 N ATOM 1144 CA HIS A 77 1.745 -7.669 -3.766 1.00 53.41 C ATOM 1145 C HIS A 77 2.963 -8.564 -4.126 1.00 40.04 C ATOM 1146 O HIS A 77 3.938 -8.096 -4.731 1.00 22.33 O ATOM 1147 CB HIS A 77 2.188 -6.455 -2.892 1.00 64.13 C ATOM 1148 CG HIS A 77 1.054 -5.568 -2.395 1.00 31.22 C ATOM 1149 ND1 HIS A 77 1.225 -4.728 -1.323 1.00 53.44 N ATOM 1150 CD2 HIS A 77 -0.220 -5.417 -2.862 1.00 42.11 C ATOM 1151 CE1 HIS A 77 0.078 -4.094 -1.161 1.00 24.14 C ATOM 1152 NE2 HIS A 77 -0.827 -4.480 -2.069 1.00 72.43 N ATOM 0 H HIS A 77 0.966 -8.580 -2.041 1.00 44.13 H new ATOM 0 HA HIS A 77 1.310 -7.292 -4.691 1.00 53.41 H new ATOM 0 HB2 HIS A 77 2.740 -6.830 -2.030 1.00 64.13 H new ATOM 0 HB3 HIS A 77 2.880 -5.843 -3.471 1.00 64.13 H new ATOM 0 HD2 HIS A 77 -0.664 -5.937 -3.698 1.00 42.11 H new ATOM 0 HE1 HIS A 77 -0.107 -3.357 -0.393 1.00 24.14 H new ATOM 0 HE2 HIS A 77 -1.785 -4.141 -2.154 1.00 72.43 H new ATOM 1160 N MET A 78 2.882 -9.859 -3.741 1.00 23.24 N ATOM 1161 CA MET A 78 3.939 -10.865 -3.973 1.00 50.23 C ATOM 1162 C MET A 78 3.356 -12.308 -3.981 1.00 73.41 C ATOM 1163 O MET A 78 2.230 -12.546 -3.520 1.00 53.15 O ATOM 1164 CB MET A 78 5.069 -10.721 -2.914 1.00 15.54 C ATOM 1165 CG MET A 78 4.622 -10.860 -1.454 1.00 51.45 C ATOM 1166 SD MET A 78 5.991 -10.648 -0.293 1.00 11.12 S ATOM 1167 CE MET A 78 6.459 -8.934 -0.581 1.00 32.13 C ATOM 0 H MET A 78 2.069 -10.237 -3.254 1.00 23.24 H new ATOM 0 HA MET A 78 4.369 -10.683 -4.958 1.00 50.23 H new ATOM 0 HB2 MET A 78 5.831 -11.473 -3.116 1.00 15.54 H new ATOM 0 HB3 MET A 78 5.541 -9.747 -3.041 1.00 15.54 H new ATOM 0 HG2 MET A 78 3.850 -10.120 -1.241 1.00 51.45 H new ATOM 0 HG3 MET A 78 4.172 -11.842 -1.306 1.00 51.45 H new ATOM 0 HE1 MET A 78 6.556 -8.418 0.374 1.00 32.13 H new ATOM 0 HE2 MET A 78 7.411 -8.901 -1.110 1.00 32.13 H new ATOM 0 HE3 MET A 78 5.693 -8.444 -1.182 1.00 32.13 H new ATOM 1177 N LYS A 79 4.181 -13.254 -4.467 1.00 44.33 N ATOM 1178 CA LYS A 79 3.796 -14.659 -4.793 1.00 42.11 C ATOM 1179 C LYS A 79 3.110 -15.452 -3.637 1.00 23.45 C ATOM 1180 O LYS A 79 2.260 -16.308 -3.901 1.00 51.15 O ATOM 1181 CB LYS A 79 5.067 -15.411 -5.286 1.00 44.24 C ATOM 1182 CG LYS A 79 6.219 -15.442 -4.253 1.00 32.04 C ATOM 1183 CD LYS A 79 7.558 -15.951 -4.835 1.00 24.20 C ATOM 1184 CE LYS A 79 8.704 -15.895 -3.808 1.00 41.14 C ATOM 1185 NZ LYS A 79 10.003 -16.301 -4.403 1.00 2.34 N ATOM 0 H LYS A 79 5.166 -13.066 -4.653 1.00 44.33 H new ATOM 0 HA LYS A 79 3.031 -14.599 -5.567 1.00 42.11 H new ATOM 0 HB2 LYS A 79 4.795 -16.435 -5.542 1.00 44.24 H new ATOM 0 HB3 LYS A 79 5.425 -14.938 -6.200 1.00 44.24 H new ATOM 0 HG2 LYS A 79 6.364 -14.439 -3.853 1.00 32.04 H new ATOM 0 HG3 LYS A 79 5.930 -16.079 -3.418 1.00 32.04 H new ATOM 0 HD2 LYS A 79 7.434 -16.977 -5.181 1.00 24.20 H new ATOM 0 HD3 LYS A 79 7.824 -15.351 -5.705 1.00 24.20 H new ATOM 0 HE2 LYS A 79 8.787 -14.883 -3.412 1.00 41.14 H new ATOM 0 HE3 LYS A 79 8.470 -16.548 -2.967 1.00 41.14 H new ATOM 0 HZ1 LYS A 79 10.748 -16.249 -3.679 1.00 2.34 H new ATOM 0 HZ2 LYS A 79 9.932 -17.276 -4.758 1.00 2.34 H new ATOM 0 HZ3 LYS A 79 10.240 -15.662 -5.189 1.00 2.34 H new ATOM 1199 N GLY A 80 3.475 -15.169 -2.370 1.00 32.30 N ATOM 1200 CA GLY A 80 2.925 -15.913 -1.210 1.00 23.33 C ATOM 1201 C GLY A 80 2.220 -15.027 -0.179 1.00 54.14 C ATOM 1202 O GLY A 80 2.146 -15.387 1.000 1.00 54.21 O ATOM 0 H GLY A 80 4.142 -14.438 -2.121 1.00 32.30 H new ATOM 0 HA2 GLY A 80 2.221 -16.662 -1.573 1.00 23.33 H new ATOM 0 HA3 GLY A 80 3.736 -16.450 -0.718 1.00 23.33 H new ATOM 1206 N MET A 81 1.687 -13.872 -0.622 1.00 4.32 N ATOM 1207 CA MET A 81 1.023 -12.894 0.277 1.00 44.23 C ATOM 1208 C MET A 81 -0.494 -13.174 0.423 1.00 4.52 C ATOM 1209 O MET A 81 -1.050 -13.039 1.521 1.00 23.22 O ATOM 1210 CB MET A 81 1.265 -11.455 -0.229 1.00 72.13 C ATOM 1211 CG MET A 81 0.689 -10.347 0.659 1.00 13.24 C ATOM 1212 SD MET A 81 1.111 -8.704 0.041 1.00 24.14 S ATOM 1213 CE MET A 81 0.354 -7.645 1.268 1.00 15.01 C ATOM 0 H MET A 81 1.701 -13.588 -1.601 1.00 4.32 H new ATOM 0 HA MET A 81 1.466 -13.003 1.267 1.00 44.23 H new ATOM 0 HB2 MET A 81 2.339 -11.298 -0.329 1.00 72.13 H new ATOM 0 HB3 MET A 81 0.835 -11.360 -1.226 1.00 72.13 H new ATOM 0 HG2 MET A 81 -0.395 -10.449 0.710 1.00 13.24 H new ATOM 0 HG3 MET A 81 1.068 -10.462 1.675 1.00 13.24 H new ATOM 0 HE1 MET A 81 0.536 -6.602 1.011 1.00 15.01 H new ATOM 0 HE2 MET A 81 -0.720 -7.830 1.295 1.00 15.01 H new ATOM 0 HE3 MET A 81 0.784 -7.858 2.247 1.00 15.01 H new ATOM 1223 N LYS A 82 -1.171 -13.515 -0.691 1.00 43.12 N ATOM 1224 CA LYS A 82 -2.592 -13.935 -0.646 1.00 54.44 C ATOM 1225 C LYS A 82 -2.736 -15.295 0.078 1.00 13.20 C ATOM 1226 O LYS A 82 -2.139 -16.297 -0.340 1.00 63.44 O ATOM 1227 CB LYS A 82 -3.218 -14.011 -2.065 1.00 60.44 C ATOM 1228 CG LYS A 82 -4.716 -14.393 -2.053 1.00 52.42 C ATOM 1229 CD LYS A 82 -5.388 -14.350 -3.440 1.00 0.42 C ATOM 1230 CE LYS A 82 -6.895 -14.682 -3.354 1.00 4.21 C ATOM 1231 NZ LYS A 82 -7.572 -14.585 -4.671 1.00 44.12 N ATOM 0 H LYS A 82 -0.765 -13.509 -1.626 1.00 43.12 H new ATOM 0 HA LYS A 82 -3.137 -13.176 -0.085 1.00 54.44 H new ATOM 0 HB2 LYS A 82 -3.100 -13.046 -2.559 1.00 60.44 H new ATOM 0 HB3 LYS A 82 -2.669 -14.742 -2.658 1.00 60.44 H new ATOM 0 HG2 LYS A 82 -4.821 -15.397 -1.642 1.00 52.42 H new ATOM 0 HG3 LYS A 82 -5.247 -13.717 -1.383 1.00 52.42 H new ATOM 0 HD2 LYS A 82 -5.258 -13.360 -3.877 1.00 0.42 H new ATOM 0 HD3 LYS A 82 -4.896 -15.060 -4.105 1.00 0.42 H new ATOM 0 HE2 LYS A 82 -7.020 -15.690 -2.958 1.00 4.21 H new ATOM 0 HE3 LYS A 82 -7.375 -14.001 -2.651 1.00 4.21 H new ATOM 0 HZ1 LYS A 82 -8.580 -14.817 -4.561 1.00 44.12 H new ATOM 0 HZ2 LYS A 82 -7.477 -13.617 -5.040 1.00 44.12 H new ATOM 0 HZ3 LYS A 82 -7.134 -15.253 -5.337 1.00 44.12 H new ATOM 1245 N GLY A 83 -3.516 -15.306 1.170 1.00 75.32 N ATOM 1246 CA GLY A 83 -3.689 -16.499 2.003 1.00 21.30 C ATOM 1247 C GLY A 83 -2.672 -16.568 3.147 1.00 54.22 C ATOM 1248 O GLY A 83 -2.706 -17.509 3.951 1.00 73.25 O ATOM 0 H GLY A 83 -4.039 -14.493 1.496 1.00 75.32 H new ATOM 0 HA2 GLY A 83 -4.697 -16.506 2.417 1.00 21.30 H new ATOM 0 HA3 GLY A 83 -3.593 -17.389 1.381 1.00 21.30 H new ATOM 1252 N ALA A 84 -1.764 -15.564 3.220 1.00 74.25 N ATOM 1253 CA ALA A 84 -0.750 -15.473 4.285 1.00 35.03 C ATOM 1254 C ALA A 84 -1.350 -14.943 5.597 1.00 62.14 C ATOM 1255 O ALA A 84 -2.261 -14.101 5.598 1.00 71.20 O ATOM 1256 CB ALA A 84 0.440 -14.591 3.850 1.00 72.01 C ATOM 0 H ALA A 84 -1.719 -14.802 2.544 1.00 74.25 H new ATOM 0 HA ALA A 84 -0.386 -16.485 4.464 1.00 35.03 H new ATOM 0 HB1 ALA A 84 1.171 -14.543 4.657 1.00 72.01 H new ATOM 0 HB2 ALA A 84 0.906 -15.020 2.963 1.00 72.01 H new ATOM 0 HB3 ALA A 84 0.084 -13.586 3.623 1.00 72.01 H new ATOM 1262 N THR A 85 -0.818 -15.461 6.704 1.00 62.43 N ATOM 1263 CA THR A 85 -1.168 -15.022 8.059 1.00 4.44 C ATOM 1264 C THR A 85 -0.249 -13.846 8.460 1.00 33.32 C ATOM 1265 O THR A 85 0.975 -13.984 8.453 1.00 70.13 O ATOM 1266 CB THR A 85 -1.015 -16.198 9.082 1.00 3.21 C ATOM 1267 OG1 THR A 85 -1.794 -17.329 8.650 1.00 44.00 O ATOM 1268 CG2 THR A 85 -1.450 -15.793 10.502 1.00 23.22 C ATOM 0 H THR A 85 -0.123 -16.207 6.687 1.00 62.43 H new ATOM 0 HA THR A 85 -2.209 -14.699 8.071 1.00 4.44 H new ATOM 0 HB THR A 85 0.042 -16.460 9.117 1.00 3.21 H new ATOM 0 HG1 THR A 85 -1.692 -18.061 9.293 1.00 44.00 H new ATOM 0 HG21 THR A 85 -1.326 -16.641 11.176 1.00 23.22 H new ATOM 0 HG22 THR A 85 -0.836 -14.962 10.848 1.00 23.22 H new ATOM 0 HG23 THR A 85 -2.497 -15.490 10.489 1.00 23.22 H new ATOM 1276 N ALA A 86 -0.853 -12.701 8.803 1.00 3.10 N ATOM 1277 CA ALA A 86 -0.130 -11.456 9.139 1.00 64.54 C ATOM 1278 C ALA A 86 -0.434 -11.021 10.585 1.00 51.44 C ATOM 1279 O ALA A 86 -1.390 -11.489 11.194 1.00 45.53 O ATOM 1280 CB ALA A 86 -0.510 -10.346 8.142 1.00 61.24 C ATOM 0 H ALA A 86 -1.867 -12.606 8.857 1.00 3.10 H new ATOM 0 HA ALA A 86 0.942 -11.641 9.066 1.00 64.54 H new ATOM 0 HB1 ALA A 86 0.026 -9.431 8.395 1.00 61.24 H new ATOM 0 HB2 ALA A 86 -0.242 -10.657 7.132 1.00 61.24 H new ATOM 0 HB3 ALA A 86 -1.583 -10.164 8.192 1.00 61.24 H new ATOM 1286 N GLU A 87 0.404 -10.137 11.128 1.00 52.13 N ATOM 1287 CA GLU A 87 0.213 -9.539 12.460 1.00 54.14 C ATOM 1288 C GLU A 87 0.398 -8.009 12.378 1.00 24.11 C ATOM 1289 O GLU A 87 1.407 -7.528 11.846 1.00 4.33 O ATOM 1290 CB GLU A 87 1.212 -10.170 13.466 1.00 31.43 C ATOM 1291 CG GLU A 87 1.094 -9.649 14.912 1.00 52.41 C ATOM 1292 CD GLU A 87 2.141 -10.263 15.861 1.00 3.22 C ATOM 1293 OE1 GLU A 87 3.355 -10.030 15.648 1.00 53.31 O ATOM 1294 OE2 GLU A 87 1.767 -10.964 16.825 1.00 33.40 O ATOM 0 H GLU A 87 1.246 -9.809 10.654 1.00 52.13 H new ATOM 0 HA GLU A 87 -0.799 -9.741 12.811 1.00 54.14 H new ATOM 0 HB2 GLU A 87 1.066 -11.250 13.472 1.00 31.43 H new ATOM 0 HB3 GLU A 87 2.226 -9.987 13.111 1.00 31.43 H new ATOM 0 HG2 GLU A 87 1.204 -8.565 14.912 1.00 52.41 H new ATOM 0 HG3 GLU A 87 0.096 -9.868 15.291 1.00 52.41 H new ATOM 1301 N ILE A 88 -0.590 -7.258 12.900 1.00 52.21 N ATOM 1302 CA ILE A 88 -0.583 -5.780 12.899 1.00 43.33 C ATOM 1303 C ILE A 88 0.551 -5.243 13.805 1.00 74.34 C ATOM 1304 O ILE A 88 0.572 -5.517 15.003 1.00 12.44 O ATOM 1305 CB ILE A 88 -1.967 -5.198 13.393 1.00 40.14 C ATOM 1306 CG1 ILE A 88 -3.160 -5.816 12.594 1.00 72.15 C ATOM 1307 CG2 ILE A 88 -1.993 -3.642 13.323 1.00 54.24 C ATOM 1308 CD1 ILE A 88 -3.200 -5.474 11.113 1.00 71.21 C ATOM 0 H ILE A 88 -1.420 -7.660 13.337 1.00 52.21 H new ATOM 0 HA ILE A 88 -0.414 -5.455 11.872 1.00 43.33 H new ATOM 0 HB ILE A 88 -2.082 -5.481 14.439 1.00 40.14 H new ATOM 0 HG12 ILE A 88 -3.122 -6.900 12.698 1.00 72.15 H new ATOM 0 HG13 ILE A 88 -4.092 -5.484 13.051 1.00 72.15 H new ATOM 0 HG21 ILE A 88 -2.960 -3.278 13.670 1.00 54.24 H new ATOM 0 HG22 ILE A 88 -1.204 -3.236 13.956 1.00 54.24 H new ATOM 0 HG23 ILE A 88 -1.833 -3.321 12.294 1.00 54.24 H new ATOM 0 HD11 ILE A 88 -4.065 -5.952 10.653 1.00 71.21 H new ATOM 0 HD12 ILE A 88 -3.274 -4.393 10.991 1.00 71.21 H new ATOM 0 HD13 ILE A 88 -2.289 -5.831 10.632 1.00 71.21 H new ATOM 1320 N ASP A 89 1.514 -4.542 13.207 1.00 72.23 N ATOM 1321 CA ASP A 89 2.571 -3.820 13.941 1.00 30.34 C ATOM 1322 C ASP A 89 2.071 -2.445 14.430 1.00 21.13 C ATOM 1323 O ASP A 89 2.424 -1.995 15.529 1.00 40.32 O ATOM 1324 CB ASP A 89 3.790 -3.617 13.025 1.00 63.14 C ATOM 1325 CG ASP A 89 4.347 -4.940 12.497 1.00 4.13 C ATOM 1326 OD1 ASP A 89 5.111 -5.607 13.232 1.00 4.21 O ATOM 1327 OD2 ASP A 89 4.018 -5.323 11.356 1.00 43.42 O ATOM 0 H ASP A 89 1.589 -4.454 12.194 1.00 72.23 H new ATOM 0 HA ASP A 89 2.849 -4.418 14.809 1.00 30.34 H new ATOM 0 HB2 ASP A 89 3.508 -2.983 12.184 1.00 63.14 H new ATOM 0 HB3 ASP A 89 4.570 -3.090 13.574 1.00 63.14 H new ATOM 1332 N SER A 90 1.239 -1.800 13.595 1.00 74.41 N ATOM 1333 CA SER A 90 0.750 -0.420 13.830 1.00 32.53 C ATOM 1334 C SER A 90 -0.505 -0.117 12.978 1.00 53.43 C ATOM 1335 O SER A 90 -0.692 -0.692 11.898 1.00 63.10 O ATOM 1336 CB SER A 90 1.865 0.614 13.507 1.00 22.41 C ATOM 1337 OG SER A 90 1.408 1.955 13.645 1.00 11.33 O ATOM 0 H SER A 90 0.883 -2.217 12.735 1.00 74.41 H new ATOM 0 HA SER A 90 0.479 -0.340 14.883 1.00 32.53 H new ATOM 0 HB2 SER A 90 2.714 0.451 14.171 1.00 22.41 H new ATOM 0 HB3 SER A 90 2.222 0.456 12.489 1.00 22.41 H new ATOM 0 HG SER A 90 2.139 2.573 13.435 1.00 11.33 H new ATOM 1343 N ALA A 91 -1.355 0.788 13.486 1.00 20.14 N ATOM 1344 CA ALA A 91 -2.519 1.326 12.755 1.00 22.22 C ATOM 1345 C ALA A 91 -2.325 2.843 12.528 1.00 11.44 C ATOM 1346 O ALA A 91 -2.025 3.583 13.475 1.00 61.24 O ATOM 1347 CB ALA A 91 -3.814 1.056 13.546 1.00 44.30 C ATOM 0 H ALA A 91 -1.255 1.173 14.425 1.00 20.14 H new ATOM 0 HA ALA A 91 -2.602 0.830 11.788 1.00 22.22 H new ATOM 0 HB1 ALA A 91 -4.666 1.457 12.997 1.00 44.30 H new ATOM 0 HB2 ALA A 91 -3.942 -0.018 13.679 1.00 44.30 H new ATOM 0 HB3 ALA A 91 -3.752 1.538 14.522 1.00 44.30 H new ATOM 1353 N GLU A 92 -2.520 3.299 11.280 1.00 52.41 N ATOM 1354 CA GLU A 92 -2.331 4.715 10.896 1.00 44.21 C ATOM 1355 C GLU A 92 -3.510 5.195 10.024 1.00 21.21 C ATOM 1356 O GLU A 92 -3.763 4.644 8.955 1.00 51.13 O ATOM 1357 CB GLU A 92 -0.981 4.895 10.149 1.00 71.40 C ATOM 1358 CG GLU A 92 -0.628 6.360 9.832 1.00 0.25 C ATOM 1359 CD GLU A 92 0.778 6.527 9.239 1.00 31.22 C ATOM 1360 OE1 GLU A 92 1.762 6.228 9.949 1.00 41.42 O ATOM 1361 OE2 GLU A 92 0.915 6.973 8.081 1.00 64.51 O ATOM 0 H GLU A 92 -2.813 2.701 10.507 1.00 52.41 H new ATOM 0 HA GLU A 92 -2.305 5.324 11.799 1.00 44.21 H new ATOM 0 HB2 GLU A 92 -0.183 4.463 10.753 1.00 71.40 H new ATOM 0 HB3 GLU A 92 -1.016 4.331 9.217 1.00 71.40 H new ATOM 0 HG2 GLU A 92 -1.361 6.760 9.132 1.00 0.25 H new ATOM 0 HG3 GLU A 92 -0.703 6.951 10.745 1.00 0.25 H new ATOM 1368 N LYS A 93 -4.231 6.227 10.498 1.00 13.13 N ATOM 1369 CA LYS A 93 -5.424 6.758 9.807 1.00 44.43 C ATOM 1370 C LYS A 93 -4.966 7.870 8.843 1.00 53.33 C ATOM 1371 O LYS A 93 -4.797 9.027 9.239 1.00 3.30 O ATOM 1372 CB LYS A 93 -6.477 7.306 10.833 1.00 2.15 C ATOM 1373 CG LYS A 93 -6.869 6.326 11.975 1.00 24.22 C ATOM 1374 CD LYS A 93 -5.823 6.272 13.123 1.00 61.14 C ATOM 1375 CE LYS A 93 -6.135 5.217 14.197 1.00 31.53 C ATOM 1376 NZ LYS A 93 -5.096 5.202 15.265 1.00 74.22 N ATOM 0 H LYS A 93 -4.007 6.715 11.365 1.00 13.13 H new ATOM 0 HA LYS A 93 -5.911 5.958 9.249 1.00 44.43 H new ATOM 0 HB2 LYS A 93 -6.083 8.219 11.280 1.00 2.15 H new ATOM 0 HB3 LYS A 93 -7.380 7.582 10.288 1.00 2.15 H new ATOM 0 HG2 LYS A 93 -7.834 6.624 12.385 1.00 24.22 H new ATOM 0 HG3 LYS A 93 -6.995 5.326 11.560 1.00 24.22 H new ATOM 0 HD2 LYS A 93 -4.841 6.065 12.698 1.00 61.14 H new ATOM 0 HD3 LYS A 93 -5.765 7.252 13.596 1.00 61.14 H new ATOM 0 HE2 LYS A 93 -7.110 5.423 14.639 1.00 31.53 H new ATOM 0 HE3 LYS A 93 -6.197 4.232 13.734 1.00 31.53 H new ATOM 0 HZ1 LYS A 93 -5.337 4.480 15.973 1.00 74.22 H new ATOM 0 HZ2 LYS A 93 -4.170 4.981 14.846 1.00 74.22 H new ATOM 0 HZ3 LYS A 93 -5.055 6.135 15.722 1.00 74.22 H new ATOM 1390 N THR A 94 -4.725 7.490 7.583 1.00 64.21 N ATOM 1391 CA THR A 94 -4.158 8.390 6.558 1.00 2.22 C ATOM 1392 C THR A 94 -4.891 8.224 5.213 1.00 41.52 C ATOM 1393 O THR A 94 -5.443 7.158 4.922 1.00 13.10 O ATOM 1394 CB THR A 94 -2.620 8.147 6.364 1.00 74.53 C ATOM 1395 OG1 THR A 94 -2.114 9.020 5.339 1.00 11.45 O ATOM 1396 CG2 THR A 94 -2.288 6.684 6.001 1.00 51.11 C ATOM 0 H THR A 94 -4.916 6.549 7.239 1.00 64.21 H new ATOM 0 HA THR A 94 -4.299 9.411 6.913 1.00 2.22 H new ATOM 0 HB THR A 94 -2.141 8.363 7.319 1.00 74.53 H new ATOM 0 HG1 THR A 94 -1.143 9.107 5.434 1.00 11.45 H new ATOM 0 HG21 THR A 94 -1.210 6.575 5.879 1.00 51.11 H new ATOM 0 HG22 THR A 94 -2.632 6.024 6.798 1.00 51.11 H new ATOM 0 HG23 THR A 94 -2.787 6.418 5.069 1.00 51.11 H new ATOM 1404 N THR A 95 -4.874 9.284 4.394 1.00 52.44 N ATOM 1405 CA THR A 95 -5.464 9.251 3.040 1.00 60.34 C ATOM 1406 C THR A 95 -4.466 8.579 2.068 1.00 61.05 C ATOM 1407 O THR A 95 -3.292 8.966 1.995 1.00 50.43 O ATOM 1408 CB THR A 95 -5.841 10.685 2.523 1.00 63.44 C ATOM 1409 OG1 THR A 95 -6.647 11.355 3.505 1.00 3.15 O ATOM 1410 CG2 THR A 95 -6.617 10.651 1.185 1.00 42.54 C ATOM 0 H THR A 95 -4.457 10.181 4.643 1.00 52.44 H new ATOM 0 HA THR A 95 -6.388 8.675 3.087 1.00 60.34 H new ATOM 0 HB THR A 95 -4.905 11.218 2.355 1.00 63.44 H new ATOM 0 HG1 THR A 95 -7.402 10.782 3.755 1.00 3.15 H new ATOM 0 HG21 THR A 95 -6.852 11.669 0.875 1.00 42.54 H new ATOM 0 HG22 THR A 95 -6.005 10.171 0.422 1.00 42.54 H new ATOM 0 HG23 THR A 95 -7.542 10.089 1.315 1.00 42.54 H new ATOM 1418 N VAL A 96 -4.953 7.572 1.327 1.00 74.24 N ATOM 1419 CA VAL A 96 -4.155 6.763 0.386 1.00 3.21 C ATOM 1420 C VAL A 96 -4.760 6.905 -1.031 1.00 15.22 C ATOM 1421 O VAL A 96 -5.974 6.881 -1.205 1.00 50.13 O ATOM 1422 CB VAL A 96 -4.076 5.243 0.821 1.00 61.53 C ATOM 1423 CG1 VAL A 96 -3.261 5.076 2.134 1.00 52.13 C ATOM 1424 CG2 VAL A 96 -5.489 4.609 0.957 1.00 63.23 C ATOM 0 H VAL A 96 -5.932 7.290 1.364 1.00 74.24 H new ATOM 0 HA VAL A 96 -3.130 7.135 0.390 1.00 3.21 H new ATOM 0 HB VAL A 96 -3.553 4.707 0.029 1.00 61.53 H new ATOM 0 HG11 VAL A 96 -3.224 4.022 2.408 1.00 52.13 H new ATOM 0 HG12 VAL A 96 -2.247 5.447 1.983 1.00 52.13 H new ATOM 0 HG13 VAL A 96 -3.739 5.642 2.934 1.00 52.13 H new ATOM 0 HG21 VAL A 96 -5.392 3.566 1.257 1.00 63.23 H new ATOM 0 HG22 VAL A 96 -6.060 5.152 1.710 1.00 63.23 H new ATOM 0 HG23 VAL A 96 -6.007 4.665 -0.001 1.00 63.23 H new ATOM 1434 N TYR A 97 -3.905 7.094 -2.037 1.00 1.42 N ATOM 1435 CA TYR A 97 -4.333 7.420 -3.411 1.00 2.23 C ATOM 1436 C TYR A 97 -4.103 6.260 -4.397 1.00 43.41 C ATOM 1437 O TYR A 97 -3.297 5.351 -4.166 1.00 40.43 O ATOM 1438 CB TYR A 97 -3.587 8.694 -3.896 1.00 73.30 C ATOM 1439 CG TYR A 97 -3.855 9.927 -3.014 1.00 11.32 C ATOM 1440 CD1 TYR A 97 -3.104 10.165 -1.860 1.00 72.10 C ATOM 1441 CD2 TYR A 97 -4.882 10.829 -3.312 1.00 62.53 C ATOM 1442 CE1 TYR A 97 -3.369 11.242 -1.046 1.00 0.13 C ATOM 1443 CE2 TYR A 97 -5.141 11.916 -2.495 1.00 74.33 C ATOM 1444 CZ TYR A 97 -4.380 12.116 -1.364 1.00 2.23 C ATOM 1445 OH TYR A 97 -4.639 13.191 -0.540 1.00 41.22 O ATOM 0 H TYR A 97 -2.893 7.027 -1.929 1.00 1.42 H new ATOM 0 HA TYR A 97 -5.408 7.601 -3.386 1.00 2.23 H new ATOM 0 HB2 TYR A 97 -2.516 8.495 -3.915 1.00 73.30 H new ATOM 0 HB3 TYR A 97 -3.888 8.916 -4.920 1.00 73.30 H new ATOM 0 HD1 TYR A 97 -2.301 9.491 -1.602 1.00 72.10 H new ATOM 0 HD2 TYR A 97 -5.484 10.674 -4.195 1.00 62.53 H new ATOM 0 HE1 TYR A 97 -2.781 11.401 -0.154 1.00 0.13 H new ATOM 0 HE2 TYR A 97 -5.936 12.604 -2.743 1.00 74.33 H new ATOM 0 HH TYR A 97 -3.810 13.472 -0.099 1.00 41.22 H new ATOM 1455 N MET A 98 -4.873 6.308 -5.480 1.00 10.51 N ATOM 1456 CA MET A 98 -4.657 5.513 -6.689 1.00 40.41 C ATOM 1457 C MET A 98 -3.969 6.420 -7.730 1.00 73.42 C ATOM 1458 O MET A 98 -4.527 7.453 -8.107 1.00 73.41 O ATOM 1459 CB MET A 98 -6.026 4.987 -7.202 1.00 12.43 C ATOM 1460 CG MET A 98 -5.986 4.305 -8.573 1.00 15.54 C ATOM 1461 SD MET A 98 -7.550 3.520 -9.045 1.00 72.14 S ATOM 1462 CE MET A 98 -8.732 4.848 -8.840 1.00 1.31 C ATOM 0 H MET A 98 -5.688 6.918 -5.545 1.00 10.51 H new ATOM 0 HA MET A 98 -4.022 4.649 -6.494 1.00 40.41 H new ATOM 0 HB2 MET A 98 -6.423 4.280 -6.473 1.00 12.43 H new ATOM 0 HB3 MET A 98 -6.725 5.822 -7.249 1.00 12.43 H new ATOM 0 HG2 MET A 98 -5.719 5.044 -9.328 1.00 15.54 H new ATOM 0 HG3 MET A 98 -5.198 3.552 -8.571 1.00 15.54 H new ATOM 0 HE1 MET A 98 -9.586 4.680 -9.496 1.00 1.31 H new ATOM 0 HE2 MET A 98 -9.070 4.877 -7.804 1.00 1.31 H new ATOM 0 HE3 MET A 98 -8.261 5.797 -9.095 1.00 1.31 H new ATOM 1472 N VAL A 99 -2.736 6.067 -8.145 1.00 12.15 N ATOM 1473 CA VAL A 99 -1.946 6.878 -9.108 1.00 52.45 C ATOM 1474 C VAL A 99 -1.499 6.044 -10.328 1.00 51.53 C ATOM 1475 O VAL A 99 -1.276 4.830 -10.232 1.00 22.45 O ATOM 1476 CB VAL A 99 -0.676 7.551 -8.437 1.00 43.22 C ATOM 1477 CG1 VAL A 99 -1.089 8.553 -7.325 1.00 71.33 C ATOM 1478 CG2 VAL A 99 0.330 6.484 -7.904 1.00 43.22 C ATOM 0 H VAL A 99 -2.259 5.222 -7.829 1.00 12.15 H new ATOM 0 HA VAL A 99 -2.615 7.670 -9.444 1.00 52.45 H new ATOM 0 HB VAL A 99 -0.160 8.117 -9.213 1.00 43.22 H new ATOM 0 HG11 VAL A 99 -0.196 8.997 -6.885 1.00 71.33 H new ATOM 0 HG12 VAL A 99 -1.710 9.338 -7.755 1.00 71.33 H new ATOM 0 HG13 VAL A 99 -1.651 8.028 -6.553 1.00 71.33 H new ATOM 0 HG21 VAL A 99 1.186 6.985 -7.452 1.00 43.22 H new ATOM 0 HG22 VAL A 99 -0.162 5.861 -7.157 1.00 43.22 H new ATOM 0 HG23 VAL A 99 0.670 5.860 -8.730 1.00 43.22 H new ATOM 1488 N ASP A 100 -1.398 6.720 -11.482 1.00 13.55 N ATOM 1489 CA ASP A 100 -0.819 6.159 -12.717 1.00 3.41 C ATOM 1490 C ASP A 100 0.553 6.819 -12.951 1.00 63.32 C ATOM 1491 O ASP A 100 0.623 8.033 -13.178 1.00 31.35 O ATOM 1492 CB ASP A 100 -1.764 6.434 -13.926 1.00 25.51 C ATOM 1493 CG ASP A 100 -3.121 5.708 -13.863 1.00 14.31 C ATOM 1494 OD1 ASP A 100 -3.655 5.475 -12.761 1.00 1.44 O ATOM 1495 OD2 ASP A 100 -3.680 5.395 -14.923 1.00 34.43 O ATOM 0 H ASP A 100 -1.719 7.682 -11.588 1.00 13.55 H new ATOM 0 HA ASP A 100 -0.701 5.080 -12.618 1.00 3.41 H new ATOM 0 HB2 ASP A 100 -1.945 7.507 -13.991 1.00 25.51 H new ATOM 0 HB3 ASP A 100 -1.253 6.140 -14.843 1.00 25.51 H new ATOM 1500 N TYR A 101 1.635 6.024 -12.908 1.00 75.43 N ATOM 1501 CA TYR A 101 3.019 6.548 -13.009 1.00 21.21 C ATOM 1502 C TYR A 101 3.824 5.838 -14.109 1.00 53.14 C ATOM 1503 O TYR A 101 3.393 4.823 -14.667 1.00 4.42 O ATOM 1504 CB TYR A 101 3.750 6.428 -11.633 1.00 10.11 C ATOM 1505 CG TYR A 101 4.016 4.989 -11.141 1.00 24.03 C ATOM 1506 CD1 TYR A 101 3.055 4.276 -10.418 1.00 51.15 C ATOM 1507 CD2 TYR A 101 5.229 4.340 -11.404 1.00 15.11 C ATOM 1508 CE1 TYR A 101 3.297 2.989 -9.988 1.00 61.45 C ATOM 1509 CE2 TYR A 101 5.468 3.052 -10.971 1.00 74.51 C ATOM 1510 CZ TYR A 101 4.498 2.379 -10.266 1.00 31.51 C ATOM 1511 OH TYR A 101 4.721 1.088 -9.835 1.00 52.25 O ATOM 0 H TYR A 101 1.583 5.011 -12.804 1.00 75.43 H new ATOM 0 HA TYR A 101 2.950 7.601 -13.284 1.00 21.21 H new ATOM 0 HB2 TYR A 101 4.704 6.951 -11.702 1.00 10.11 H new ATOM 0 HB3 TYR A 101 3.156 6.946 -10.880 1.00 10.11 H new ATOM 0 HD1 TYR A 101 2.107 4.742 -10.193 1.00 51.15 H new ATOM 0 HD2 TYR A 101 5.996 4.860 -11.959 1.00 15.11 H new ATOM 0 HE1 TYR A 101 2.540 2.457 -9.430 1.00 61.45 H new ATOM 0 HE2 TYR A 101 6.413 2.574 -11.185 1.00 74.51 H new ATOM 0 HH TYR A 101 4.749 1.070 -8.856 1.00 52.25 H new ATOM 1521 N THR A 102 5.010 6.391 -14.395 1.00 23.52 N ATOM 1522 CA THR A 102 6.024 5.751 -15.248 1.00 51.42 C ATOM 1523 C THR A 102 7.238 5.369 -14.385 1.00 33.55 C ATOM 1524 O THR A 102 7.928 6.262 -13.883 1.00 62.04 O ATOM 1525 CB THR A 102 6.498 6.702 -16.401 1.00 31.14 C ATOM 1526 OG1 THR A 102 5.366 7.169 -17.156 1.00 75.40 O ATOM 1527 CG2 THR A 102 7.505 5.996 -17.344 1.00 3.43 C ATOM 0 H THR A 102 5.296 7.303 -14.039 1.00 23.52 H new ATOM 0 HA THR A 102 5.575 4.867 -15.700 1.00 51.42 H new ATOM 0 HB THR A 102 7.004 7.552 -15.943 1.00 31.14 H new ATOM 0 HG1 THR A 102 5.612 7.982 -17.645 1.00 75.40 H new ATOM 0 HG21 THR A 102 7.812 6.685 -18.131 1.00 3.43 H new ATOM 0 HG22 THR A 102 8.380 5.684 -16.774 1.00 3.43 H new ATOM 0 HG23 THR A 102 7.033 5.122 -17.792 1.00 3.43 H new ATOM 1535 N SER A 103 7.464 4.050 -14.185 1.00 45.41 N ATOM 1536 CA SER A 103 8.686 3.523 -13.526 1.00 20.32 C ATOM 1537 C SER A 103 9.933 4.011 -14.301 1.00 24.14 C ATOM 1538 O SER A 103 10.292 3.431 -15.315 1.00 20.14 O ATOM 1539 CB SER A 103 8.667 1.965 -13.473 1.00 3.30 C ATOM 1540 OG SER A 103 7.508 1.468 -12.827 1.00 33.22 O ATOM 0 H SER A 103 6.809 3.323 -14.473 1.00 45.41 H new ATOM 0 HA SER A 103 8.719 3.893 -12.501 1.00 20.32 H new ATOM 0 HB2 SER A 103 8.715 1.568 -14.487 1.00 3.30 H new ATOM 0 HB3 SER A 103 9.554 1.610 -12.949 1.00 3.30 H new ATOM 0 HG SER A 103 7.534 0.488 -12.816 1.00 33.22 H new ATOM 1546 N THR A 104 10.545 5.107 -13.813 1.00 74.13 N ATOM 1547 CA THR A 104 11.565 5.900 -14.556 1.00 40.12 C ATOM 1548 C THR A 104 12.789 5.075 -15.021 1.00 65.00 C ATOM 1549 O THR A 104 13.202 5.170 -16.182 1.00 22.11 O ATOM 1550 CB THR A 104 12.049 7.115 -13.693 1.00 62.40 C ATOM 1551 OG1 THR A 104 12.545 6.638 -12.424 1.00 42.10 O ATOM 1552 CG2 THR A 104 10.914 8.136 -13.468 1.00 51.51 C ATOM 0 H THR A 104 10.349 5.477 -12.883 1.00 74.13 H new ATOM 0 HA THR A 104 11.064 6.249 -15.459 1.00 40.12 H new ATOM 0 HB THR A 104 12.848 7.622 -14.234 1.00 62.40 H new ATOM 0 HG1 THR A 104 12.849 7.398 -11.885 1.00 42.10 H new ATOM 0 HG21 THR A 104 11.285 8.965 -12.866 1.00 51.51 H new ATOM 0 HG22 THR A 104 10.567 8.513 -14.430 1.00 51.51 H new ATOM 0 HG23 THR A 104 10.087 7.652 -12.949 1.00 51.51 H new ATOM 1560 N THR A 105 13.351 4.266 -14.111 1.00 12.41 N ATOM 1561 CA THR A 105 14.547 3.426 -14.402 1.00 13.21 C ATOM 1562 C THR A 105 14.213 2.219 -15.322 1.00 3.54 C ATOM 1563 O THR A 105 15.044 1.799 -16.131 1.00 74.53 O ATOM 1564 CB THR A 105 15.234 2.924 -13.080 1.00 3.33 C ATOM 1565 OG1 THR A 105 16.372 2.087 -13.378 1.00 31.51 O ATOM 1566 CG2 THR A 105 14.263 2.148 -12.169 1.00 45.24 C ATOM 0 H THR A 105 13.001 4.168 -13.158 1.00 12.41 H new ATOM 0 HA THR A 105 15.247 4.068 -14.937 1.00 13.21 H new ATOM 0 HB THR A 105 15.560 3.817 -12.547 1.00 3.33 H new ATOM 0 HG1 THR A 105 16.785 1.787 -12.542 1.00 31.51 H new ATOM 0 HG21 THR A 105 14.788 1.824 -11.270 1.00 45.24 H new ATOM 0 HG22 THR A 105 13.431 2.794 -11.890 1.00 45.24 H new ATOM 0 HG23 THR A 105 13.883 1.276 -12.701 1.00 45.24 H new ATOM 1574 N SER A 106 12.982 1.683 -15.198 1.00 15.13 N ATOM 1575 CA SER A 106 12.525 0.479 -15.957 1.00 54.14 C ATOM 1576 C SER A 106 11.934 0.848 -17.345 1.00 21.54 C ATOM 1577 O SER A 106 11.941 0.031 -18.273 1.00 64.24 O ATOM 1578 CB SER A 106 11.454 -0.292 -15.136 1.00 22.15 C ATOM 1579 OG SER A 106 11.921 -0.620 -13.835 1.00 42.12 O ATOM 0 H SER A 106 12.271 2.064 -14.573 1.00 15.13 H new ATOM 0 HA SER A 106 13.401 -0.148 -16.120 1.00 54.14 H new ATOM 0 HB2 SER A 106 10.552 0.314 -15.056 1.00 22.15 H new ATOM 0 HB3 SER A 106 11.179 -1.205 -15.664 1.00 22.15 H new ATOM 0 HG SER A 106 11.221 -1.102 -13.348 1.00 42.12 H new ATOM 1585 N GLY A 107 11.399 2.082 -17.451 1.00 14.01 N ATOM 1586 CA GLY A 107 10.653 2.545 -18.635 1.00 73.23 C ATOM 1587 C GLY A 107 9.153 2.174 -18.627 1.00 40.53 C ATOM 1588 O GLY A 107 8.354 2.823 -19.303 1.00 51.52 O ATOM 0 H GLY A 107 11.473 2.785 -16.716 1.00 14.01 H new ATOM 0 HA2 GLY A 107 10.747 3.628 -18.708 1.00 73.23 H new ATOM 0 HA3 GLY A 107 11.115 2.124 -19.528 1.00 73.23 H new ATOM 1592 N GLU A 108 8.776 1.131 -17.853 1.00 31.15 N ATOM 1593 CA GLU A 108 7.392 0.592 -17.816 1.00 42.21 C ATOM 1594 C GLU A 108 6.410 1.556 -17.104 1.00 2.41 C ATOM 1595 O GLU A 108 6.721 2.105 -16.056 1.00 51.22 O ATOM 1596 CB GLU A 108 7.374 -0.791 -17.098 1.00 41.04 C ATOM 1597 CG GLU A 108 5.968 -1.429 -16.975 1.00 0.21 C ATOM 1598 CD GLU A 108 5.960 -2.774 -16.231 1.00 52.44 C ATOM 1599 OE1 GLU A 108 5.889 -2.779 -14.983 1.00 13.32 O ATOM 1600 OE2 GLU A 108 6.022 -3.832 -16.896 1.00 40.45 O ATOM 0 H GLU A 108 9.421 0.637 -17.236 1.00 31.15 H new ATOM 0 HA GLU A 108 7.062 0.480 -18.849 1.00 42.21 H new ATOM 0 HB2 GLU A 108 8.025 -1.477 -17.640 1.00 41.04 H new ATOM 0 HB3 GLU A 108 7.795 -0.674 -16.100 1.00 41.04 H new ATOM 0 HG2 GLU A 108 5.308 -0.734 -16.457 1.00 0.21 H new ATOM 0 HG3 GLU A 108 5.557 -1.574 -17.974 1.00 0.21 H new ATOM 1607 N LYS A 109 5.214 1.734 -17.688 1.00 51.44 N ATOM 1608 CA LYS A 109 4.122 2.528 -17.090 1.00 13.10 C ATOM 1609 C LYS A 109 3.103 1.607 -16.380 1.00 14.32 C ATOM 1610 O LYS A 109 2.646 0.608 -16.949 1.00 54.10 O ATOM 1611 CB LYS A 109 3.436 3.388 -18.188 1.00 1.10 C ATOM 1612 CG LYS A 109 4.396 4.406 -18.831 1.00 71.53 C ATOM 1613 CD LYS A 109 3.741 5.286 -19.912 1.00 34.03 C ATOM 1614 CE LYS A 109 4.726 6.340 -20.450 1.00 53.43 C ATOM 1615 NZ LYS A 109 4.135 7.177 -21.523 1.00 54.54 N ATOM 0 H LYS A 109 4.974 1.330 -18.593 1.00 51.44 H new ATOM 0 HA LYS A 109 4.538 3.197 -16.337 1.00 13.10 H new ATOM 0 HB2 LYS A 109 3.037 2.732 -18.962 1.00 1.10 H new ATOM 0 HB3 LYS A 109 2.589 3.918 -17.752 1.00 1.10 H new ATOM 0 HG2 LYS A 109 4.803 5.049 -18.051 1.00 71.53 H new ATOM 0 HG3 LYS A 109 5.236 3.870 -19.273 1.00 71.53 H new ATOM 0 HD2 LYS A 109 3.393 4.659 -20.733 1.00 34.03 H new ATOM 0 HD3 LYS A 109 2.864 5.783 -19.497 1.00 34.03 H new ATOM 0 HE2 LYS A 109 5.050 6.982 -19.630 1.00 53.43 H new ATOM 0 HE3 LYS A 109 5.615 5.839 -20.833 1.00 53.43 H new ATOM 0 HZ1 LYS A 109 4.838 7.870 -21.850 1.00 54.54 H new ATOM 0 HZ2 LYS A 109 3.850 6.571 -22.319 1.00 54.54 H new ATOM 0 HZ3 LYS A 109 3.302 7.678 -21.153 1.00 54.54 H new ATOM 1629 N VAL A 110 2.754 1.970 -15.137 1.00 21.20 N ATOM 1630 CA VAL A 110 1.822 1.208 -14.275 1.00 21.31 C ATOM 1631 C VAL A 110 0.556 2.055 -14.018 1.00 53.24 C ATOM 1632 O VAL A 110 0.656 3.213 -13.598 1.00 44.40 O ATOM 1633 CB VAL A 110 2.503 0.824 -12.905 1.00 22.13 C ATOM 1634 CG1 VAL A 110 1.526 0.073 -11.953 1.00 52.21 C ATOM 1635 CG2 VAL A 110 3.810 0.011 -13.133 1.00 41.43 C ATOM 0 H VAL A 110 3.114 2.813 -14.690 1.00 21.20 H new ATOM 0 HA VAL A 110 1.550 0.284 -14.785 1.00 21.31 H new ATOM 0 HB VAL A 110 2.772 1.757 -12.410 1.00 22.13 H new ATOM 0 HG11 VAL A 110 2.040 -0.171 -11.023 1.00 52.21 H new ATOM 0 HG12 VAL A 110 0.667 0.709 -11.738 1.00 52.21 H new ATOM 0 HG13 VAL A 110 1.186 -0.846 -12.431 1.00 52.21 H new ATOM 0 HG21 VAL A 110 4.256 -0.239 -12.170 1.00 41.43 H new ATOM 0 HG22 VAL A 110 3.578 -0.906 -13.674 1.00 41.43 H new ATOM 0 HG23 VAL A 110 4.513 0.608 -13.715 1.00 41.43 H new ATOM 1645 N LYS A 111 -0.633 1.468 -14.269 1.00 32.53 N ATOM 1646 CA LYS A 111 -1.927 2.164 -14.099 1.00 50.12 C ATOM 1647 C LYS A 111 -2.679 1.642 -12.858 1.00 12.04 C ATOM 1648 O LYS A 111 -2.634 0.445 -12.548 1.00 1.20 O ATOM 1649 CB LYS A 111 -2.819 2.022 -15.366 1.00 50.40 C ATOM 1650 CG LYS A 111 -2.223 2.661 -16.643 1.00 32.33 C ATOM 1651 CD LYS A 111 -3.225 2.727 -17.828 1.00 72.04 C ATOM 1652 CE LYS A 111 -4.447 3.628 -17.536 1.00 61.43 C ATOM 1653 NZ LYS A 111 -5.293 3.855 -18.733 1.00 20.32 N ATOM 0 H LYS A 111 -0.724 0.505 -14.593 1.00 32.53 H new ATOM 0 HA LYS A 111 -1.708 3.222 -13.953 1.00 50.12 H new ATOM 0 HB2 LYS A 111 -2.997 0.963 -15.553 1.00 50.40 H new ATOM 0 HB3 LYS A 111 -3.789 2.477 -15.165 1.00 50.40 H new ATOM 0 HG2 LYS A 111 -1.881 3.669 -16.410 1.00 32.33 H new ATOM 0 HG3 LYS A 111 -1.346 2.091 -16.950 1.00 32.33 H new ATOM 0 HD2 LYS A 111 -2.709 3.100 -18.713 1.00 72.04 H new ATOM 0 HD3 LYS A 111 -3.570 1.720 -18.061 1.00 72.04 H new ATOM 0 HE2 LYS A 111 -5.050 3.171 -16.752 1.00 61.43 H new ATOM 0 HE3 LYS A 111 -4.101 4.588 -17.154 1.00 61.43 H new ATOM 0 HZ1 LYS A 111 -6.096 4.465 -18.480 1.00 20.32 H new ATOM 0 HZ2 LYS A 111 -4.728 4.316 -19.475 1.00 20.32 H new ATOM 0 HZ3 LYS A 111 -5.648 2.943 -19.085 1.00 20.32 H new ATOM 1667 N ASN A 112 -3.365 2.579 -12.176 1.00 11.23 N ATOM 1668 CA ASN A 112 -4.235 2.320 -11.009 1.00 22.21 C ATOM 1669 C ASN A 112 -3.496 1.649 -9.828 1.00 41.51 C ATOM 1670 O ASN A 112 -4.055 0.798 -9.120 1.00 24.52 O ATOM 1671 CB ASN A 112 -5.495 1.515 -11.448 1.00 34.30 C ATOM 1672 CG ASN A 112 -6.297 2.197 -12.569 1.00 23.20 C ATOM 1673 OD1 ASN A 112 -6.909 1.532 -13.399 1.00 63.54 O ATOM 1674 ND2 ASN A 112 -6.323 3.522 -12.606 1.00 73.52 N ATOM 0 H ASN A 112 -3.329 3.567 -12.428 1.00 11.23 H new ATOM 0 HA ASN A 112 -4.557 3.288 -10.625 1.00 22.21 H new ATOM 0 HB2 ASN A 112 -5.186 0.525 -11.784 1.00 34.30 H new ATOM 0 HB3 ASN A 112 -6.144 1.370 -10.584 1.00 34.30 H new ATOM 0 HD21 ASN A 112 -6.857 4.002 -13.331 1.00 73.52 H new ATOM 0 HD22 ASN A 112 -5.809 4.062 -11.909 1.00 73.52 H new ATOM 1681 N HIS A 113 -2.249 2.094 -9.594 1.00 55.12 N ATOM 1682 CA HIS A 113 -1.375 1.520 -8.554 1.00 1.34 C ATOM 1683 C HIS A 113 -1.885 1.849 -7.132 1.00 2.21 C ATOM 1684 O HIS A 113 -2.223 3.002 -6.821 1.00 30.12 O ATOM 1685 CB HIS A 113 0.078 2.006 -8.728 1.00 31.02 C ATOM 1686 CG HIS A 113 1.065 1.301 -7.820 1.00 52.04 C ATOM 1687 ND1 HIS A 113 1.718 0.160 -8.228 1.00 73.30 N ATOM 1688 CD2 HIS A 113 1.449 1.591 -6.552 1.00 43.11 C ATOM 1689 CE1 HIS A 113 2.467 -0.214 -7.209 1.00 3.05 C ATOM 1690 NE2 HIS A 113 2.336 0.622 -6.175 1.00 64.11 N ATOM 0 H HIS A 113 -1.820 2.857 -10.117 1.00 55.12 H new ATOM 0 HA HIS A 113 -1.398 0.437 -8.674 1.00 1.34 H new ATOM 0 HB2 HIS A 113 0.380 1.858 -9.765 1.00 31.02 H new ATOM 0 HB3 HIS A 113 0.120 3.078 -8.534 1.00 31.02 H new ATOM 0 HD1 HIS A 113 1.639 -0.302 -9.134 1.00 73.30 H new ATOM 0 HD2 HIS A 113 1.117 2.427 -5.955 1.00 43.11 H new ATOM 0 HE1 HIS A 113 3.105 -1.085 -7.210 1.00 3.05 H new ATOM 1698 N LYS A 114 -1.910 0.810 -6.280 1.00 52.31 N ATOM 1699 CA LYS A 114 -2.453 0.865 -4.905 1.00 43.34 C ATOM 1700 C LYS A 114 -1.582 -0.002 -3.937 1.00 63.43 C ATOM 1701 O LYS A 114 -1.056 -1.032 -4.359 1.00 33.24 O ATOM 1702 CB LYS A 114 -3.920 0.337 -4.912 1.00 53.10 C ATOM 1703 CG LYS A 114 -4.936 1.207 -5.694 1.00 13.12 C ATOM 1704 CD LYS A 114 -6.323 0.534 -5.814 1.00 73.43 C ATOM 1705 CE LYS A 114 -7.368 1.455 -6.461 1.00 4.10 C ATOM 1706 NZ LYS A 114 -8.701 0.815 -6.591 1.00 55.13 N ATOM 0 H LYS A 114 -1.547 -0.110 -6.529 1.00 52.31 H new ATOM 0 HA LYS A 114 -2.434 1.897 -4.555 1.00 43.34 H new ATOM 0 HB2 LYS A 114 -3.925 -0.667 -5.336 1.00 53.10 H new ATOM 0 HB3 LYS A 114 -4.261 0.249 -3.881 1.00 53.10 H new ATOM 0 HG2 LYS A 114 -5.045 2.170 -5.195 1.00 13.12 H new ATOM 0 HG3 LYS A 114 -4.546 1.408 -6.692 1.00 13.12 H new ATOM 0 HD2 LYS A 114 -6.231 -0.378 -6.404 1.00 73.43 H new ATOM 0 HD3 LYS A 114 -6.667 0.239 -4.823 1.00 73.43 H new ATOM 0 HE2 LYS A 114 -7.463 2.363 -5.865 1.00 4.10 H new ATOM 0 HE3 LYS A 114 -7.018 1.757 -7.448 1.00 4.10 H new ATOM 0 HZ1 LYS A 114 -9.444 1.518 -6.401 1.00 55.13 H new ATOM 0 HZ2 LYS A 114 -8.815 0.443 -7.555 1.00 55.13 H new ATOM 0 HZ3 LYS A 114 -8.780 0.035 -5.908 1.00 55.13 H new ATOM 1720 N TRP A 115 -1.405 0.385 -2.646 1.00 3.12 N ATOM 1721 CA TRP A 115 -1.816 1.694 -2.067 1.00 20.45 C ATOM 1722 C TRP A 115 -0.582 2.594 -1.805 1.00 51.52 C ATOM 1723 O TRP A 115 0.346 2.192 -1.096 1.00 3.43 O ATOM 1724 CB TRP A 115 -2.613 1.479 -0.737 1.00 73.11 C ATOM 1725 CG TRP A 115 -3.852 0.629 -0.910 1.00 31.44 C ATOM 1726 CD1 TRP A 115 -4.009 -0.690 -0.574 1.00 32.11 C ATOM 1727 CD2 TRP A 115 -5.099 1.040 -1.488 1.00 51.22 C ATOM 1728 NE1 TRP A 115 -5.261 -1.117 -0.918 1.00 62.41 N ATOM 1729 CE2 TRP A 115 -5.950 -0.079 -1.478 1.00 62.53 C ATOM 1730 CE3 TRP A 115 -5.579 2.245 -2.010 1.00 12.34 C ATOM 1731 CZ2 TRP A 115 -7.245 -0.037 -1.985 1.00 54.13 C ATOM 1732 CZ3 TRP A 115 -6.867 2.286 -2.503 1.00 63.32 C ATOM 1733 CH2 TRP A 115 -7.690 1.154 -2.485 1.00 43.11 C ATOM 0 H TRP A 115 -0.959 -0.223 -1.958 1.00 3.12 H new ATOM 0 HA TRP A 115 -2.462 2.193 -2.789 1.00 20.45 H new ATOM 0 HB2 TRP A 115 -1.959 1.010 -0.002 1.00 73.11 H new ATOM 0 HB3 TRP A 115 -2.901 2.450 -0.334 1.00 73.11 H new ATOM 0 HD1 TRP A 115 -3.253 -1.303 -0.105 1.00 32.11 H new ATOM 0 HE1 TRP A 115 -5.623 -2.060 -0.779 1.00 62.41 H new ATOM 0 HE3 TRP A 115 -4.954 3.126 -2.027 1.00 12.34 H new ATOM 0 HZ2 TRP A 115 -7.875 -0.914 -1.983 1.00 54.13 H new ATOM 0 HZ3 TRP A 115 -7.248 3.210 -2.911 1.00 63.32 H new ATOM 0 HH2 TRP A 115 -8.695 1.223 -2.874 1.00 43.11 H new ATOM 1744 N VAL A 116 -0.577 3.792 -2.415 1.00 21.11 N ATOM 1745 CA VAL A 116 0.411 4.857 -2.109 1.00 1.33 C ATOM 1746 C VAL A 116 -0.229 5.883 -1.150 1.00 23.31 C ATOM 1747 O VAL A 116 -1.443 6.023 -1.124 1.00 70.23 O ATOM 1748 CB VAL A 116 0.939 5.586 -3.407 1.00 71.11 C ATOM 1749 CG1 VAL A 116 1.704 4.602 -4.331 1.00 32.33 C ATOM 1750 CG2 VAL A 116 -0.204 6.303 -4.173 1.00 62.20 C ATOM 0 H VAL A 116 -1.253 4.055 -3.132 1.00 21.11 H new ATOM 0 HA VAL A 116 1.273 4.384 -1.639 1.00 1.33 H new ATOM 0 HB VAL A 116 1.640 6.355 -3.082 1.00 71.11 H new ATOM 0 HG11 VAL A 116 2.055 5.132 -5.216 1.00 32.33 H new ATOM 0 HG12 VAL A 116 2.557 4.187 -3.794 1.00 32.33 H new ATOM 0 HG13 VAL A 116 1.038 3.794 -4.633 1.00 32.33 H new ATOM 0 HG21 VAL A 116 0.202 6.791 -5.059 1.00 62.20 H new ATOM 0 HG22 VAL A 116 -0.955 5.572 -4.474 1.00 62.20 H new ATOM 0 HG23 VAL A 116 -0.663 7.050 -3.525 1.00 62.20 H new ATOM 1760 N THR A 117 0.583 6.595 -0.368 1.00 65.22 N ATOM 1761 CA THR A 117 0.082 7.545 0.664 1.00 22.52 C ATOM 1762 C THR A 117 0.453 9.003 0.298 1.00 62.02 C ATOM 1763 O THR A 117 1.374 9.221 -0.488 1.00 63.21 O ATOM 1764 CB THR A 117 0.661 7.140 2.062 1.00 21.52 C ATOM 1765 OG1 THR A 117 0.367 5.762 2.299 1.00 62.43 O ATOM 1766 CG2 THR A 117 0.086 7.959 3.227 1.00 54.20 C ATOM 0 H THR A 117 1.600 6.541 -0.420 1.00 65.22 H new ATOM 0 HA THR A 117 -1.006 7.493 0.706 1.00 22.52 H new ATOM 0 HB THR A 117 1.733 7.335 2.026 1.00 21.52 H new ATOM 0 HG1 THR A 117 1.118 5.343 2.768 1.00 62.43 H new ATOM 0 HG21 THR A 117 0.533 7.623 4.163 1.00 54.20 H new ATOM 0 HG22 THR A 117 0.311 9.015 3.076 1.00 54.20 H new ATOM 0 HG23 THR A 117 -0.994 7.821 3.270 1.00 54.20 H new ATOM 1774 N GLU A 118 -0.284 10.003 0.852 1.00 53.14 N ATOM 1775 CA GLU A 118 0.038 11.450 0.663 1.00 42.04 C ATOM 1776 C GLU A 118 1.459 11.794 1.185 1.00 4.51 C ATOM 1777 O GLU A 118 2.167 12.624 0.610 1.00 53.02 O ATOM 1778 CB GLU A 118 -1.011 12.341 1.381 1.00 14.22 C ATOM 1779 CG GLU A 118 -0.846 13.863 1.129 1.00 33.53 C ATOM 1780 CD GLU A 118 -1.949 14.755 1.730 1.00 2.53 C ATOM 1781 OE1 GLU A 118 -2.618 14.347 2.710 1.00 21.51 O ATOM 1782 OE2 GLU A 118 -2.125 15.896 1.249 1.00 74.21 O ATOM 0 H GLU A 118 -1.105 9.837 1.433 1.00 53.14 H new ATOM 0 HA GLU A 118 0.010 11.650 -0.408 1.00 42.04 H new ATOM 0 HB2 GLU A 118 -2.007 12.038 1.058 1.00 14.22 H new ATOM 0 HB3 GLU A 118 -0.953 12.155 2.453 1.00 14.22 H new ATOM 0 HG2 GLU A 118 0.115 14.179 1.535 1.00 33.53 H new ATOM 0 HG3 GLU A 118 -0.810 14.034 0.053 1.00 33.53 H new ATOM 1789 N ASP A 119 1.844 11.126 2.285 1.00 23.11 N ATOM 1790 CA ASP A 119 3.224 11.136 2.847 1.00 11.11 C ATOM 1791 C ASP A 119 4.299 10.771 1.774 1.00 72.22 C ATOM 1792 O ASP A 119 5.423 11.292 1.781 1.00 1.43 O ATOM 1793 CB ASP A 119 3.261 10.126 4.027 1.00 72.14 C ATOM 1794 CG ASP A 119 4.654 9.919 4.645 1.00 31.33 C ATOM 1795 OD1 ASP A 119 5.157 10.845 5.317 1.00 13.40 O ATOM 1796 OD2 ASP A 119 5.255 8.830 4.455 1.00 1.12 O ATOM 0 H ASP A 119 1.199 10.550 2.826 1.00 23.11 H new ATOM 0 HA ASP A 119 3.466 12.142 3.191 1.00 11.11 H new ATOM 0 HB2 ASP A 119 2.580 10.470 4.805 1.00 72.14 H new ATOM 0 HB3 ASP A 119 2.886 9.164 3.677 1.00 72.14 H new ATOM 1801 N GLU A 120 3.903 9.897 0.841 1.00 65.33 N ATOM 1802 CA GLU A 120 4.776 9.342 -0.210 1.00 14.43 C ATOM 1803 C GLU A 120 4.563 10.031 -1.584 1.00 34.23 C ATOM 1804 O GLU A 120 5.125 9.590 -2.591 1.00 34.43 O ATOM 1805 CB GLU A 120 4.482 7.833 -0.334 1.00 52.50 C ATOM 1806 CG GLU A 120 4.595 7.053 0.983 1.00 13.43 C ATOM 1807 CD GLU A 120 4.348 5.553 0.812 1.00 31.24 C ATOM 1808 OE1 GLU A 120 3.287 5.186 0.256 1.00 3.33 O ATOM 1809 OE2 GLU A 120 5.181 4.737 1.279 1.00 11.52 O ATOM 0 H GLU A 120 2.947 9.546 0.791 1.00 65.33 H new ATOM 0 HA GLU A 120 5.813 9.520 0.075 1.00 14.43 H new ATOM 0 HB2 GLU A 120 3.476 7.703 -0.733 1.00 52.50 H new ATOM 0 HB3 GLU A 120 5.171 7.400 -1.059 1.00 52.50 H new ATOM 0 HG2 GLU A 120 5.588 7.206 1.406 1.00 13.43 H new ATOM 0 HG3 GLU A 120 3.878 7.454 1.699 1.00 13.43 H new ATOM 1816 N LEU A 121 3.756 11.108 -1.623 1.00 41.12 N ATOM 1817 CA LEU A 121 3.473 11.878 -2.863 1.00 41.44 C ATOM 1818 C LEU A 121 3.799 13.378 -2.667 1.00 31.04 C ATOM 1819 O LEU A 121 3.863 13.870 -1.535 1.00 32.32 O ATOM 1820 CB LEU A 121 1.980 11.705 -3.284 1.00 54.14 C ATOM 1821 CG LEU A 121 1.521 10.251 -3.648 1.00 74.23 C ATOM 1822 CD1 LEU A 121 0.008 10.205 -3.956 1.00 72.31 C ATOM 1823 CD2 LEU A 121 2.352 9.664 -4.818 1.00 42.41 C ATOM 0 H LEU A 121 3.279 11.474 -0.799 1.00 41.12 H new ATOM 0 HA LEU A 121 4.111 11.487 -3.656 1.00 41.44 H new ATOM 0 HB2 LEU A 121 1.352 12.068 -2.470 1.00 54.14 H new ATOM 0 HB3 LEU A 121 1.791 12.348 -4.144 1.00 54.14 H new ATOM 0 HG LEU A 121 1.703 9.623 -2.776 1.00 74.23 H new ATOM 0 HD11 LEU A 121 -0.282 9.184 -4.205 1.00 72.31 H new ATOM 0 HD12 LEU A 121 -0.552 10.538 -3.082 1.00 72.31 H new ATOM 0 HD13 LEU A 121 -0.212 10.860 -4.799 1.00 72.31 H new ATOM 0 HD21 LEU A 121 2.004 8.655 -5.041 1.00 42.41 H new ATOM 0 HD22 LEU A 121 2.232 10.292 -5.700 1.00 42.41 H new ATOM 0 HD23 LEU A 121 3.404 9.631 -4.536 1.00 42.41 H new ATOM 1835 N SER A 122 4.010 14.090 -3.786 1.00 12.35 N ATOM 1836 CA SER A 122 4.284 15.548 -3.803 1.00 70.32 C ATOM 1837 C SER A 122 3.708 16.177 -5.090 1.00 5.42 C ATOM 1838 O SER A 122 3.795 15.574 -6.154 1.00 24.10 O ATOM 1839 CB SER A 122 5.812 15.814 -3.737 1.00 13.12 C ATOM 1840 OG SER A 122 6.102 17.207 -3.729 1.00 71.00 O ATOM 0 H SER A 122 3.996 13.672 -4.716 1.00 12.35 H new ATOM 0 HA SER A 122 3.808 15.999 -2.932 1.00 70.32 H new ATOM 0 HB2 SER A 122 6.224 15.351 -2.840 1.00 13.12 H new ATOM 0 HB3 SER A 122 6.301 15.345 -4.591 1.00 13.12 H new ATOM 0 HG SER A 122 7.072 17.339 -3.685 1.00 71.00 H new ATOM 1846 N ALA A 123 3.130 17.388 -4.991 1.00 73.15 N ATOM 1847 CA ALA A 123 2.577 18.108 -6.163 1.00 35.25 C ATOM 1848 C ALA A 123 3.711 18.716 -7.023 1.00 40.22 C ATOM 1849 O ALA A 123 4.607 19.383 -6.490 1.00 21.54 O ATOM 1850 CB ALA A 123 1.591 19.199 -5.708 1.00 43.23 C ATOM 0 H ALA A 123 3.031 17.893 -4.111 1.00 73.15 H new ATOM 0 HA ALA A 123 2.036 17.391 -6.780 1.00 35.25 H new ATOM 0 HB1 ALA A 123 1.194 19.718 -6.581 1.00 43.23 H new ATOM 0 HB2 ALA A 123 0.771 18.741 -5.155 1.00 43.23 H new ATOM 0 HB3 ALA A 123 2.108 19.912 -5.066 1.00 43.23 H new ATOM 1856 N LYS A 124 3.671 18.471 -8.346 1.00 72.44 N ATOM 1857 CA LYS A 124 4.685 19.000 -9.288 1.00 32.23 C ATOM 1858 C LYS A 124 4.490 20.529 -9.503 1.00 1.12 C ATOM 1859 O LYS A 124 3.715 20.962 -10.369 1.00 22.21 O ATOM 1860 CB LYS A 124 4.614 18.223 -10.635 1.00 72.04 C ATOM 1861 CG LYS A 124 5.694 18.619 -11.665 1.00 40.13 C ATOM 1862 CD LYS A 124 5.532 17.891 -13.020 1.00 74.32 C ATOM 1863 CE LYS A 124 6.601 18.316 -14.047 1.00 13.53 C ATOM 1864 NZ LYS A 124 6.597 19.784 -14.303 1.00 1.01 N ATOM 0 H LYS A 124 2.946 17.908 -8.792 1.00 72.44 H new ATOM 0 HA LYS A 124 5.677 18.853 -8.861 1.00 32.23 H new ATOM 0 HB2 LYS A 124 4.702 17.156 -10.429 1.00 72.04 H new ATOM 0 HB3 LYS A 124 3.632 18.382 -11.079 1.00 72.04 H new ATOM 0 HG2 LYS A 124 5.653 19.696 -11.830 1.00 40.13 H new ATOM 0 HG3 LYS A 124 6.679 18.396 -11.255 1.00 40.13 H new ATOM 0 HD2 LYS A 124 5.593 16.814 -12.861 1.00 74.32 H new ATOM 0 HD3 LYS A 124 4.541 18.098 -13.424 1.00 74.32 H new ATOM 0 HE2 LYS A 124 7.585 18.016 -13.687 1.00 13.53 H new ATOM 0 HE3 LYS A 124 6.430 17.787 -14.984 1.00 13.53 H new ATOM 0 HZ1 LYS A 124 7.223 19.998 -15.105 1.00 1.01 H new ATOM 0 HZ2 LYS A 124 5.630 20.095 -14.526 1.00 1.01 H new ATOM 0 HZ3 LYS A 124 6.935 20.285 -13.457 1.00 1.01 H new