USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1101 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 32 GLN : amide:sc= 0.297 K(o=1.2,f=-6.6!) USER MOD Set 1.2: A 136 SER OG : rot 143:sc= 0.878 USER MOD Set 2.1: A 125 HIS : no HD1:sc= 0.449 K(o=1.6,f=-4.3) USER MOD Set 2.2: A 130 ASN : amide:sc= 1.12 K(o=1.6,f=-0.72) USER MOD Set 3.1: A 83 ASN : amide:sc= 0.094 K(o=1,f=-0.26) USER MOD Set 3.2: A 84 ASN : amide:sc= 0.951 K(o=1,f=-7!) USER MOD Set 4.1: A 46 SER OG : rot -80:sc= 1.08 USER MOD Set 4.2: A 47 HIS : no HD1:sc= -0.0162 K(o=1.1,f=-0.67) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= -0.176 (180deg=-0.601) USER MOD Single : A 11 ASN : amide:sc= -3.16! K(o=-3.2!,f=-0.35) USER MOD Single : A 13 GLN : amide:sc= -4.6! K(o=-4.6!,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.51) USER MOD Single : A 36 MET CE :methyl -147:sc= -0.215 (180deg=-0.83) USER MOD Single : A 37 ASN : amide:sc= -2.38 K(o=-2.4,f=-5.4!) USER MOD Single : A 45 SER OG : rot 85:sc= 0.493 USER MOD Single : A 55 THR OG1 : rot -173:sc= -0.866! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 128:sc= 0.913 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0.169) USER MOD Single : A 74 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.9!) USER MOD Single : A 82 ASN : amide:sc= 0.59 K(o=0.59,f=-0.32) USER MOD Single : A 94 GLN : amide:sc= -4.78! C(o=-4.8!,f=-9.4!) USER MOD Single : A 101 THR OG1 : rot 151:sc= 0.104 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 71:sc= 0.0025 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 122 MET CE :methyl -146:sc= -1.45 (180deg=-3.93!) USER MOD Single : A 128 SER OG : rot 76:sc= 0.858 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 144 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 5.222 -3.901 19.061 1.00 52.12 N ATOM 45 CA VAL A 3 6.074 -3.659 17.886 1.00 73.33 C ATOM 46 C VAL A 3 6.276 -4.929 17.033 1.00 22.31 C ATOM 47 O VAL A 3 6.748 -5.958 17.525 1.00 74.52 O ATOM 48 CB VAL A 3 7.458 -3.109 18.315 1.00 25.33 C ATOM 49 CG1 VAL A 3 8.381 -2.951 17.111 1.00 44.11 C ATOM 50 CG2 VAL A 3 7.310 -1.782 19.057 1.00 22.31 C ATOM 0 HA VAL A 3 5.554 -2.920 17.276 1.00 73.33 H new ATOM 0 HB VAL A 3 7.909 -3.832 18.995 1.00 25.33 H new ATOM 0 HG11 VAL A 3 9.345 -2.564 17.440 1.00 44.11 H new ATOM 0 HG12 VAL A 3 8.523 -3.920 16.632 1.00 44.11 H new ATOM 0 HG13 VAL A 3 7.935 -2.257 16.399 1.00 44.11 H new ATOM 0 HG21 VAL A 3 8.295 -1.416 19.348 1.00 22.31 H new ATOM 0 HG22 VAL A 3 6.830 -1.052 18.405 1.00 22.31 H new ATOM 0 HG23 VAL A 3 6.700 -1.930 19.948 1.00 22.31 H new ATOM 60 N TYR A 4 5.923 -4.839 15.751 1.00 35.23 N ATOM 61 CA TYR A 4 6.047 -5.967 14.818 1.00 2.44 C ATOM 62 C TYR A 4 7.411 -5.994 14.112 1.00 12.03 C ATOM 63 O TYR A 4 8.233 -5.088 14.255 1.00 71.52 O ATOM 64 CB TYR A 4 4.949 -5.895 13.745 1.00 72.44 C ATOM 65 CG TYR A 4 3.555 -6.255 14.225 1.00 43.45 C ATOM 66 CD1 TYR A 4 2.869 -5.446 15.124 1.00 15.41 C ATOM 67 CD2 TYR A 4 2.915 -7.399 13.754 1.00 23.12 C ATOM 68 CE1 TYR A 4 1.592 -5.767 15.540 1.00 5.31 C ATOM 69 CE2 TYR A 4 1.641 -7.727 14.167 1.00 63.33 C ATOM 70 CZ TYR A 4 0.982 -6.907 15.061 1.00 23.20 C ATOM 71 OH TYR A 4 -0.295 -7.222 15.466 1.00 20.14 O ATOM 0 H TYR A 4 5.545 -3.991 15.329 1.00 35.23 H new ATOM 0 HA TYR A 4 5.946 -6.875 15.413 1.00 2.44 H new ATOM 0 HB2 TYR A 4 4.926 -4.884 13.338 1.00 72.44 H new ATOM 0 HB3 TYR A 4 5.218 -6.563 12.926 1.00 72.44 H new ATOM 0 HD1 TYR A 4 3.342 -4.552 15.503 1.00 15.41 H new ATOM 0 HD2 TYR A 4 3.426 -8.041 13.052 1.00 23.12 H new ATOM 0 HE1 TYR A 4 1.073 -5.127 16.238 1.00 5.31 H new ATOM 0 HE2 TYR A 4 1.162 -8.620 13.793 1.00 63.33 H new ATOM 0 HH TYR A 4 -0.578 -8.055 15.035 1.00 20.14 H new ATOM 81 N LYS A 5 7.625 -7.059 13.349 1.00 62.15 N ATOM 82 CA LYS A 5 8.771 -7.180 12.444 1.00 74.14 C ATOM 83 C LYS A 5 8.286 -7.656 11.068 1.00 2.50 C ATOM 84 O LYS A 5 7.256 -8.326 10.973 1.00 21.41 O ATOM 85 CB LYS A 5 9.800 -8.182 12.998 1.00 23.22 C ATOM 86 CG LYS A 5 10.568 -7.705 14.229 1.00 3.31 C ATOM 87 CD LYS A 5 11.596 -6.632 13.875 1.00 71.32 C ATOM 88 CE LYS A 5 12.537 -6.344 15.041 1.00 13.44 C ATOM 89 NZ LYS A 5 13.261 -7.568 15.483 1.00 12.41 N ATOM 0 H LYS A 5 7.007 -7.870 13.338 1.00 62.15 H new ATOM 0 HA LYS A 5 9.248 -6.204 12.354 1.00 74.14 H new ATOM 0 HB2 LYS A 5 9.284 -9.109 13.247 1.00 23.22 H new ATOM 0 HB3 LYS A 5 10.516 -8.417 12.210 1.00 23.22 H new ATOM 0 HG2 LYS A 5 9.867 -7.309 14.964 1.00 3.31 H new ATOM 0 HG3 LYS A 5 11.072 -8.552 14.694 1.00 3.31 H new ATOM 0 HD2 LYS A 5 12.176 -6.955 13.011 1.00 71.32 H new ATOM 0 HD3 LYS A 5 11.081 -5.715 13.588 1.00 71.32 H new ATOM 0 HE2 LYS A 5 13.258 -5.582 14.746 1.00 13.44 H new ATOM 0 HE3 LYS A 5 11.967 -5.937 15.876 1.00 13.44 H new ATOM 0 HZ1 LYS A 5 14.110 -7.295 16.019 1.00 12.41 H new ATOM 0 HZ2 LYS A 5 12.638 -8.140 16.089 1.00 12.41 H new ATOM 0 HZ3 LYS A 5 13.541 -8.125 14.651 1.00 12.41 H new ATOM 103 N PRO A 6 9.006 -7.330 9.978 1.00 32.22 N ATOM 104 CA PRO A 6 8.640 -7.805 8.633 1.00 61.15 C ATOM 105 C PRO A 6 8.551 -9.340 8.556 1.00 2.35 C ATOM 106 O PRO A 6 7.780 -9.883 7.768 1.00 3.34 O ATOM 107 CB PRO A 6 9.756 -7.260 7.722 1.00 0.21 C ATOM 108 CG PRO A 6 10.851 -6.823 8.643 1.00 63.04 C ATOM 109 CD PRO A 6 10.205 -6.477 9.957 1.00 32.42 C ATOM 0 HA PRO A 6 7.649 -7.458 8.339 1.00 61.15 H new ATOM 0 HB2 PRO A 6 10.107 -8.027 7.031 1.00 0.21 H new ATOM 0 HB3 PRO A 6 9.397 -6.427 7.118 1.00 0.21 H new ATOM 0 HG2 PRO A 6 11.587 -7.617 8.772 1.00 63.04 H new ATOM 0 HG3 PRO A 6 11.379 -5.962 8.234 1.00 63.04 H new ATOM 0 HD2 PRO A 6 10.865 -6.689 10.798 1.00 32.42 H new ATOM 0 HD3 PRO A 6 9.948 -5.419 10.013 1.00 32.42 H new ATOM 117 N GLU A 7 9.334 -10.040 9.384 1.00 43.23 N ATOM 118 CA GLU A 7 9.248 -11.509 9.471 1.00 55.00 C ATOM 119 C GLU A 7 8.123 -11.972 10.425 1.00 64.53 C ATOM 120 O GLU A 7 7.763 -13.152 10.440 1.00 12.22 O ATOM 121 CB GLU A 7 10.600 -12.139 9.877 1.00 3.43 C ATOM 122 CG GLU A 7 11.356 -11.408 10.989 1.00 1.42 C ATOM 123 CD GLU A 7 12.250 -10.290 10.463 1.00 0.42 C ATOM 124 OE1 GLU A 7 13.342 -10.592 9.936 1.00 23.32 O ATOM 125 OE2 GLU A 7 11.867 -9.111 10.562 1.00 34.14 O ATOM 0 H GLU A 7 10.030 -9.621 10.000 1.00 43.23 H new ATOM 0 HA GLU A 7 8.998 -11.862 8.471 1.00 55.00 H new ATOM 0 HB2 GLU A 7 10.422 -13.166 10.196 1.00 3.43 H new ATOM 0 HB3 GLU A 7 11.240 -12.185 8.996 1.00 3.43 H new ATOM 0 HG2 GLU A 7 10.639 -10.991 11.696 1.00 1.42 H new ATOM 0 HG3 GLU A 7 11.965 -12.125 11.539 1.00 1.42 H new ATOM 132 N ASP A 8 7.572 -11.048 11.219 1.00 32.25 N ATOM 133 CA ASP A 8 6.392 -11.339 12.056 1.00 51.30 C ATOM 134 C ASP A 8 5.089 -11.234 11.244 1.00 44.41 C ATOM 135 O ASP A 8 4.086 -11.877 11.568 1.00 53.43 O ATOM 136 CB ASP A 8 6.319 -10.384 13.259 1.00 14.01 C ATOM 137 CG ASP A 8 7.122 -10.871 14.450 1.00 73.43 C ATOM 138 OD1 ASP A 8 6.657 -11.802 15.136 1.00 23.42 O ATOM 139 OD2 ASP A 8 8.204 -10.313 14.718 1.00 70.52 O ATOM 0 H ASP A 8 7.920 -10.093 11.303 1.00 32.25 H new ATOM 0 HA ASP A 8 6.501 -12.362 12.417 1.00 51.30 H new ATOM 0 HB2 ASP A 8 6.683 -9.402 12.959 1.00 14.01 H new ATOM 0 HB3 ASP A 8 5.277 -10.261 13.556 1.00 14.01 H new ATOM 144 N VAL A 9 5.110 -10.410 10.198 1.00 24.42 N ATOM 145 CA VAL A 9 3.934 -10.200 9.342 1.00 23.13 C ATOM 146 C VAL A 9 3.493 -11.511 8.651 1.00 4.24 C ATOM 147 O VAL A 9 4.317 -12.210 8.054 1.00 73.33 O ATOM 148 CB VAL A 9 4.221 -9.120 8.265 1.00 3.21 C ATOM 149 CG1 VAL A 9 3.005 -8.898 7.367 1.00 61.24 C ATOM 150 CG2 VAL A 9 4.657 -7.811 8.921 1.00 14.20 C ATOM 0 H VAL A 9 5.931 -9.873 9.918 1.00 24.42 H new ATOM 0 HA VAL A 9 3.125 -9.859 9.988 1.00 23.13 H new ATOM 0 HB VAL A 9 5.036 -9.479 7.637 1.00 3.21 H new ATOM 0 HG11 VAL A 9 3.237 -8.136 6.623 1.00 61.24 H new ATOM 0 HG12 VAL A 9 2.749 -9.831 6.864 1.00 61.24 H new ATOM 0 HG13 VAL A 9 2.161 -8.569 7.973 1.00 61.24 H new ATOM 0 HG21 VAL A 9 4.854 -7.066 8.150 1.00 14.20 H new ATOM 0 HG22 VAL A 9 3.865 -7.452 9.579 1.00 14.20 H new ATOM 0 HG23 VAL A 9 5.563 -7.980 9.503 1.00 14.20 H new ATOM 160 N PRO A 10 2.187 -11.865 8.738 1.00 65.11 N ATOM 161 CA PRO A 10 1.640 -13.083 8.099 1.00 52.53 C ATOM 162 C PRO A 10 1.977 -13.189 6.598 1.00 30.13 C ATOM 163 O PRO A 10 1.714 -12.270 5.823 1.00 3.42 O ATOM 164 CB PRO A 10 0.123 -12.933 8.300 1.00 52.30 C ATOM 165 CG PRO A 10 -0.014 -12.080 9.515 1.00 75.10 C ATOM 166 CD PRO A 10 1.144 -11.119 9.476 1.00 73.15 C ATOM 0 HA PRO A 10 2.063 -13.988 8.536 1.00 52.53 H new ATOM 0 HB2 PRO A 10 -0.347 -12.467 7.434 1.00 52.30 H new ATOM 0 HB3 PRO A 10 -0.356 -13.902 8.440 1.00 52.30 H new ATOM 0 HG2 PRO A 10 -0.965 -11.547 9.513 1.00 75.10 H new ATOM 0 HG3 PRO A 10 0.010 -12.685 10.422 1.00 75.10 H new ATOM 0 HD2 PRO A 10 0.879 -10.191 8.969 1.00 73.15 H new ATOM 0 HD3 PRO A 10 1.476 -10.850 10.479 1.00 73.15 H new ATOM 174 N ASN A 11 2.552 -14.322 6.194 1.00 42.21 N ATOM 175 CA ASN A 11 2.949 -14.545 4.798 1.00 71.02 C ATOM 176 C ASN A 11 1.714 -14.754 3.899 1.00 71.23 C ATOM 177 O ASN A 11 1.437 -15.869 3.454 1.00 54.03 O ATOM 178 CB ASN A 11 3.892 -15.763 4.730 1.00 2.30 C ATOM 179 CG ASN A 11 4.670 -15.891 3.421 1.00 50.03 C ATOM 180 OD1 ASN A 11 5.817 -16.322 3.421 1.00 32.35 O ATOM 181 ND2 ASN A 11 4.057 -15.565 2.296 1.00 31.31 N ATOM 0 H ASN A 11 2.755 -15.105 6.815 1.00 42.21 H new ATOM 0 HA ASN A 11 3.473 -13.663 4.429 1.00 71.02 H new ATOM 0 HB2 ASN A 11 4.602 -15.703 5.555 1.00 2.30 H new ATOM 0 HB3 ASN A 11 3.305 -16.669 4.879 1.00 2.30 H new ATOM 0 HD21 ASN A 11 4.539 -15.670 1.403 1.00 31.31 H new ATOM 0 HD22 ASN A 11 3.102 -15.208 2.321 1.00 31.31 H new ATOM 188 N VAL A 12 0.977 -13.676 3.628 1.00 50.30 N ATOM 189 CA VAL A 12 -0.240 -13.762 2.807 1.00 60.24 C ATOM 190 C VAL A 12 0.070 -14.105 1.339 1.00 55.34 C ATOM 191 O VAL A 12 -0.659 -14.867 0.708 1.00 45.13 O ATOM 192 CB VAL A 12 -1.078 -12.460 2.865 1.00 74.45 C ATOM 193 CG1 VAL A 12 -1.590 -12.218 4.284 1.00 22.21 C ATOM 194 CG2 VAL A 12 -0.272 -11.262 2.360 1.00 54.21 C ATOM 0 H VAL A 12 1.196 -12.737 3.961 1.00 50.30 H new ATOM 0 HA VAL A 12 -0.826 -14.574 3.237 1.00 60.24 H new ATOM 0 HB VAL A 12 -1.938 -12.579 2.206 1.00 74.45 H new ATOM 0 HG11 VAL A 12 -2.177 -11.300 4.307 1.00 22.21 H new ATOM 0 HG12 VAL A 12 -2.215 -13.056 4.593 1.00 22.21 H new ATOM 0 HG13 VAL A 12 -0.744 -12.126 4.965 1.00 22.21 H new ATOM 0 HG21 VAL A 12 -0.886 -10.363 2.412 1.00 54.21 H new ATOM 0 HG22 VAL A 12 0.615 -11.133 2.980 1.00 54.21 H new ATOM 0 HG23 VAL A 12 0.030 -11.436 1.327 1.00 54.21 H new ATOM 204 N GLN A 13 1.152 -13.548 0.797 1.00 34.45 N ATOM 205 CA GLN A 13 1.565 -13.856 -0.580 1.00 10.54 C ATOM 206 C GLN A 13 2.147 -15.273 -0.671 1.00 61.34 C ATOM 207 O GLN A 13 3.360 -15.468 -0.769 1.00 50.34 O ATOM 208 CB GLN A 13 2.564 -12.814 -1.104 1.00 22.40 C ATOM 209 CG GLN A 13 1.921 -11.473 -1.449 1.00 1.05 C ATOM 210 CD GLN A 13 0.907 -11.589 -2.578 1.00 71.11 C ATOM 211 OE1 GLN A 13 1.242 -11.462 -3.747 1.00 63.02 O ATOM 212 NE2 GLN A 13 -0.342 -11.840 -2.236 1.00 64.30 N ATOM 0 H GLN A 13 1.757 -12.886 1.282 1.00 34.45 H new ATOM 0 HA GLN A 13 0.679 -13.814 -1.214 1.00 10.54 H new ATOM 0 HB2 GLN A 13 3.338 -12.654 -0.353 1.00 22.40 H new ATOM 0 HB3 GLN A 13 3.058 -13.210 -1.991 1.00 22.40 H new ATOM 0 HG2 GLN A 13 1.430 -11.070 -0.563 1.00 1.05 H new ATOM 0 HG3 GLN A 13 2.698 -10.763 -1.733 1.00 1.05 H new ATOM 0 HE21 GLN A 13 -0.591 -11.941 -1.252 1.00 64.30 H new ATOM 0 HE22 GLN A 13 -1.059 -11.933 -2.956 1.00 64.30 H new ATOM 221 N LEU A 14 1.245 -16.246 -0.620 1.00 23.21 N ATOM 222 CA LEU A 14 1.588 -17.671 -0.602 1.00 33.14 C ATOM 223 C LEU A 14 0.289 -18.479 -0.466 1.00 53.21 C ATOM 224 O LEU A 14 -0.024 -19.337 -1.290 1.00 44.30 O ATOM 225 CB LEU A 14 2.548 -17.974 0.574 1.00 45.13 C ATOM 226 CG LEU A 14 3.294 -19.326 0.532 1.00 23.02 C ATOM 227 CD1 LEU A 14 4.452 -19.321 1.528 1.00 23.31 C ATOM 228 CD2 LEU A 14 2.358 -20.500 0.822 1.00 62.52 C ATOM 0 H LEU A 14 0.241 -16.070 -0.589 1.00 23.21 H new ATOM 0 HA LEU A 14 2.096 -17.948 -1.526 1.00 33.14 H new ATOM 0 HB2 LEU A 14 3.291 -17.177 0.621 1.00 45.13 H new ATOM 0 HB3 LEU A 14 1.975 -17.930 1.500 1.00 45.13 H new ATOM 0 HG LEU A 14 3.685 -19.455 -0.477 1.00 23.02 H new ATOM 0 HD11 LEU A 14 4.970 -20.279 1.489 1.00 23.31 H new ATOM 0 HD12 LEU A 14 5.148 -18.522 1.273 1.00 23.31 H new ATOM 0 HD13 LEU A 14 4.066 -19.158 2.534 1.00 23.31 H new ATOM 0 HD21 LEU A 14 2.921 -21.432 0.783 1.00 62.52 H new ATOM 0 HD22 LEU A 14 1.921 -20.381 1.814 1.00 62.52 H new ATOM 0 HD23 LEU A 14 1.563 -20.525 0.076 1.00 62.52 H new ATOM 240 N ALA A 15 -0.459 -18.177 0.591 1.00 61.22 N ATOM 241 CA ALA A 15 -1.788 -18.759 0.809 1.00 4.25 C ATOM 242 C ALA A 15 -2.891 -17.809 0.316 1.00 5.20 C ATOM 243 O ALA A 15 -3.808 -18.208 -0.405 1.00 52.13 O ATOM 244 CB ALA A 15 -1.976 -19.064 2.291 1.00 2.31 C ATOM 0 H ALA A 15 -0.167 -17.526 1.320 1.00 61.22 H new ATOM 0 HA ALA A 15 -1.862 -19.685 0.238 1.00 4.25 H new ATOM 0 HB1 ALA A 15 -2.964 -19.496 2.451 1.00 2.31 H new ATOM 0 HB2 ALA A 15 -1.213 -19.771 2.617 1.00 2.31 H new ATOM 0 HB3 ALA A 15 -1.886 -18.143 2.866 1.00 2.31 H new ATOM 250 N ASP A 16 -2.781 -16.543 0.707 1.00 53.41 N ATOM 251 CA ASP A 16 -3.754 -15.510 0.335 1.00 62.44 C ATOM 252 C ASP A 16 -3.290 -14.703 -0.890 1.00 71.43 C ATOM 253 O ASP A 16 -3.327 -13.468 -0.891 1.00 14.24 O ATOM 254 CB ASP A 16 -3.983 -14.576 1.524 1.00 53.04 C ATOM 255 CG ASP A 16 -4.623 -15.293 2.692 1.00 72.02 C ATOM 256 OD1 ASP A 16 -3.890 -15.875 3.516 1.00 13.25 O ATOM 257 OD2 ASP A 16 -5.867 -15.282 2.786 1.00 41.04 O ATOM 0 H ASP A 16 -2.017 -16.200 1.290 1.00 53.41 H new ATOM 0 HA ASP A 16 -4.688 -16.004 0.066 1.00 62.44 H new ATOM 0 HB2 ASP A 16 -3.031 -14.149 1.838 1.00 53.04 H new ATOM 0 HB3 ASP A 16 -4.618 -13.746 1.216 1.00 53.04 H new ATOM 262 N SER A 17 -2.876 -15.405 -1.941 1.00 63.32 N ATOM 263 CA SER A 17 -2.447 -14.756 -3.189 1.00 62.13 C ATOM 264 C SER A 17 -3.620 -14.060 -3.899 1.00 4.05 C ATOM 265 O SER A 17 -3.418 -13.270 -4.816 1.00 73.11 O ATOM 266 CB SER A 17 -1.795 -15.774 -4.135 1.00 3.34 C ATOM 267 OG SER A 17 -0.621 -16.332 -3.560 1.00 14.42 O ATOM 0 H SER A 17 -2.826 -16.424 -1.959 1.00 63.32 H new ATOM 0 HA SER A 17 -1.713 -13.996 -2.922 1.00 62.13 H new ATOM 0 HB2 SER A 17 -2.505 -16.569 -4.363 1.00 3.34 H new ATOM 0 HB3 SER A 17 -1.546 -15.289 -5.079 1.00 3.34 H new ATOM 0 HG SER A 17 -0.227 -16.978 -4.183 1.00 14.42 H new ATOM 273 N THR A 18 -4.849 -14.368 -3.476 1.00 72.42 N ATOM 274 CA THR A 18 -6.049 -13.698 -4.005 1.00 42.50 C ATOM 275 C THR A 18 -6.518 -12.567 -3.076 1.00 11.23 C ATOM 276 O THR A 18 -7.479 -11.861 -3.380 1.00 13.30 O ATOM 277 CB THR A 18 -7.224 -14.689 -4.197 1.00 53.21 C ATOM 278 OG1 THR A 18 -7.625 -15.236 -2.931 1.00 34.31 O ATOM 279 CG2 THR A 18 -6.843 -15.819 -5.149 1.00 23.51 C ATOM 0 H THR A 18 -5.043 -15.077 -2.769 1.00 72.42 H new ATOM 0 HA THR A 18 -5.762 -13.285 -4.972 1.00 42.50 H new ATOM 0 HB THR A 18 -8.057 -14.138 -4.633 1.00 53.21 H new ATOM 0 HG1 THR A 18 -8.369 -15.859 -3.065 1.00 34.31 H new ATOM 0 HG21 THR A 18 -7.688 -16.498 -5.264 1.00 23.51 H new ATOM 0 HG22 THR A 18 -6.578 -15.402 -6.121 1.00 23.51 H new ATOM 0 HG23 THR A 18 -5.991 -16.365 -4.743 1.00 23.51 H new ATOM 287 N ARG A 19 -5.842 -12.405 -1.939 1.00 51.12 N ATOM 288 CA ARG A 19 -6.169 -11.342 -0.976 1.00 3.41 C ATOM 289 C ARG A 19 -5.132 -10.206 -1.036 1.00 64.35 C ATOM 290 O ARG A 19 -5.477 -9.044 -1.234 1.00 1.54 O ATOM 291 CB ARG A 19 -6.235 -11.919 0.448 1.00 62.43 C ATOM 292 CG ARG A 19 -6.608 -10.888 1.509 1.00 12.23 C ATOM 293 CD ARG A 19 -6.640 -11.479 2.914 1.00 4.55 C ATOM 294 NE ARG A 19 -7.078 -10.490 3.894 1.00 44.42 N ATOM 295 CZ ARG A 19 -7.155 -10.700 5.179 1.00 3.23 C ATOM 296 NH1 ARG A 19 -6.818 -11.836 5.695 1.00 42.31 N ATOM 297 NH2 ARG A 19 -7.575 -9.756 5.951 1.00 14.21 N ATOM 0 H ARG A 19 -5.060 -12.997 -1.657 1.00 51.12 H new ATOM 0 HA ARG A 19 -7.143 -10.931 -1.241 1.00 3.41 H new ATOM 0 HB2 ARG A 19 -6.964 -12.729 0.469 1.00 62.43 H new ATOM 0 HB3 ARG A 19 -5.268 -12.353 0.700 1.00 62.43 H new ATOM 0 HG2 ARG A 19 -5.892 -10.067 1.480 1.00 12.23 H new ATOM 0 HG3 ARG A 19 -7.585 -10.467 1.273 1.00 12.23 H new ATOM 0 HD2 ARG A 19 -7.312 -12.337 2.935 1.00 4.55 H new ATOM 0 HD3 ARG A 19 -5.648 -11.844 3.180 1.00 4.55 H new ATOM 0 HE ARG A 19 -7.343 -9.568 3.549 1.00 44.42 H new ATOM 0 HH11 ARG A 19 -6.484 -12.590 5.095 1.00 42.31 H new ATOM 0 HH12 ARG A 19 -6.886 -11.979 6.703 1.00 42.31 H new ATOM 0 HH21 ARG A 19 -7.843 -8.855 5.555 1.00 14.21 H new ATOM 0 HH22 ARG A 19 -7.639 -9.910 6.957 1.00 14.21 H new ATOM 311 N LEU A 20 -3.857 -10.567 -0.837 1.00 2.53 N ATOM 312 CA LEU A 20 -2.711 -9.633 -0.943 1.00 31.42 C ATOM 313 C LEU A 20 -2.668 -8.594 0.202 1.00 1.40 C ATOM 314 O LEU A 20 -1.655 -7.921 0.399 1.00 32.42 O ATOM 315 CB LEU A 20 -2.682 -8.913 -2.311 1.00 4.14 C ATOM 316 CG LEU A 20 -2.534 -9.819 -3.555 1.00 61.41 C ATOM 317 CD1 LEU A 20 -3.887 -10.345 -4.029 1.00 13.52 C ATOM 318 CD2 LEU A 20 -1.819 -9.085 -4.687 1.00 41.22 C ATOM 0 H LEU A 20 -3.583 -11.519 -0.596 1.00 2.53 H new ATOM 0 HA LEU A 20 -1.820 -10.255 -0.854 1.00 31.42 H new ATOM 0 HB2 LEU A 20 -3.601 -8.336 -2.414 1.00 4.14 H new ATOM 0 HB3 LEU A 20 -1.857 -8.200 -2.306 1.00 4.14 H new ATOM 0 HG LEU A 20 -1.926 -10.675 -3.262 1.00 61.41 H new ATOM 0 HD11 LEU A 20 -3.745 -10.978 -4.905 1.00 13.52 H new ATOM 0 HD12 LEU A 20 -4.351 -10.927 -3.232 1.00 13.52 H new ATOM 0 HD13 LEU A 20 -4.533 -9.506 -4.289 1.00 13.52 H new ATOM 0 HD21 LEU A 20 -1.729 -9.746 -5.549 1.00 41.22 H new ATOM 0 HD22 LEU A 20 -2.392 -8.201 -4.966 1.00 41.22 H new ATOM 0 HD23 LEU A 20 -0.825 -8.784 -4.355 1.00 41.22 H new ATOM 330 N VAL A 21 -3.759 -8.470 0.952 1.00 23.51 N ATOM 331 CA VAL A 21 -3.844 -7.519 2.066 1.00 11.15 C ATOM 332 C VAL A 21 -3.460 -8.165 3.411 1.00 12.12 C ATOM 333 O VAL A 21 -3.666 -9.361 3.627 1.00 62.10 O ATOM 334 CB VAL A 21 -5.278 -6.939 2.171 1.00 43.13 C ATOM 335 CG1 VAL A 21 -5.424 -6.007 3.377 1.00 55.42 C ATOM 336 CG2 VAL A 21 -5.657 -6.210 0.885 1.00 72.04 C ATOM 0 H VAL A 21 -4.606 -9.020 0.810 1.00 23.51 H new ATOM 0 HA VAL A 21 -3.132 -6.720 1.857 1.00 11.15 H new ATOM 0 HB VAL A 21 -5.961 -7.776 2.315 1.00 43.13 H new ATOM 0 HG11 VAL A 21 -6.442 -5.620 3.417 1.00 55.42 H new ATOM 0 HG12 VAL A 21 -5.209 -6.559 4.292 1.00 55.42 H new ATOM 0 HG13 VAL A 21 -4.724 -5.177 3.282 1.00 55.42 H new ATOM 0 HG21 VAL A 21 -6.667 -5.810 0.978 1.00 72.04 H new ATOM 0 HG22 VAL A 21 -4.957 -5.393 0.710 1.00 72.04 H new ATOM 0 HG23 VAL A 21 -5.618 -6.906 0.047 1.00 72.04 H new ATOM 346 N THR A 22 -2.886 -7.362 4.307 1.00 2.14 N ATOM 347 CA THR A 22 -2.569 -7.798 5.672 1.00 44.11 C ATOM 348 C THR A 22 -2.792 -6.653 6.670 1.00 10.44 C ATOM 349 O THR A 22 -1.973 -5.741 6.775 1.00 31.21 O ATOM 350 CB THR A 22 -1.102 -8.283 5.793 1.00 1.13 C ATOM 351 OG1 THR A 22 -0.831 -9.293 4.813 1.00 54.22 O ATOM 352 CG2 THR A 22 -0.817 -8.840 7.186 1.00 71.41 C ATOM 0 H THR A 22 -2.628 -6.395 4.111 1.00 2.14 H new ATOM 0 HA THR A 22 -3.235 -8.629 5.902 1.00 44.11 H new ATOM 0 HB THR A 22 -0.454 -7.424 5.622 1.00 1.13 H new ATOM 0 HG1 THR A 22 0.099 -9.590 4.898 1.00 54.22 H new ATOM 0 HG21 THR A 22 0.220 -9.172 7.240 1.00 71.41 H new ATOM 0 HG22 THR A 22 -0.988 -8.063 7.931 1.00 71.41 H new ATOM 0 HG23 THR A 22 -1.479 -9.683 7.383 1.00 71.41 H new ATOM 360 N ASP A 23 -3.902 -6.701 7.400 1.00 1.14 N ATOM 361 CA ASP A 23 -4.238 -5.644 8.360 1.00 44.54 C ATOM 362 C ASP A 23 -4.020 -6.120 9.805 1.00 32.04 C ATOM 363 O ASP A 23 -4.898 -6.731 10.417 1.00 52.54 O ATOM 364 CB ASP A 23 -5.687 -5.175 8.144 1.00 30.33 C ATOM 365 CG ASP A 23 -6.159 -4.179 9.198 1.00 53.41 C ATOM 366 OD1 ASP A 23 -5.748 -2.997 9.149 1.00 12.23 O ATOM 367 OD2 ASP A 23 -6.940 -4.580 10.083 1.00 42.55 O ATOM 0 H ASP A 23 -4.585 -7.457 7.349 1.00 1.14 H new ATOM 0 HA ASP A 23 -3.572 -4.798 8.191 1.00 44.54 H new ATOM 0 HB2 ASP A 23 -5.771 -4.718 7.158 1.00 30.33 H new ATOM 0 HB3 ASP A 23 -6.348 -6.042 8.151 1.00 30.33 H new ATOM 372 N GLU A 24 -2.830 -5.849 10.334 1.00 14.23 N ATOM 373 CA GLU A 24 -2.491 -6.216 11.712 1.00 14.33 C ATOM 374 C GLU A 24 -2.762 -5.049 12.670 1.00 65.43 C ATOM 375 O GLU A 24 -3.194 -5.248 13.806 1.00 55.14 O ATOM 376 CB GLU A 24 -1.019 -6.643 11.803 1.00 63.23 C ATOM 377 CG GLU A 24 -0.668 -7.857 10.945 1.00 15.11 C ATOM 378 CD GLU A 24 -1.436 -9.113 11.346 1.00 23.34 C ATOM 379 OE1 GLU A 24 -1.078 -9.730 12.373 1.00 12.03 O ATOM 380 OE2 GLU A 24 -2.402 -9.484 10.644 1.00 21.21 O ATOM 0 H GLU A 24 -2.080 -5.375 9.830 1.00 14.23 H new ATOM 0 HA GLU A 24 -3.122 -7.055 12.005 1.00 14.33 H new ATOM 0 HB2 GLU A 24 -0.390 -5.805 11.503 1.00 63.23 H new ATOM 0 HB3 GLU A 24 -0.780 -6.865 12.843 1.00 63.23 H new ATOM 0 HG2 GLU A 24 -0.876 -7.629 9.900 1.00 15.11 H new ATOM 0 HG3 GLU A 24 0.402 -8.052 11.022 1.00 15.11 H new ATOM 387 N ALA A 25 -2.495 -3.830 12.202 1.00 42.53 N ATOM 388 CA ALA A 25 -2.779 -2.614 12.975 1.00 32.10 C ATOM 389 C ALA A 25 -4.260 -2.507 13.373 1.00 62.23 C ATOM 390 O ALA A 25 -4.588 -1.998 14.444 1.00 12.45 O ATOM 391 CB ALA A 25 -2.368 -1.382 12.176 1.00 3.33 C ATOM 0 H ALA A 25 -2.080 -3.655 11.287 1.00 42.53 H new ATOM 0 HA ALA A 25 -2.197 -2.672 13.895 1.00 32.10 H new ATOM 0 HB1 ALA A 25 -2.582 -0.484 12.756 1.00 3.33 H new ATOM 0 HB2 ALA A 25 -1.301 -1.428 11.959 1.00 3.33 H new ATOM 0 HB3 ALA A 25 -2.927 -1.352 11.241 1.00 3.33 H new ATOM 397 N GLY A 26 -5.149 -2.988 12.509 1.00 44.14 N ATOM 398 CA GLY A 26 -6.580 -2.851 12.755 1.00 54.13 C ATOM 399 C GLY A 26 -7.098 -1.470 12.368 1.00 61.52 C ATOM 400 O GLY A 26 -7.816 -0.824 13.135 1.00 23.42 O ATOM 0 H GLY A 26 -4.908 -3.470 11.643 1.00 44.14 H new ATOM 0 HA2 GLY A 26 -7.119 -3.612 12.190 1.00 54.13 H new ATOM 0 HA3 GLY A 26 -6.785 -3.032 13.810 1.00 54.13 H new ATOM 404 N LEU A 27 -6.719 -1.013 11.178 1.00 54.23 N ATOM 405 CA LEU A 27 -7.104 0.318 10.686 1.00 22.55 C ATOM 406 C LEU A 27 -8.031 0.218 9.467 1.00 53.51 C ATOM 407 O LEU A 27 -8.910 1.058 9.270 1.00 34.03 O ATOM 408 CB LEU A 27 -5.851 1.130 10.327 1.00 61.31 C ATOM 409 CG LEU A 27 -4.901 1.420 11.501 1.00 35.24 C ATOM 410 CD1 LEU A 27 -3.647 2.140 11.019 1.00 4.22 C ATOM 411 CD2 LEU A 27 -5.608 2.239 12.579 1.00 43.03 C ATOM 0 H LEU A 27 -6.141 -1.545 10.528 1.00 54.23 H new ATOM 0 HA LEU A 27 -7.648 0.825 11.483 1.00 22.55 H new ATOM 0 HB2 LEU A 27 -5.298 0.593 9.557 1.00 61.31 H new ATOM 0 HB3 LEU A 27 -6.165 2.079 9.891 1.00 61.31 H new ATOM 0 HG LEU A 27 -4.601 0.466 11.936 1.00 35.24 H new ATOM 0 HD11 LEU A 27 -2.990 2.334 11.867 1.00 4.22 H new ATOM 0 HD12 LEU A 27 -3.126 1.517 10.292 1.00 4.22 H new ATOM 0 HD13 LEU A 27 -3.926 3.085 10.553 1.00 4.22 H new ATOM 0 HD21 LEU A 27 -4.918 2.433 13.400 1.00 43.03 H new ATOM 0 HD22 LEU A 27 -5.943 3.186 12.155 1.00 43.03 H new ATOM 0 HD23 LEU A 27 -6.469 1.684 12.952 1.00 43.03 H new ATOM 423 N LEU A 28 -7.827 -0.808 8.646 1.00 4.52 N ATOM 424 CA LEU A 28 -8.675 -1.032 7.474 1.00 12.43 C ATOM 425 C LEU A 28 -10.046 -1.584 7.886 1.00 34.50 C ATOM 426 O LEU A 28 -10.162 -2.745 8.280 1.00 30.11 O ATOM 427 CB LEU A 28 -7.988 -1.992 6.490 1.00 22.44 C ATOM 428 CG LEU A 28 -6.691 -1.462 5.857 1.00 43.24 C ATOM 429 CD1 LEU A 28 -6.059 -2.514 4.949 1.00 63.33 C ATOM 430 CD2 LEU A 28 -6.960 -0.169 5.086 1.00 11.30 C ATOM 0 H LEU A 28 -7.085 -1.497 8.768 1.00 4.52 H new ATOM 0 HA LEU A 28 -8.828 -0.073 6.979 1.00 12.43 H new ATOM 0 HB2 LEU A 28 -7.765 -2.923 7.011 1.00 22.44 H new ATOM 0 HB3 LEU A 28 -8.691 -2.234 5.692 1.00 22.44 H new ATOM 0 HG LEU A 28 -5.985 -1.242 6.658 1.00 43.24 H new ATOM 0 HD11 LEU A 28 -5.143 -2.115 4.513 1.00 63.33 H new ATOM 0 HD12 LEU A 28 -5.826 -3.405 5.532 1.00 63.33 H new ATOM 0 HD13 LEU A 28 -6.757 -2.774 4.153 1.00 63.33 H new ATOM 0 HD21 LEU A 28 -6.031 0.192 4.645 1.00 11.30 H new ATOM 0 HD22 LEU A 28 -7.686 -0.361 4.296 1.00 11.30 H new ATOM 0 HD23 LEU A 28 -7.355 0.585 5.767 1.00 11.30 H new ATOM 442 N SER A 29 -11.074 -0.734 7.814 1.00 32.11 N ATOM 443 CA SER A 29 -12.455 -1.148 8.124 1.00 54.53 C ATOM 444 C SER A 29 -12.847 -2.405 7.337 1.00 24.32 C ATOM 445 O SER A 29 -12.438 -2.569 6.189 1.00 35.25 O ATOM 446 CB SER A 29 -13.444 -0.020 7.803 1.00 12.31 C ATOM 447 OG SER A 29 -14.787 -0.452 7.972 1.00 41.13 O ATOM 0 H SER A 29 -10.981 0.245 7.544 1.00 32.11 H new ATOM 0 HA SER A 29 -12.496 -1.373 9.190 1.00 54.53 H new ATOM 0 HB2 SER A 29 -13.249 0.834 8.452 1.00 12.31 H new ATOM 0 HB3 SER A 29 -13.294 0.318 6.778 1.00 12.31 H new ATOM 0 HG SER A 29 -15.397 0.286 7.763 1.00 41.13 H new ATOM 453 N ASN A 30 -13.657 -3.271 7.951 1.00 45.31 N ATOM 454 CA ASN A 30 -14.047 -4.559 7.345 1.00 4.22 C ATOM 455 C ASN A 30 -14.550 -4.395 5.899 1.00 23.20 C ATOM 456 O ASN A 30 -14.400 -5.297 5.073 1.00 11.40 O ATOM 457 CB ASN A 30 -15.121 -5.236 8.203 1.00 43.50 C ATOM 458 CG ASN A 30 -14.677 -5.396 9.644 1.00 1.20 C ATOM 459 OD1 ASN A 30 -14.892 -4.518 10.471 1.00 41.12 O ATOM 460 ND2 ASN A 30 -14.035 -6.504 9.953 1.00 63.54 N ATOM 0 H ASN A 30 -14.061 -3.107 8.873 1.00 45.31 H new ATOM 0 HA ASN A 30 -13.156 -5.186 7.308 1.00 4.22 H new ATOM 0 HB2 ASN A 30 -16.037 -4.647 8.169 1.00 43.50 H new ATOM 0 HB3 ASN A 30 -15.356 -6.215 7.785 1.00 43.50 H new ATOM 0 HD21 ASN A 30 -13.700 -6.651 10.905 1.00 63.54 H new ATOM 0 HD22 ASN A 30 -13.873 -7.215 9.240 1.00 63.54 H new ATOM 467 N ALA A 31 -15.153 -3.247 5.600 1.00 1.20 N ATOM 468 CA ALA A 31 -15.578 -2.933 4.230 1.00 72.22 C ATOM 469 C ALA A 31 -14.372 -2.593 3.337 1.00 60.32 C ATOM 470 O ALA A 31 -14.208 -3.160 2.263 1.00 64.10 O ATOM 471 CB ALA A 31 -16.576 -1.781 4.238 1.00 61.11 C ATOM 0 H ALA A 31 -15.360 -2.518 6.283 1.00 1.20 H new ATOM 0 HA ALA A 31 -16.063 -3.817 3.815 1.00 72.22 H new ATOM 0 HB1 ALA A 31 -16.883 -1.558 3.216 1.00 61.11 H new ATOM 0 HB2 ALA A 31 -17.450 -2.061 4.827 1.00 61.11 H new ATOM 0 HB3 ALA A 31 -16.110 -0.899 4.677 1.00 61.11 H new ATOM 477 N GLN A 32 -13.524 -1.673 3.801 1.00 14.34 N ATOM 478 CA GLN A 32 -12.337 -1.244 3.042 1.00 3.23 C ATOM 479 C GLN A 32 -11.369 -2.409 2.783 1.00 23.41 C ATOM 480 O GLN A 32 -10.818 -2.541 1.691 1.00 14.02 O ATOM 481 CB GLN A 32 -11.610 -0.116 3.789 1.00 65.44 C ATOM 482 CG GLN A 32 -12.377 1.204 3.833 1.00 14.24 C ATOM 483 CD GLN A 32 -12.516 1.864 2.466 1.00 31.12 C ATOM 484 OE1 GLN A 32 -12.585 1.202 1.437 1.00 44.42 O ATOM 485 NE2 GLN A 32 -12.534 3.178 2.443 1.00 10.45 N ATOM 0 H GLN A 32 -13.634 -1.207 4.701 1.00 14.34 H new ATOM 0 HA GLN A 32 -12.682 -0.878 2.075 1.00 3.23 H new ATOM 0 HB2 GLN A 32 -11.411 -0.441 4.810 1.00 65.44 H new ATOM 0 HB3 GLN A 32 -10.644 0.054 3.315 1.00 65.44 H new ATOM 0 HG2 GLN A 32 -13.370 1.026 4.246 1.00 14.24 H new ATOM 0 HG3 GLN A 32 -11.868 1.890 4.510 1.00 14.24 H new ATOM 0 HE21 GLN A 32 -12.475 3.704 3.315 1.00 10.45 H new ATOM 0 HE22 GLN A 32 -12.607 3.672 1.553 1.00 10.45 H new ATOM 494 N GLU A 33 -11.166 -3.238 3.803 1.00 23.53 N ATOM 495 CA GLU A 33 -10.313 -4.426 3.705 1.00 63.25 C ATOM 496 C GLU A 33 -10.848 -5.371 2.612 1.00 10.51 C ATOM 497 O GLU A 33 -10.137 -5.729 1.670 1.00 0.51 O ATOM 498 CB GLU A 33 -10.284 -5.118 5.085 1.00 75.14 C ATOM 499 CG GLU A 33 -9.148 -6.120 5.300 1.00 35.00 C ATOM 500 CD GLU A 33 -9.364 -7.458 4.609 1.00 13.54 C ATOM 501 OE1 GLU A 33 -10.488 -7.997 4.674 1.00 22.24 O ATOM 502 OE2 GLU A 33 -8.396 -7.996 4.035 1.00 42.13 O ATOM 0 H GLU A 33 -11.587 -3.108 4.723 1.00 23.53 H new ATOM 0 HA GLU A 33 -9.298 -4.146 3.425 1.00 63.25 H new ATOM 0 HB2 GLU A 33 -10.217 -4.350 5.855 1.00 75.14 H new ATOM 0 HB3 GLU A 33 -11.232 -5.635 5.232 1.00 75.14 H new ATOM 0 HG2 GLU A 33 -8.218 -5.682 4.938 1.00 35.00 H new ATOM 0 HG3 GLU A 33 -9.025 -6.291 6.370 1.00 35.00 H new ATOM 509 N GLU A 34 -12.127 -5.725 2.737 1.00 74.40 N ATOM 510 CA GLU A 34 -12.825 -6.559 1.751 1.00 32.05 C ATOM 511 C GLU A 34 -12.697 -5.997 0.323 1.00 71.14 C ATOM 512 O GLU A 34 -12.300 -6.707 -0.608 1.00 65.35 O ATOM 513 CB GLU A 34 -14.305 -6.657 2.143 1.00 42.33 C ATOM 514 CG GLU A 34 -15.178 -7.391 1.134 1.00 71.12 C ATOM 515 CD GLU A 34 -16.638 -7.427 1.552 1.00 42.34 C ATOM 516 OE1 GLU A 34 -16.989 -8.244 2.427 1.00 21.31 O ATOM 517 OE2 GLU A 34 -17.436 -6.622 1.028 1.00 14.20 O ATOM 0 H GLU A 34 -12.711 -5.443 3.524 1.00 74.40 H new ATOM 0 HA GLU A 34 -12.364 -7.547 1.751 1.00 32.05 H new ATOM 0 HB2 GLU A 34 -14.380 -7.163 3.106 1.00 42.33 H new ATOM 0 HB3 GLU A 34 -14.699 -5.650 2.281 1.00 42.33 H new ATOM 0 HG2 GLU A 34 -15.093 -6.905 0.162 1.00 71.12 H new ATOM 0 HG3 GLU A 34 -14.812 -8.411 1.014 1.00 71.12 H new ATOM 524 N VAL A 35 -13.043 -4.718 0.159 1.00 52.51 N ATOM 525 CA VAL A 35 -12.960 -4.043 -1.144 1.00 10.33 C ATOM 526 C VAL A 35 -11.525 -4.042 -1.698 1.00 73.33 C ATOM 527 O VAL A 35 -11.309 -4.266 -2.893 1.00 44.50 O ATOM 528 CB VAL A 35 -13.469 -2.580 -1.054 1.00 23.43 C ATOM 529 CG1 VAL A 35 -13.252 -1.831 -2.371 1.00 63.42 C ATOM 530 CG2 VAL A 35 -14.943 -2.548 -0.651 1.00 72.51 C ATOM 0 H VAL A 35 -13.385 -4.124 0.915 1.00 52.51 H new ATOM 0 HA VAL A 35 -13.598 -4.607 -1.824 1.00 10.33 H new ATOM 0 HB VAL A 35 -12.888 -2.072 -0.285 1.00 23.43 H new ATOM 0 HG11 VAL A 35 -13.620 -0.809 -2.273 1.00 63.42 H new ATOM 0 HG12 VAL A 35 -12.188 -1.813 -2.608 1.00 63.42 H new ATOM 0 HG13 VAL A 35 -13.793 -2.337 -3.171 1.00 63.42 H new ATOM 0 HG21 VAL A 35 -15.282 -1.514 -0.593 1.00 72.51 H new ATOM 0 HG22 VAL A 35 -15.535 -3.083 -1.394 1.00 72.51 H new ATOM 0 HG23 VAL A 35 -15.065 -3.025 0.322 1.00 72.51 H new ATOM 540 N MET A 36 -10.551 -3.787 -0.828 1.00 61.44 N ATOM 541 CA MET A 36 -9.144 -3.750 -1.234 1.00 54.31 C ATOM 542 C MET A 36 -8.694 -5.111 -1.789 1.00 10.41 C ATOM 543 O MET A 36 -8.011 -5.175 -2.813 1.00 45.22 O ATOM 544 CB MET A 36 -8.260 -3.324 -0.053 1.00 55.11 C ATOM 545 CG MET A 36 -6.809 -3.056 -0.431 1.00 42.41 C ATOM 546 SD MET A 36 -5.834 -2.429 0.952 1.00 40.11 S ATOM 547 CE MET A 36 -6.693 -0.901 1.326 1.00 13.40 C ATOM 0 H MET A 36 -10.708 -3.603 0.163 1.00 61.44 H new ATOM 0 HA MET A 36 -9.037 -3.014 -2.031 1.00 54.31 H new ATOM 0 HB2 MET A 36 -8.680 -2.424 0.396 1.00 55.11 H new ATOM 0 HB3 MET A 36 -8.288 -4.103 0.709 1.00 55.11 H new ATOM 0 HG2 MET A 36 -6.358 -3.977 -0.800 1.00 42.41 H new ATOM 0 HG3 MET A 36 -6.778 -2.336 -1.248 1.00 42.41 H new ATOM 0 HE1 MET A 36 -5.978 -0.159 1.681 1.00 13.40 H new ATOM 0 HE2 MET A 36 -7.184 -0.530 0.426 1.00 13.40 H new ATOM 0 HE3 MET A 36 -7.440 -1.083 2.098 1.00 13.40 H new ATOM 557 N ASN A 37 -9.102 -6.192 -1.118 1.00 41.22 N ATOM 558 CA ASN A 37 -8.833 -7.560 -1.593 1.00 32.21 C ATOM 559 C ASN A 37 -9.309 -7.748 -3.043 1.00 2.22 C ATOM 560 O ASN A 37 -8.555 -8.201 -3.906 1.00 22.10 O ATOM 561 CB ASN A 37 -9.538 -8.580 -0.690 1.00 31.43 C ATOM 562 CG ASN A 37 -9.071 -8.506 0.749 1.00 43.22 C ATOM 563 OD1 ASN A 37 -7.923 -8.198 1.023 1.00 60.21 O ATOM 564 ND2 ASN A 37 -9.956 -8.792 1.681 1.00 41.35 N ATOM 0 H ASN A 37 -9.622 -6.150 -0.241 1.00 41.22 H new ATOM 0 HA ASN A 37 -7.755 -7.720 -1.557 1.00 32.21 H new ATOM 0 HB2 ASN A 37 -10.614 -8.410 -0.728 1.00 31.43 H new ATOM 0 HB3 ASN A 37 -9.360 -9.584 -1.075 1.00 31.43 H new ATOM 0 HD21 ASN A 37 -9.689 -8.759 2.665 1.00 41.35 H new ATOM 0 HD22 ASN A 37 -10.908 -9.046 1.419 1.00 41.35 H new ATOM 571 N GLY A 38 -10.568 -7.395 -3.298 1.00 44.41 N ATOM 572 CA GLY A 38 -11.127 -7.510 -4.640 1.00 34.04 C ATOM 573 C GLY A 38 -10.372 -6.683 -5.681 1.00 44.34 C ATOM 574 O GLY A 38 -10.197 -7.118 -6.823 1.00 1.44 O ATOM 0 H GLY A 38 -11.214 -7.030 -2.598 1.00 44.41 H new ATOM 0 HA2 GLY A 38 -11.118 -8.557 -4.942 1.00 34.04 H new ATOM 0 HA3 GLY A 38 -12.170 -7.193 -4.620 1.00 34.04 H new ATOM 578 N ARG A 39 -9.925 -5.487 -5.289 1.00 44.11 N ATOM 579 CA ARG A 39 -9.152 -4.617 -6.183 1.00 42.05 C ATOM 580 C ARG A 39 -7.799 -5.247 -6.549 1.00 23.22 C ATOM 581 O ARG A 39 -7.480 -5.407 -7.726 1.00 61.21 O ATOM 582 CB ARG A 39 -8.922 -3.241 -5.533 1.00 24.13 C ATOM 583 CG ARG A 39 -10.184 -2.393 -5.405 1.00 71.14 C ATOM 584 CD ARG A 39 -9.899 -1.049 -4.738 1.00 24.43 C ATOM 585 NE ARG A 39 -11.081 -0.189 -4.711 1.00 33.31 N ATOM 586 CZ ARG A 39 -11.177 0.926 -4.031 1.00 3.12 C ATOM 587 NH1 ARG A 39 -10.199 1.340 -3.286 1.00 60.14 N ATOM 588 NH2 ARG A 39 -12.257 1.631 -4.105 1.00 21.44 N ATOM 0 H ARG A 39 -10.084 -5.098 -4.360 1.00 44.11 H new ATOM 0 HA ARG A 39 -9.732 -4.492 -7.097 1.00 42.05 H new ATOM 0 HB2 ARG A 39 -8.493 -3.387 -4.542 1.00 24.13 H new ATOM 0 HB3 ARG A 39 -8.186 -2.692 -6.121 1.00 24.13 H new ATOM 0 HG2 ARG A 39 -10.611 -2.225 -6.394 1.00 71.14 H new ATOM 0 HG3 ARG A 39 -10.930 -2.936 -4.824 1.00 71.14 H new ATOM 0 HD2 ARG A 39 -9.550 -1.217 -3.719 1.00 24.43 H new ATOM 0 HD3 ARG A 39 -9.095 -0.543 -5.272 1.00 24.43 H new ATOM 0 HE ARG A 39 -11.889 -0.478 -5.262 1.00 33.31 H new ATOM 0 HH11 ARG A 39 -9.339 0.795 -3.224 1.00 60.14 H new ATOM 0 HH12 ARG A 39 -10.290 2.211 -2.763 1.00 60.14 H new ATOM 0 HH21 ARG A 39 -13.031 1.319 -4.691 1.00 21.44 H new ATOM 0 HH22 ARG A 39 -12.336 2.500 -3.577 1.00 21.44 H new ATOM 602 N LEU A 40 -7.017 -5.613 -5.532 1.00 55.14 N ATOM 603 CA LEU A 40 -5.681 -6.187 -5.742 1.00 12.13 C ATOM 604 C LEU A 40 -5.751 -7.483 -6.567 1.00 31.31 C ATOM 605 O LEU A 40 -4.955 -7.696 -7.487 1.00 41.23 O ATOM 606 CB LEU A 40 -5.004 -6.457 -4.389 1.00 42.23 C ATOM 607 CG LEU A 40 -4.883 -5.238 -3.459 1.00 51.42 C ATOM 608 CD1 LEU A 40 -4.162 -5.611 -2.168 1.00 0.13 C ATOM 609 CD2 LEU A 40 -4.170 -4.087 -4.161 1.00 72.54 C ATOM 0 H LEU A 40 -7.284 -5.523 -4.552 1.00 55.14 H new ATOM 0 HA LEU A 40 -5.089 -5.464 -6.303 1.00 12.13 H new ATOM 0 HB2 LEU A 40 -5.564 -7.235 -3.870 1.00 42.23 H new ATOM 0 HB3 LEU A 40 -4.005 -6.853 -4.574 1.00 42.23 H new ATOM 0 HG LEU A 40 -5.890 -4.908 -3.204 1.00 51.42 H new ATOM 0 HD11 LEU A 40 -4.088 -4.733 -1.526 1.00 0.13 H new ATOM 0 HD12 LEU A 40 -4.720 -6.392 -1.652 1.00 0.13 H new ATOM 0 HD13 LEU A 40 -3.161 -5.975 -2.402 1.00 0.13 H new ATOM 0 HD21 LEU A 40 -4.097 -3.237 -3.483 1.00 72.54 H new ATOM 0 HD22 LEU A 40 -3.169 -4.404 -4.455 1.00 72.54 H new ATOM 0 HD23 LEU A 40 -4.734 -3.797 -5.048 1.00 72.54 H new ATOM 621 N ARG A 41 -6.715 -8.338 -6.233 1.00 24.21 N ATOM 622 CA ARG A 41 -6.946 -9.582 -6.974 1.00 34.32 C ATOM 623 C ARG A 41 -7.222 -9.298 -8.461 1.00 14.13 C ATOM 624 O ARG A 41 -6.665 -9.952 -9.350 1.00 10.40 O ATOM 625 CB ARG A 41 -8.133 -10.336 -6.361 1.00 3.12 C ATOM 626 CG ARG A 41 -8.340 -11.739 -6.920 1.00 14.41 C ATOM 627 CD ARG A 41 -9.635 -12.358 -6.407 1.00 64.43 C ATOM 628 NE ARG A 41 -9.734 -12.301 -4.948 1.00 33.04 N ATOM 629 CZ ARG A 41 -10.803 -12.623 -4.272 1.00 75.20 C ATOM 630 NH1 ARG A 41 -11.856 -13.064 -4.881 1.00 30.35 N ATOM 631 NH2 ARG A 41 -10.807 -12.526 -2.982 1.00 74.14 N ATOM 0 H ARG A 41 -7.353 -8.193 -5.451 1.00 24.21 H new ATOM 0 HA ARG A 41 -6.047 -10.194 -6.905 1.00 34.32 H new ATOM 0 HB2 ARG A 41 -7.987 -10.405 -5.283 1.00 3.12 H new ATOM 0 HB3 ARG A 41 -9.041 -9.755 -6.524 1.00 3.12 H new ATOM 0 HG2 ARG A 41 -8.361 -11.699 -8.009 1.00 14.41 H new ATOM 0 HG3 ARG A 41 -7.497 -12.371 -6.641 1.00 14.41 H new ATOM 0 HD2 ARG A 41 -10.485 -11.837 -6.848 1.00 64.43 H new ATOM 0 HD3 ARG A 41 -9.694 -13.396 -6.733 1.00 64.43 H new ATOM 0 HE ARG A 41 -8.915 -11.990 -4.426 1.00 33.04 H new ATOM 0 HH11 ARG A 41 -11.854 -13.162 -5.896 1.00 30.35 H new ATOM 0 HH12 ARG A 41 -12.688 -13.314 -4.346 1.00 30.35 H new ATOM 0 HH21 ARG A 41 -9.974 -12.198 -2.493 1.00 74.14 H new ATOM 0 HH22 ARG A 41 -11.643 -12.778 -2.454 1.00 74.14 H new ATOM 645 N ALA A 42 -8.086 -8.315 -8.721 1.00 42.55 N ATOM 646 CA ALA A 42 -8.421 -7.911 -10.091 1.00 62.41 C ATOM 647 C ALA A 42 -7.187 -7.391 -10.843 1.00 13.23 C ATOM 648 O ALA A 42 -6.930 -7.787 -11.979 1.00 22.10 O ATOM 649 CB ALA A 42 -9.515 -6.851 -10.075 1.00 24.35 C ATOM 0 H ALA A 42 -8.569 -7.781 -7.999 1.00 42.55 H new ATOM 0 HA ALA A 42 -8.785 -8.792 -10.619 1.00 62.41 H new ATOM 0 HB1 ALA A 42 -9.754 -6.560 -11.098 1.00 24.35 H new ATOM 0 HB2 ALA A 42 -10.406 -7.255 -9.595 1.00 24.35 H new ATOM 0 HB3 ALA A 42 -9.168 -5.979 -9.521 1.00 24.35 H new ATOM 655 N ILE A 43 -6.423 -6.510 -10.194 1.00 44.43 N ATOM 656 CA ILE A 43 -5.200 -5.947 -10.786 1.00 63.10 C ATOM 657 C ILE A 43 -4.220 -7.055 -11.208 1.00 13.14 C ATOM 658 O ILE A 43 -3.699 -7.051 -12.326 1.00 33.21 O ATOM 659 CB ILE A 43 -4.484 -4.986 -9.801 1.00 64.23 C ATOM 660 CG1 ILE A 43 -5.407 -3.815 -9.423 1.00 65.21 C ATOM 661 CG2 ILE A 43 -3.177 -4.470 -10.403 1.00 54.20 C ATOM 662 CD1 ILE A 43 -4.817 -2.876 -8.392 1.00 44.32 C ATOM 0 H ILE A 43 -6.628 -6.168 -9.255 1.00 44.43 H new ATOM 0 HA ILE A 43 -5.509 -5.387 -11.669 1.00 63.10 H new ATOM 0 HB ILE A 43 -4.245 -5.541 -8.894 1.00 64.23 H new ATOM 0 HG12 ILE A 43 -5.645 -3.248 -10.323 1.00 65.21 H new ATOM 0 HG13 ILE A 43 -6.346 -4.215 -9.041 1.00 65.21 H new ATOM 0 HG21 ILE A 43 -2.691 -3.798 -9.696 1.00 54.20 H new ATOM 0 HG22 ILE A 43 -2.517 -5.311 -10.616 1.00 54.20 H new ATOM 0 HG23 ILE A 43 -3.389 -3.932 -11.327 1.00 54.20 H new ATOM 0 HD11 ILE A 43 -5.527 -2.077 -8.178 1.00 44.32 H new ATOM 0 HD12 ILE A 43 -4.605 -3.428 -7.476 1.00 44.32 H new ATOM 0 HD13 ILE A 43 -3.893 -2.446 -8.778 1.00 44.32 H new ATOM 674 N ARG A 44 -3.988 -8.010 -10.310 1.00 52.31 N ATOM 675 CA ARG A 44 -3.093 -9.140 -10.587 1.00 14.15 C ATOM 676 C ARG A 44 -3.632 -9.988 -11.751 1.00 53.32 C ATOM 677 O ARG A 44 -2.871 -10.526 -12.552 1.00 64.51 O ATOM 678 CB ARG A 44 -2.945 -10.013 -9.326 1.00 54.21 C ATOM 679 CG ARG A 44 -1.568 -10.656 -9.156 1.00 73.14 C ATOM 680 CD ARG A 44 -1.212 -11.640 -10.271 1.00 74.13 C ATOM 681 NE ARG A 44 0.181 -12.080 -10.180 1.00 15.13 N ATOM 682 CZ ARG A 44 0.678 -13.107 -10.814 1.00 23.33 C ATOM 683 NH1 ARG A 44 -0.076 -13.857 -11.553 1.00 12.22 N ATOM 684 NH2 ARG A 44 1.939 -13.388 -10.704 1.00 31.43 N ATOM 0 H ARG A 44 -4.407 -8.027 -9.380 1.00 52.31 H new ATOM 0 HA ARG A 44 -2.117 -8.747 -10.870 1.00 14.15 H new ATOM 0 HB2 ARG A 44 -3.157 -9.401 -8.449 1.00 54.21 H new ATOM 0 HB3 ARG A 44 -3.698 -10.800 -9.354 1.00 54.21 H new ATOM 0 HG2 ARG A 44 -0.812 -9.872 -9.119 1.00 73.14 H new ATOM 0 HG3 ARG A 44 -1.534 -11.176 -8.199 1.00 73.14 H new ATOM 0 HD2 ARG A 44 -1.872 -12.506 -10.216 1.00 74.13 H new ATOM 0 HD3 ARG A 44 -1.383 -11.170 -11.240 1.00 74.13 H new ATOM 0 HE ARG A 44 0.808 -11.546 -9.578 1.00 15.13 H new ATOM 0 HH11 ARG A 44 -1.070 -13.648 -11.645 1.00 12.22 H new ATOM 0 HH12 ARG A 44 0.324 -14.657 -12.043 1.00 12.22 H new ATOM 0 HH21 ARG A 44 2.542 -12.807 -10.122 1.00 31.43 H new ATOM 0 HH22 ARG A 44 2.328 -14.190 -11.199 1.00 31.43 H new ATOM 698 N SER A 45 -4.951 -10.089 -11.838 1.00 34.23 N ATOM 699 CA SER A 45 -5.605 -10.934 -12.844 1.00 44.24 C ATOM 700 C SER A 45 -5.882 -10.171 -14.150 1.00 62.01 C ATOM 701 O SER A 45 -6.402 -10.739 -15.112 1.00 43.31 O ATOM 702 CB SER A 45 -6.916 -11.484 -12.271 1.00 42.13 C ATOM 703 OG SER A 45 -6.687 -12.286 -11.121 1.00 44.01 O ATOM 0 H SER A 45 -5.598 -9.595 -11.223 1.00 34.23 H new ATOM 0 HA SER A 45 -4.928 -11.753 -13.085 1.00 44.24 H new ATOM 0 HB2 SER A 45 -7.577 -10.656 -12.013 1.00 42.13 H new ATOM 0 HB3 SER A 45 -7.427 -12.074 -13.031 1.00 42.13 H new ATOM 0 HG SER A 45 -6.632 -11.713 -10.328 1.00 44.01 H new ATOM 709 N SER A 46 -5.543 -8.883 -14.183 1.00 41.53 N ATOM 710 CA SER A 46 -5.756 -8.044 -15.375 1.00 73.43 C ATOM 711 C SER A 46 -4.441 -7.430 -15.874 1.00 40.24 C ATOM 712 O SER A 46 -4.008 -7.685 -16.999 1.00 44.13 O ATOM 713 CB SER A 46 -6.758 -6.922 -15.063 1.00 40.42 C ATOM 714 OG SER A 46 -6.299 -6.105 -13.996 1.00 73.11 O ATOM 0 H SER A 46 -5.118 -8.391 -13.398 1.00 41.53 H new ATOM 0 HA SER A 46 -6.155 -8.685 -16.161 1.00 73.43 H new ATOM 0 HB2 SER A 46 -6.912 -6.311 -15.952 1.00 40.42 H new ATOM 0 HB3 SER A 46 -7.724 -7.355 -14.803 1.00 40.42 H new ATOM 0 HG SER A 46 -6.479 -6.550 -13.142 1.00 73.11 H new ATOM 720 N HIS A 47 -3.813 -6.613 -15.035 1.00 64.11 N ATOM 721 CA HIS A 47 -2.544 -5.962 -15.383 1.00 42.45 C ATOM 722 C HIS A 47 -1.333 -6.796 -14.923 1.00 41.12 C ATOM 723 O HIS A 47 -0.181 -6.415 -15.147 1.00 73.14 O ATOM 724 CB HIS A 47 -2.488 -4.565 -14.754 1.00 72.20 C ATOM 725 CG HIS A 47 -3.672 -3.708 -15.096 1.00 0.12 C ATOM 726 ND1 HIS A 47 -3.799 -3.122 -16.329 1.00 71.05 N ATOM 727 CD2 HIS A 47 -4.746 -3.376 -14.340 1.00 21.11 C ATOM 728 CE1 HIS A 47 -4.935 -2.450 -16.299 1.00 12.44 C ATOM 729 NE2 HIS A 47 -5.545 -2.573 -15.113 1.00 54.12 N ATOM 0 H HIS A 47 -4.160 -6.382 -14.104 1.00 64.11 H new ATOM 0 HA HIS A 47 -2.496 -5.878 -16.469 1.00 42.45 H new ATOM 0 HB2 HIS A 47 -2.422 -4.665 -13.671 1.00 72.20 H new ATOM 0 HB3 HIS A 47 -1.578 -4.063 -15.083 1.00 72.20 H new ATOM 0 HD2 HIS A 47 -4.937 -3.685 -13.323 1.00 21.11 H new ATOM 0 HE1 HIS A 47 -5.323 -1.874 -17.126 1.00 12.44 H new ATOM 0 HE2 HIS A 47 -6.432 -2.151 -14.838 1.00 54.12 H new ATOM 737 N ALA A 48 -1.610 -7.923 -14.259 1.00 3.02 N ATOM 738 CA ALA A 48 -0.570 -8.859 -13.792 1.00 71.23 C ATOM 739 C ALA A 48 0.325 -8.254 -12.695 1.00 52.42 C ATOM 740 O ALA A 48 1.354 -8.829 -12.329 1.00 22.42 O ATOM 741 CB ALA A 48 0.275 -9.352 -14.965 1.00 2.22 C ATOM 0 H ALA A 48 -2.559 -8.216 -14.028 1.00 3.02 H new ATOM 0 HA ALA A 48 -1.087 -9.708 -13.344 1.00 71.23 H new ATOM 0 HB1 ALA A 48 1.037 -10.041 -14.600 1.00 2.22 H new ATOM 0 HB2 ALA A 48 -0.364 -9.865 -15.684 1.00 2.22 H new ATOM 0 HB3 ALA A 48 0.756 -8.502 -15.449 1.00 2.22 H new ATOM 747 N VAL A 49 -0.083 -7.108 -12.156 1.00 13.33 N ATOM 748 CA VAL A 49 0.692 -6.418 -11.123 1.00 72.23 C ATOM 749 C VAL A 49 0.458 -7.033 -9.734 1.00 42.53 C ATOM 750 O VAL A 49 -0.662 -7.027 -9.217 1.00 51.12 O ATOM 751 CB VAL A 49 0.345 -4.908 -11.070 1.00 53.22 C ATOM 752 CG1 VAL A 49 1.160 -4.197 -9.987 1.00 12.31 C ATOM 753 CG2 VAL A 49 0.565 -4.257 -12.435 1.00 55.03 C ATOM 0 H VAL A 49 -0.948 -6.635 -12.417 1.00 13.33 H new ATOM 0 HA VAL A 49 1.741 -6.537 -11.392 1.00 72.23 H new ATOM 0 HB VAL A 49 -0.710 -4.810 -10.813 1.00 53.22 H new ATOM 0 HG11 VAL A 49 0.898 -3.139 -9.970 1.00 12.31 H new ATOM 0 HG12 VAL A 49 0.940 -4.641 -9.016 1.00 12.31 H new ATOM 0 HG13 VAL A 49 2.223 -4.304 -10.202 1.00 12.31 H new ATOM 0 HG21 VAL A 49 0.316 -3.197 -12.377 1.00 55.03 H new ATOM 0 HG22 VAL A 49 1.609 -4.369 -12.727 1.00 55.03 H new ATOM 0 HG23 VAL A 49 -0.073 -4.740 -13.175 1.00 55.03 H new ATOM 763 N GLU A 50 1.516 -7.569 -9.139 1.00 43.24 N ATOM 764 CA GLU A 50 1.443 -8.114 -7.781 1.00 4.41 C ATOM 765 C GLU A 50 1.485 -6.981 -6.745 1.00 74.11 C ATOM 766 O GLU A 50 2.550 -6.487 -6.377 1.00 62.45 O ATOM 767 CB GLU A 50 2.575 -9.130 -7.564 1.00 74.32 C ATOM 768 CG GLU A 50 2.343 -10.436 -8.323 1.00 50.21 C ATOM 769 CD GLU A 50 3.573 -11.324 -8.420 1.00 72.34 C ATOM 770 OE1 GLU A 50 4.155 -11.673 -7.373 1.00 34.45 O ATOM 771 OE2 GLU A 50 3.941 -11.700 -9.555 1.00 10.00 O ATOM 0 H GLU A 50 2.437 -7.640 -9.572 1.00 43.24 H new ATOM 0 HA GLU A 50 0.495 -8.636 -7.652 1.00 4.41 H new ATOM 0 HB2 GLU A 50 3.520 -8.690 -7.884 1.00 74.32 H new ATOM 0 HB3 GLU A 50 2.668 -9.344 -6.499 1.00 74.32 H new ATOM 0 HG2 GLU A 50 1.544 -10.992 -7.832 1.00 50.21 H new ATOM 0 HG3 GLU A 50 1.997 -10.202 -9.330 1.00 50.21 H new ATOM 778 N PHE A 51 0.302 -6.577 -6.292 1.00 30.10 N ATOM 779 CA PHE A 51 0.132 -5.399 -5.429 1.00 11.54 C ATOM 780 C PHE A 51 -0.333 -5.816 -4.020 1.00 43.41 C ATOM 781 O PHE A 51 -1.484 -6.197 -3.829 1.00 13.23 O ATOM 782 CB PHE A 51 -0.901 -4.468 -6.096 1.00 71.34 C ATOM 783 CG PHE A 51 -1.028 -3.069 -5.526 1.00 5.34 C ATOM 784 CD1 PHE A 51 -0.415 -2.692 -4.336 1.00 51.04 C ATOM 785 CD2 PHE A 51 -1.786 -2.121 -6.204 1.00 64.02 C ATOM 786 CE1 PHE A 51 -0.557 -1.406 -3.842 1.00 21.31 C ATOM 787 CE2 PHE A 51 -1.930 -0.840 -5.714 1.00 11.52 C ATOM 788 CZ PHE A 51 -1.317 -0.482 -4.534 1.00 73.21 C ATOM 0 H PHE A 51 -0.572 -7.055 -6.510 1.00 30.10 H new ATOM 0 HA PHE A 51 1.083 -4.879 -5.312 1.00 11.54 H new ATOM 0 HB2 PHE A 51 -0.649 -4.383 -7.153 1.00 71.34 H new ATOM 0 HB3 PHE A 51 -1.878 -4.948 -6.039 1.00 71.34 H new ATOM 0 HD1 PHE A 51 0.179 -3.411 -3.791 1.00 51.04 H new ATOM 0 HD2 PHE A 51 -2.270 -2.392 -7.130 1.00 64.02 H new ATOM 0 HE1 PHE A 51 -0.075 -1.126 -2.917 1.00 21.31 H new ATOM 0 HE2 PHE A 51 -2.523 -0.118 -6.255 1.00 11.52 H new ATOM 0 HZ PHE A 51 -1.430 0.521 -4.149 1.00 73.21 H new ATOM 798 N ALA A 52 0.567 -5.734 -3.041 1.00 12.31 N ATOM 799 CA ALA A 52 0.263 -6.161 -1.666 1.00 45.21 C ATOM 800 C ALA A 52 0.217 -4.969 -0.695 1.00 22.35 C ATOM 801 O ALA A 52 0.981 -4.013 -0.835 1.00 11.13 O ATOM 802 CB ALA A 52 1.290 -7.186 -1.196 1.00 53.32 C ATOM 0 H ALA A 52 1.514 -5.377 -3.169 1.00 12.31 H new ATOM 0 HA ALA A 52 -0.726 -6.619 -1.672 1.00 45.21 H new ATOM 0 HB1 ALA A 52 1.056 -7.495 -0.177 1.00 53.32 H new ATOM 0 HB2 ALA A 52 1.264 -8.055 -1.854 1.00 53.32 H new ATOM 0 HB3 ALA A 52 2.285 -6.742 -1.220 1.00 53.32 H new ATOM 808 N VAL A 53 -0.678 -5.037 0.295 1.00 60.25 N ATOM 809 CA VAL A 53 -0.846 -3.954 1.280 1.00 10.42 C ATOM 810 C VAL A 53 -0.759 -4.487 2.723 1.00 11.40 C ATOM 811 O VAL A 53 -1.451 -5.435 3.085 1.00 11.11 O ATOM 812 CB VAL A 53 -2.206 -3.226 1.089 1.00 11.01 C ATOM 813 CG1 VAL A 53 -2.370 -2.095 2.106 1.00 11.53 C ATOM 814 CG2 VAL A 53 -2.344 -2.696 -0.339 1.00 65.21 C ATOM 0 H VAL A 53 -1.301 -5.832 0.439 1.00 60.25 H new ATOM 0 HA VAL A 53 -0.033 -3.247 1.112 1.00 10.42 H new ATOM 0 HB VAL A 53 -3.002 -3.951 1.260 1.00 11.01 H new ATOM 0 HG11 VAL A 53 -3.330 -1.602 1.950 1.00 11.53 H new ATOM 0 HG12 VAL A 53 -2.332 -2.505 3.115 1.00 11.53 H new ATOM 0 HG13 VAL A 53 -1.565 -1.371 1.978 1.00 11.53 H new ATOM 0 HG21 VAL A 53 -3.304 -2.191 -0.448 1.00 65.21 H new ATOM 0 HG22 VAL A 53 -1.538 -1.992 -0.545 1.00 65.21 H new ATOM 0 HG23 VAL A 53 -2.289 -3.527 -1.042 1.00 65.21 H new ATOM 824 N VAL A 54 0.090 -3.865 3.545 1.00 33.43 N ATOM 825 CA VAL A 54 0.287 -4.287 4.944 1.00 63.23 C ATOM 826 C VAL A 54 0.174 -3.096 5.917 1.00 43.22 C ATOM 827 O VAL A 54 0.733 -2.027 5.670 1.00 73.02 O ATOM 828 CB VAL A 54 1.674 -4.960 5.137 1.00 23.54 C ATOM 829 CG1 VAL A 54 1.869 -5.412 6.586 1.00 2.20 C ATOM 830 CG2 VAL A 54 1.852 -6.133 4.173 1.00 30.40 C ATOM 0 H VAL A 54 0.657 -3.063 3.269 1.00 33.43 H new ATOM 0 HA VAL A 54 -0.501 -5.006 5.167 1.00 63.23 H new ATOM 0 HB VAL A 54 2.439 -4.218 4.911 1.00 23.54 H new ATOM 0 HG11 VAL A 54 2.848 -5.880 6.693 1.00 2.20 H new ATOM 0 HG12 VAL A 54 1.805 -4.549 7.248 1.00 2.20 H new ATOM 0 HG13 VAL A 54 1.093 -6.130 6.851 1.00 2.20 H new ATOM 0 HG21 VAL A 54 2.831 -6.587 4.329 1.00 30.40 H new ATOM 0 HG22 VAL A 54 1.075 -6.875 4.356 1.00 30.40 H new ATOM 0 HG23 VAL A 54 1.777 -5.775 3.146 1.00 30.40 H new ATOM 840 N THR A 55 -0.553 -3.282 7.024 1.00 61.31 N ATOM 841 CA THR A 55 -0.700 -2.231 8.049 1.00 73.43 C ATOM 842 C THR A 55 -0.191 -2.702 9.420 1.00 60.22 C ATOM 843 O THR A 55 -0.627 -3.735 9.939 1.00 42.31 O ATOM 844 CB THR A 55 -2.175 -1.781 8.214 1.00 54.15 C ATOM 845 OG1 THR A 55 -2.957 -2.840 8.783 1.00 12.43 O ATOM 846 CG2 THR A 55 -2.779 -1.369 6.876 1.00 2.43 C ATOM 0 H THR A 55 -1.050 -4.147 7.237 1.00 61.31 H new ATOM 0 HA THR A 55 -0.100 -1.391 7.699 1.00 73.43 H new ATOM 0 HB THR A 55 -2.186 -0.919 8.881 1.00 54.15 H new ATOM 0 HG1 THR A 55 -3.903 -2.584 8.784 1.00 12.43 H new ATOM 0 HG21 THR A 55 -3.813 -1.059 7.024 1.00 2.43 H new ATOM 0 HG22 THR A 55 -2.208 -0.540 6.459 1.00 2.43 H new ATOM 0 HG23 THR A 55 -2.748 -2.214 6.188 1.00 2.43 H new ATOM 854 N LEU A 56 0.731 -1.940 10.011 1.00 71.20 N ATOM 855 CA LEU A 56 1.252 -2.247 11.352 1.00 22.14 C ATOM 856 C LEU A 56 1.139 -1.030 12.286 1.00 3.21 C ATOM 857 O LEU A 56 1.286 0.112 11.850 1.00 64.00 O ATOM 858 CB LEU A 56 2.720 -2.687 11.284 1.00 23.43 C ATOM 859 CG LEU A 56 3.017 -3.931 10.431 1.00 64.21 C ATOM 860 CD1 LEU A 56 4.506 -4.242 10.457 1.00 62.15 C ATOM 861 CD2 LEU A 56 2.214 -5.135 10.913 1.00 61.25 C ATOM 0 H LEU A 56 1.135 -1.105 9.586 1.00 71.20 H new ATOM 0 HA LEU A 56 0.647 -3.062 11.750 1.00 22.14 H new ATOM 0 HB2 LEU A 56 3.309 -1.856 10.895 1.00 23.43 H new ATOM 0 HB3 LEU A 56 3.068 -2.877 12.299 1.00 23.43 H new ATOM 0 HG LEU A 56 2.718 -3.718 9.405 1.00 64.21 H new ATOM 0 HD11 LEU A 56 4.704 -5.125 9.849 1.00 62.15 H new ATOM 0 HD12 LEU A 56 5.062 -3.394 10.057 1.00 62.15 H new ATOM 0 HD13 LEU A 56 4.821 -4.430 11.484 1.00 62.15 H new ATOM 0 HD21 LEU A 56 2.445 -5.999 10.290 1.00 61.25 H new ATOM 0 HD22 LEU A 56 2.473 -5.354 11.949 1.00 61.25 H new ATOM 0 HD23 LEU A 56 1.149 -4.913 10.845 1.00 61.25 H new ATOM 873 N PRO A 57 0.885 -1.256 13.594 1.00 1.12 N ATOM 874 CA PRO A 57 0.780 -0.162 14.574 1.00 30.23 C ATOM 875 C PRO A 57 2.141 0.486 14.902 1.00 20.11 C ATOM 876 O PRO A 57 2.267 1.710 14.934 1.00 54.15 O ATOM 877 CB PRO A 57 0.188 -0.851 15.810 1.00 34.22 C ATOM 878 CG PRO A 57 0.609 -2.278 15.691 1.00 54.42 C ATOM 879 CD PRO A 57 0.665 -2.580 14.214 1.00 10.01 C ATOM 0 HA PRO A 57 0.174 0.662 14.197 1.00 30.23 H new ATOM 0 HB2 PRO A 57 0.564 -0.403 16.730 1.00 34.22 H new ATOM 0 HB3 PRO A 57 -0.898 -0.760 15.831 1.00 34.22 H new ATOM 0 HG2 PRO A 57 1.581 -2.437 16.158 1.00 54.42 H new ATOM 0 HG3 PRO A 57 -0.098 -2.936 16.196 1.00 54.42 H new ATOM 0 HD2 PRO A 57 1.473 -3.272 13.977 1.00 10.01 H new ATOM 0 HD3 PRO A 57 -0.260 -3.038 13.863 1.00 10.01 H new ATOM 887 N SER A 58 3.163 -0.342 15.127 1.00 50.10 N ATOM 888 CA SER A 58 4.491 0.149 15.528 1.00 65.54 C ATOM 889 C SER A 58 5.605 -0.775 15.012 1.00 44.42 C ATOM 890 O SER A 58 5.482 -2.000 15.069 1.00 43.32 O ATOM 891 CB SER A 58 4.583 0.263 17.061 1.00 32.45 C ATOM 892 OG SER A 58 3.616 1.165 17.580 1.00 53.31 O ATOM 0 H SER A 58 3.101 -1.356 15.039 1.00 50.10 H new ATOM 0 HA SER A 58 4.626 1.135 15.084 1.00 65.54 H new ATOM 0 HB2 SER A 58 4.440 -0.721 17.508 1.00 32.45 H new ATOM 0 HB3 SER A 58 5.581 0.599 17.342 1.00 32.45 H new ATOM 0 HG SER A 58 3.702 1.211 18.555 1.00 53.31 H new ATOM 898 N ILE A 59 6.687 -0.182 14.506 1.00 14.43 N ATOM 899 CA ILE A 59 7.842 -0.949 14.010 1.00 3.05 C ATOM 900 C ILE A 59 9.121 -0.608 14.794 1.00 14.22 C ATOM 901 O ILE A 59 10.222 -1.024 14.428 1.00 53.54 O ATOM 902 CB ILE A 59 8.089 -0.699 12.500 1.00 13.12 C ATOM 903 CG1 ILE A 59 8.381 0.790 12.233 1.00 50.21 C ATOM 904 CG2 ILE A 59 6.891 -1.174 11.676 1.00 13.31 C ATOM 905 CD1 ILE A 59 8.733 1.092 10.788 1.00 1.10 C ATOM 0 H ILE A 59 6.792 0.829 14.427 1.00 14.43 H new ATOM 0 HA ILE A 59 7.602 -2.002 14.159 1.00 3.05 H new ATOM 0 HB ILE A 59 8.964 -1.274 12.196 1.00 13.12 H new ATOM 0 HG12 ILE A 59 7.509 1.379 12.516 1.00 50.21 H new ATOM 0 HG13 ILE A 59 9.203 1.111 12.873 1.00 50.21 H new ATOM 0 HG21 ILE A 59 7.081 -0.991 10.618 1.00 13.31 H new ATOM 0 HG22 ILE A 59 6.738 -2.241 11.838 1.00 13.31 H new ATOM 0 HG23 ILE A 59 5.999 -0.629 11.984 1.00 13.31 H new ATOM 0 HD11 ILE A 59 8.926 2.159 10.676 1.00 1.10 H new ATOM 0 HD12 ILE A 59 9.624 0.531 10.506 1.00 1.10 H new ATOM 0 HD13 ILE A 59 7.903 0.803 10.143 1.00 1.10 H new ATOM 917 N GLY A 60 8.962 0.138 15.884 1.00 22.03 N ATOM 918 CA GLY A 60 10.101 0.542 16.697 1.00 24.51 C ATOM 919 C GLY A 60 11.033 1.511 15.980 1.00 32.24 C ATOM 920 O GLY A 60 10.582 2.449 15.318 1.00 4.12 O ATOM 0 H GLY A 60 8.060 0.473 16.222 1.00 22.03 H new ATOM 0 HA2 GLY A 60 9.739 1.007 17.614 1.00 24.51 H new ATOM 0 HA3 GLY A 60 10.664 -0.345 16.990 1.00 24.51 H new ATOM 924 N ASP A 61 12.336 1.283 16.103 1.00 30.23 N ATOM 925 CA ASP A 61 13.338 2.131 15.452 1.00 52.54 C ATOM 926 C ASP A 61 13.711 1.594 14.057 1.00 52.21 C ATOM 927 O ASP A 61 14.633 2.103 13.409 1.00 4.12 O ATOM 928 CB ASP A 61 14.587 2.222 16.335 1.00 55.34 C ATOM 929 CG ASP A 61 14.272 2.755 17.722 1.00 74.21 C ATOM 930 OD1 ASP A 61 14.254 3.988 17.902 1.00 41.14 O ATOM 931 OD2 ASP A 61 14.042 1.938 18.641 1.00 60.22 O ATOM 0 H ASP A 61 12.728 0.516 16.649 1.00 30.23 H new ATOM 0 HA ASP A 61 12.910 3.125 15.320 1.00 52.54 H new ATOM 0 HB2 ASP A 61 15.041 1.235 16.422 1.00 55.34 H new ATOM 0 HB3 ASP A 61 15.321 2.870 15.857 1.00 55.34 H new ATOM 936 N ALA A 62 12.986 0.572 13.599 1.00 40.33 N ATOM 937 CA ALA A 62 13.254 -0.065 12.304 1.00 12.12 C ATOM 938 C ALA A 62 12.947 0.871 11.124 1.00 22.45 C ATOM 939 O ALA A 62 11.926 1.559 11.112 1.00 72.51 O ATOM 940 CB ALA A 62 12.447 -1.356 12.179 1.00 11.43 C ATOM 0 H ALA A 62 12.202 0.164 14.109 1.00 40.33 H new ATOM 0 HA ALA A 62 14.319 -0.296 12.266 1.00 12.12 H new ATOM 0 HB1 ALA A 62 12.652 -1.822 11.215 1.00 11.43 H new ATOM 0 HB2 ALA A 62 12.729 -2.040 12.980 1.00 11.43 H new ATOM 0 HB3 ALA A 62 11.383 -1.129 12.253 1.00 11.43 H new ATOM 946 N PRO A 63 13.837 0.919 10.115 1.00 13.22 N ATOM 947 CA PRO A 63 13.620 1.728 8.904 1.00 21.43 C ATOM 948 C PRO A 63 12.492 1.169 8.018 1.00 2.32 C ATOM 949 O PRO A 63 12.456 -0.027 7.730 1.00 4.20 O ATOM 950 CB PRO A 63 14.971 1.652 8.163 1.00 15.55 C ATOM 951 CG PRO A 63 15.938 1.073 9.147 1.00 55.23 C ATOM 952 CD PRO A 63 15.126 0.214 10.073 1.00 42.22 C ATOM 0 HA PRO A 63 13.313 2.744 9.151 1.00 21.43 H new ATOM 0 HB2 PRO A 63 14.895 1.027 7.273 1.00 15.55 H new ATOM 0 HB3 PRO A 63 15.293 2.640 7.832 1.00 15.55 H new ATOM 0 HG2 PRO A 63 16.704 0.485 8.641 1.00 55.23 H new ATOM 0 HG3 PRO A 63 16.453 1.861 9.697 1.00 55.23 H new ATOM 0 HD2 PRO A 63 15.020 -0.803 9.695 1.00 42.22 H new ATOM 0 HD3 PRO A 63 15.580 0.141 11.061 1.00 42.22 H new ATOM 960 N LEU A 64 11.587 2.040 7.575 1.00 64.31 N ATOM 961 CA LEU A 64 10.449 1.624 6.740 1.00 3.23 C ATOM 962 C LEU A 64 10.914 1.031 5.394 1.00 31.41 C ATOM 963 O LEU A 64 10.297 0.105 4.868 1.00 53.24 O ATOM 964 CB LEU A 64 9.508 2.818 6.509 1.00 22.11 C ATOM 965 CG LEU A 64 8.269 2.543 5.632 1.00 5.30 C ATOM 966 CD1 LEU A 64 7.476 1.347 6.159 1.00 74.34 C ATOM 967 CD2 LEU A 64 7.379 3.787 5.550 1.00 75.54 C ATOM 0 H LEU A 64 11.615 3.039 7.777 1.00 64.31 H new ATOM 0 HA LEU A 64 9.910 0.839 7.270 1.00 3.23 H new ATOM 0 HB2 LEU A 64 9.168 3.181 7.479 1.00 22.11 H new ATOM 0 HB3 LEU A 64 10.081 3.624 6.051 1.00 22.11 H new ATOM 0 HG LEU A 64 8.616 2.300 4.628 1.00 5.30 H new ATOM 0 HD11 LEU A 64 6.608 1.176 5.522 1.00 74.34 H new ATOM 0 HD12 LEU A 64 8.110 0.460 6.155 1.00 74.34 H new ATOM 0 HD13 LEU A 64 7.144 1.551 7.177 1.00 74.34 H new ATOM 0 HD21 LEU A 64 6.511 3.573 4.927 1.00 75.54 H new ATOM 0 HD22 LEU A 64 7.048 4.064 6.551 1.00 75.54 H new ATOM 0 HD23 LEU A 64 7.944 4.611 5.114 1.00 75.54 H new ATOM 979 N GLU A 65 12.011 1.560 4.853 1.00 55.00 N ATOM 980 CA GLU A 65 12.566 1.077 3.579 1.00 54.01 C ATOM 981 C GLU A 65 13.263 -0.288 3.753 1.00 0.00 C ATOM 982 O GLU A 65 13.102 -1.192 2.932 1.00 31.14 O ATOM 983 CB GLU A 65 13.540 2.118 3.015 1.00 73.11 C ATOM 984 CG GLU A 65 14.147 1.757 1.664 1.00 72.33 C ATOM 985 CD GLU A 65 14.947 2.906 1.073 1.00 42.13 C ATOM 986 OE1 GLU A 65 16.092 3.130 1.518 1.00 1.42 O ATOM 987 OE2 GLU A 65 14.422 3.616 0.186 1.00 20.42 O ATOM 0 H GLU A 65 12.537 2.325 5.275 1.00 55.00 H new ATOM 0 HA GLU A 65 11.747 0.936 2.874 1.00 54.01 H new ATOM 0 HB2 GLU A 65 13.018 3.070 2.921 1.00 73.11 H new ATOM 0 HB3 GLU A 65 14.347 2.267 3.732 1.00 73.11 H new ATOM 0 HG2 GLU A 65 14.793 0.887 1.778 1.00 72.33 H new ATOM 0 HG3 GLU A 65 13.352 1.476 0.973 1.00 72.33 H new ATOM 994 N ASP A 66 14.039 -0.433 4.830 1.00 3.42 N ATOM 995 CA ASP A 66 14.643 -1.727 5.177 1.00 55.43 C ATOM 996 C ASP A 66 13.543 -2.770 5.449 1.00 74.51 C ATOM 997 O ASP A 66 13.670 -3.946 5.091 1.00 4.54 O ATOM 998 CB ASP A 66 15.550 -1.565 6.405 1.00 20.31 C ATOM 999 CG ASP A 66 16.213 -2.867 6.829 1.00 63.03 C ATOM 1000 OD1 ASP A 66 17.221 -3.261 6.208 1.00 52.13 O ATOM 1001 OD2 ASP A 66 15.736 -3.498 7.796 1.00 4.21 O ATOM 0 H ASP A 66 14.265 0.324 5.475 1.00 3.42 H new ATOM 0 HA ASP A 66 15.247 -2.076 4.340 1.00 55.43 H new ATOM 0 HB2 ASP A 66 16.320 -0.826 6.186 1.00 20.31 H new ATOM 0 HB3 ASP A 66 14.962 -1.176 7.236 1.00 20.31 H new ATOM 1006 N PHE A 67 12.462 -2.310 6.077 1.00 4.30 N ATOM 1007 CA PHE A 67 11.285 -3.141 6.344 1.00 32.53 C ATOM 1008 C PHE A 67 10.690 -3.696 5.039 1.00 35.23 C ATOM 1009 O PHE A 67 10.601 -4.913 4.852 1.00 61.34 O ATOM 1010 CB PHE A 67 10.225 -2.312 7.090 1.00 53.21 C ATOM 1011 CG PHE A 67 8.971 -3.078 7.432 1.00 52.43 C ATOM 1012 CD1 PHE A 67 7.969 -3.265 6.487 1.00 61.13 C ATOM 1013 CD2 PHE A 67 8.796 -3.616 8.697 1.00 25.33 C ATOM 1014 CE1 PHE A 67 6.829 -3.975 6.798 1.00 52.14 C ATOM 1015 CE2 PHE A 67 7.654 -4.324 9.009 1.00 13.43 C ATOM 1016 CZ PHE A 67 6.673 -4.506 8.058 1.00 53.25 C ATOM 0 H PHE A 67 12.376 -1.352 6.416 1.00 4.30 H new ATOM 0 HA PHE A 67 11.594 -3.984 6.962 1.00 32.53 H new ATOM 0 HB2 PHE A 67 10.663 -1.925 8.010 1.00 53.21 H new ATOM 0 HB3 PHE A 67 9.956 -1.451 6.478 1.00 53.21 H new ATOM 0 HD1 PHE A 67 8.085 -2.849 5.497 1.00 61.13 H new ATOM 0 HD2 PHE A 67 9.562 -3.480 9.446 1.00 25.33 H new ATOM 0 HE1 PHE A 67 6.059 -4.114 6.054 1.00 52.14 H new ATOM 0 HE2 PHE A 67 7.528 -4.736 9.999 1.00 13.43 H new ATOM 0 HZ PHE A 67 5.782 -5.065 8.302 1.00 53.25 H new ATOM 1026 N THR A 68 10.279 -2.790 4.149 1.00 61.43 N ATOM 1027 CA THR A 68 9.675 -3.170 2.864 1.00 10.35 C ATOM 1028 C THR A 68 10.588 -4.100 2.061 1.00 1.51 C ATOM 1029 O THR A 68 10.124 -5.073 1.471 1.00 75.20 O ATOM 1030 CB THR A 68 9.337 -1.931 2.001 1.00 64.02 C ATOM 1031 OG1 THR A 68 10.492 -1.091 1.875 1.00 73.10 O ATOM 1032 CG2 THR A 68 8.188 -1.130 2.606 1.00 11.11 C ATOM 0 H THR A 68 10.353 -1.783 4.293 1.00 61.43 H new ATOM 0 HA THR A 68 8.753 -3.698 3.107 1.00 10.35 H new ATOM 0 HB THR A 68 9.029 -2.283 1.017 1.00 64.02 H new ATOM 0 HG1 THR A 68 10.660 -0.906 0.927 1.00 73.10 H new ATOM 0 HG21 THR A 68 7.975 -0.266 1.976 1.00 11.11 H new ATOM 0 HG22 THR A 68 7.300 -1.759 2.671 1.00 11.11 H new ATOM 0 HG23 THR A 68 8.466 -0.791 3.604 1.00 11.11 H new ATOM 1040 N LEU A 69 11.886 -3.802 2.055 1.00 32.24 N ATOM 1041 CA LEU A 69 12.874 -4.641 1.362 1.00 74.40 C ATOM 1042 C LEU A 69 12.820 -6.106 1.844 1.00 14.42 C ATOM 1043 O LEU A 69 12.701 -7.029 1.031 1.00 13.41 O ATOM 1044 CB LEU A 69 14.286 -4.071 1.562 1.00 52.15 C ATOM 1045 CG LEU A 69 15.419 -4.829 0.845 1.00 34.24 C ATOM 1046 CD1 LEU A 69 15.211 -4.824 -0.671 1.00 64.32 C ATOM 1047 CD2 LEU A 69 16.774 -4.226 1.206 1.00 0.30 C ATOM 0 H LEU A 69 12.283 -2.986 2.521 1.00 32.24 H new ATOM 0 HA LEU A 69 12.628 -4.632 0.300 1.00 74.40 H new ATOM 0 HB2 LEU A 69 14.292 -3.036 1.219 1.00 52.15 H new ATOM 0 HB3 LEU A 69 14.504 -4.055 2.630 1.00 52.15 H new ATOM 0 HG LEU A 69 15.400 -5.866 1.181 1.00 34.24 H new ATOM 0 HD11 LEU A 69 16.025 -5.366 -1.152 1.00 64.32 H new ATOM 0 HD12 LEU A 69 14.263 -5.306 -0.910 1.00 64.32 H new ATOM 0 HD13 LEU A 69 15.196 -3.796 -1.033 1.00 64.32 H new ATOM 0 HD21 LEU A 69 17.564 -4.773 0.691 1.00 0.30 H new ATOM 0 HD22 LEU A 69 16.799 -3.180 0.902 1.00 0.30 H new ATOM 0 HD23 LEU A 69 16.927 -4.295 2.283 1.00 0.30 H new ATOM 1059 N LYS A 70 12.896 -6.321 3.164 1.00 72.40 N ATOM 1060 CA LYS A 70 12.844 -7.682 3.720 1.00 1.32 C ATOM 1061 C LYS A 70 11.485 -8.343 3.462 1.00 42.12 C ATOM 1062 O LYS A 70 11.417 -9.493 3.030 1.00 42.24 O ATOM 1063 CB LYS A 70 13.138 -7.696 5.229 1.00 64.01 C ATOM 1064 CG LYS A 70 14.527 -7.184 5.605 1.00 15.02 C ATOM 1065 CD LYS A 70 15.026 -7.791 6.920 1.00 50.44 C ATOM 1066 CE LYS A 70 14.015 -7.638 8.050 1.00 3.40 C ATOM 1067 NZ LYS A 70 14.499 -8.231 9.327 1.00 70.11 N ATOM 0 H LYS A 70 12.992 -5.582 3.860 1.00 72.40 H new ATOM 0 HA LYS A 70 13.620 -8.252 3.208 1.00 1.32 H new ATOM 0 HB2 LYS A 70 12.390 -7.089 5.738 1.00 64.01 H new ATOM 0 HB3 LYS A 70 13.027 -8.715 5.599 1.00 64.01 H new ATOM 0 HG2 LYS A 70 15.230 -7.422 4.806 1.00 15.02 H new ATOM 0 HG3 LYS A 70 14.501 -6.098 5.694 1.00 15.02 H new ATOM 0 HD2 LYS A 70 15.242 -8.849 6.770 1.00 50.44 H new ATOM 0 HD3 LYS A 70 15.962 -7.312 7.206 1.00 50.44 H new ATOM 0 HE2 LYS A 70 13.801 -6.580 8.202 1.00 3.40 H new ATOM 0 HE3 LYS A 70 13.078 -8.115 7.763 1.00 3.40 H new ATOM 0 HZ1 LYS A 70 13.990 -7.800 10.125 1.00 70.11 H new ATOM 0 HZ2 LYS A 70 14.328 -9.257 9.320 1.00 70.11 H new ATOM 0 HZ3 LYS A 70 15.518 -8.051 9.429 1.00 70.11 H new ATOM 1081 N LEU A 71 10.407 -7.606 3.718 1.00 21.12 N ATOM 1082 CA LEU A 71 9.049 -8.129 3.534 1.00 34.14 C ATOM 1083 C LEU A 71 8.799 -8.525 2.068 1.00 53.40 C ATOM 1084 O LEU A 71 8.231 -9.582 1.784 1.00 21.34 O ATOM 1085 CB LEU A 71 8.016 -7.082 3.981 1.00 51.02 C ATOM 1086 CG LEU A 71 6.554 -7.560 3.992 1.00 22.41 C ATOM 1087 CD1 LEU A 71 6.371 -8.715 4.975 1.00 62.31 C ATOM 1088 CD2 LEU A 71 5.609 -6.407 4.332 1.00 64.55 C ATOM 0 H LEU A 71 10.444 -6.644 4.054 1.00 21.12 H new ATOM 0 HA LEU A 71 8.944 -9.023 4.149 1.00 34.14 H new ATOM 0 HB2 LEU A 71 8.277 -6.744 4.984 1.00 51.02 H new ATOM 0 HB3 LEU A 71 8.093 -6.217 3.323 1.00 51.02 H new ATOM 0 HG LEU A 71 6.307 -7.919 2.993 1.00 22.41 H new ATOM 0 HD11 LEU A 71 5.330 -9.038 4.967 1.00 62.31 H new ATOM 0 HD12 LEU A 71 7.011 -9.547 4.682 1.00 62.31 H new ATOM 0 HD13 LEU A 71 6.641 -8.385 5.978 1.00 62.31 H new ATOM 0 HD21 LEU A 71 4.581 -6.768 4.334 1.00 64.55 H new ATOM 0 HD22 LEU A 71 5.857 -6.012 5.317 1.00 64.55 H new ATOM 0 HD23 LEU A 71 5.715 -5.618 3.587 1.00 64.55 H new ATOM 1100 N ALA A 72 9.249 -7.680 1.145 1.00 21.14 N ATOM 1101 CA ALA A 72 9.069 -7.923 -0.286 1.00 55.15 C ATOM 1102 C ALA A 72 9.846 -9.158 -0.763 1.00 61.30 C ATOM 1103 O ALA A 72 9.308 -9.993 -1.491 1.00 55.01 O ATOM 1104 CB ALA A 72 9.487 -6.695 -1.086 1.00 23.24 C ATOM 0 H ALA A 72 9.744 -6.815 1.363 1.00 21.14 H new ATOM 0 HA ALA A 72 8.010 -8.119 -0.453 1.00 55.15 H new ATOM 0 HB1 ALA A 72 9.348 -6.889 -2.150 1.00 23.24 H new ATOM 0 HB2 ALA A 72 8.876 -5.842 -0.790 1.00 23.24 H new ATOM 0 HB3 ALA A 72 10.536 -6.474 -0.892 1.00 23.24 H new ATOM 1110 N ARG A 73 11.111 -9.276 -0.350 1.00 23.54 N ATOM 1111 CA ARG A 73 11.946 -10.417 -0.756 1.00 33.32 C ATOM 1112 C ARG A 73 11.541 -11.706 -0.027 1.00 41.20 C ATOM 1113 O ARG A 73 11.778 -12.809 -0.519 1.00 45.33 O ATOM 1114 CB ARG A 73 13.435 -10.119 -0.530 1.00 70.54 C ATOM 1115 CG ARG A 73 13.836 -9.965 0.934 1.00 20.33 C ATOM 1116 CD ARG A 73 15.313 -9.606 1.070 1.00 35.43 C ATOM 1117 NE ARG A 73 15.727 -9.462 2.463 1.00 3.13 N ATOM 1118 CZ ARG A 73 16.832 -8.876 2.848 1.00 73.13 C ATOM 1119 NH1 ARG A 73 17.660 -8.373 1.980 1.00 33.11 N ATOM 1120 NH2 ARG A 73 17.111 -8.804 4.106 1.00 44.13 N ATOM 0 H ARG A 73 11.578 -8.605 0.259 1.00 23.54 H new ATOM 0 HA ARG A 73 11.782 -10.572 -1.822 1.00 33.32 H new ATOM 0 HB2 ARG A 73 14.024 -10.922 -0.972 1.00 70.54 H new ATOM 0 HB3 ARG A 73 13.694 -9.204 -1.062 1.00 70.54 H new ATOM 0 HG2 ARG A 73 13.227 -9.191 1.400 1.00 20.33 H new ATOM 0 HG3 ARG A 73 13.635 -10.894 1.468 1.00 20.33 H new ATOM 0 HD2 ARG A 73 15.917 -10.378 0.593 1.00 35.43 H new ATOM 0 HD3 ARG A 73 15.508 -8.675 0.538 1.00 35.43 H new ATOM 0 HE ARG A 73 15.114 -9.843 3.184 1.00 3.13 H new ATOM 0 HH11 ARG A 73 17.452 -8.432 0.983 1.00 33.11 H new ATOM 0 HH12 ARG A 73 18.517 -7.919 2.296 1.00 33.11 H new ATOM 0 HH21 ARG A 73 16.472 -9.203 4.794 1.00 44.13 H new ATOM 0 HH22 ARG A 73 17.971 -8.349 4.412 1.00 44.13 H new ATOM 1134 N GLN A 74 10.932 -11.552 1.145 1.00 43.32 N ATOM 1135 CA GLN A 74 10.401 -12.686 1.907 1.00 32.45 C ATOM 1136 C GLN A 74 9.222 -13.341 1.166 1.00 1.11 C ATOM 1137 O GLN A 74 9.095 -14.566 1.132 1.00 44.41 O ATOM 1138 CB GLN A 74 9.965 -12.204 3.299 1.00 1.04 C ATOM 1139 CG GLN A 74 9.305 -13.269 4.171 1.00 24.12 C ATOM 1140 CD GLN A 74 8.935 -12.751 5.554 1.00 21.41 C ATOM 1141 OE1 GLN A 74 8.888 -13.500 6.522 1.00 44.34 O ATOM 1142 NE2 GLN A 74 8.689 -11.459 5.667 1.00 55.32 N ATOM 0 H GLN A 74 10.792 -10.647 1.594 1.00 43.32 H new ATOM 0 HA GLN A 74 11.183 -13.438 2.015 1.00 32.45 H new ATOM 0 HB2 GLN A 74 10.839 -11.816 3.823 1.00 1.04 H new ATOM 0 HB3 GLN A 74 9.271 -11.373 3.178 1.00 1.04 H new ATOM 0 HG2 GLN A 74 8.407 -13.635 3.673 1.00 24.12 H new ATOM 0 HG3 GLN A 74 9.981 -14.118 4.274 1.00 24.12 H new ATOM 0 HE21 GLN A 74 8.735 -10.857 4.845 1.00 55.32 H new ATOM 0 HE22 GLN A 74 8.453 -11.062 6.577 1.00 55.32 H new ATOM 1151 N TRP A 75 8.363 -12.511 0.571 1.00 12.44 N ATOM 1152 CA TRP A 75 7.215 -13.003 -0.205 1.00 32.30 C ATOM 1153 C TRP A 75 7.550 -13.133 -1.706 1.00 24.22 C ATOM 1154 O TRP A 75 6.830 -13.793 -2.458 1.00 54.12 O ATOM 1155 CB TRP A 75 6.011 -12.066 -0.016 1.00 44.05 C ATOM 1156 CG TRP A 75 5.529 -11.968 1.407 1.00 22.24 C ATOM 1157 CD1 TRP A 75 5.931 -12.722 2.472 1.00 10.23 C ATOM 1158 CD2 TRP A 75 4.544 -11.060 1.912 1.00 64.44 C ATOM 1159 NE1 TRP A 75 5.263 -12.335 3.605 1.00 13.21 N ATOM 1160 CE2 TRP A 75 4.407 -11.316 3.289 1.00 75.24 C ATOM 1161 CE3 TRP A 75 3.771 -10.050 1.334 1.00 25.50 C ATOM 1162 CZ2 TRP A 75 3.524 -10.606 4.093 1.00 21.44 C ATOM 1163 CZ3 TRP A 75 2.894 -9.345 2.134 1.00 71.44 C ATOM 1164 CH2 TRP A 75 2.778 -9.624 3.502 1.00 62.25 C ATOM 0 H TRP A 75 8.438 -11.494 0.610 1.00 12.44 H new ATOM 0 HA TRP A 75 6.967 -13.997 0.167 1.00 32.30 H new ATOM 0 HB2 TRP A 75 6.280 -11.070 -0.367 1.00 44.05 H new ATOM 0 HB3 TRP A 75 5.191 -12.414 -0.644 1.00 44.05 H new ATOM 0 HD1 TRP A 75 6.669 -13.510 2.428 1.00 10.23 H new ATOM 0 HE1 TRP A 75 5.385 -12.741 4.533 1.00 13.21 H new ATOM 0 HE3 TRP A 75 3.858 -9.825 0.281 1.00 25.50 H new ATOM 0 HZ2 TRP A 75 3.430 -10.822 5.147 1.00 21.44 H new ATOM 0 HZ3 TRP A 75 2.287 -8.565 1.698 1.00 71.44 H new ATOM 0 HH2 TRP A 75 2.086 -9.052 4.102 1.00 62.25 H new ATOM 1175 N GLY A 76 8.644 -12.502 -2.132 1.00 70.35 N ATOM 1176 CA GLY A 76 9.064 -12.561 -3.534 1.00 63.01 C ATOM 1177 C GLY A 76 8.174 -11.741 -4.469 1.00 54.24 C ATOM 1178 O GLY A 76 7.806 -12.200 -5.551 1.00 51.21 O ATOM 0 H GLY A 76 9.253 -11.947 -1.531 1.00 70.35 H new ATOM 0 HA2 GLY A 76 10.090 -12.202 -3.614 1.00 63.01 H new ATOM 0 HA3 GLY A 76 9.063 -13.600 -3.862 1.00 63.01 H new ATOM 1182 N VAL A 77 7.838 -10.520 -4.058 1.00 11.03 N ATOM 1183 CA VAL A 77 6.946 -9.651 -4.844 1.00 32.02 C ATOM 1184 C VAL A 77 7.718 -8.498 -5.513 1.00 62.35 C ATOM 1185 O VAL A 77 7.998 -8.533 -6.714 1.00 65.14 O ATOM 1186 CB VAL A 77 5.819 -9.070 -3.953 1.00 10.23 C ATOM 1187 CG1 VAL A 77 4.875 -8.182 -4.763 1.00 33.34 C ATOM 1188 CG2 VAL A 77 5.051 -10.196 -3.263 1.00 41.22 C ATOM 0 H VAL A 77 8.167 -10.104 -3.186 1.00 11.03 H new ATOM 0 HA VAL A 77 6.506 -10.269 -5.626 1.00 32.02 H new ATOM 0 HB VAL A 77 6.280 -8.447 -3.187 1.00 10.23 H new ATOM 0 HG11 VAL A 77 4.095 -7.789 -4.110 1.00 33.34 H new ATOM 0 HG12 VAL A 77 5.436 -7.354 -5.196 1.00 33.34 H new ATOM 0 HG13 VAL A 77 4.419 -8.768 -5.561 1.00 33.34 H new ATOM 0 HG21 VAL A 77 4.263 -9.771 -2.641 1.00 41.22 H new ATOM 0 HG22 VAL A 77 4.607 -10.848 -4.015 1.00 41.22 H new ATOM 0 HG23 VAL A 77 5.734 -10.773 -2.640 1.00 41.22 H new ATOM 1256 N ASN A 82 12.580 -6.376 -8.917 1.00 4.51 N ATOM 1257 CA ASN A 82 11.833 -7.507 -9.502 1.00 52.42 C ATOM 1258 C ASN A 82 11.165 -7.153 -10.849 1.00 4.35 C ATOM 1259 O ASN A 82 11.823 -7.110 -11.889 1.00 2.34 O ATOM 1260 CB ASN A 82 10.771 -8.007 -8.516 1.00 32.14 C ATOM 1261 CG ASN A 82 11.342 -8.868 -7.414 1.00 23.21 C ATOM 1262 OD1 ASN A 82 12.524 -8.800 -7.107 1.00 41.42 O ATOM 1263 ND2 ASN A 82 10.492 -9.661 -6.791 1.00 21.33 N ATOM 0 HA ASN A 82 12.561 -8.294 -9.699 1.00 52.42 H new ATOM 0 HB2 ASN A 82 10.263 -7.150 -8.073 1.00 32.14 H new ATOM 0 HB3 ASN A 82 10.018 -8.577 -9.061 1.00 32.14 H new ATOM 0 HD21 ASN A 82 10.813 -10.248 -6.021 1.00 21.33 H new ATOM 0 HD22 ASN A 82 9.514 -9.687 -7.079 1.00 21.33 H new ATOM 1270 N ASN A 83 9.855 -6.887 -10.809 1.00 72.10 N ATOM 1271 CA ASN A 83 9.048 -6.670 -12.016 1.00 22.52 C ATOM 1272 C ASN A 83 7.820 -5.798 -11.686 1.00 71.35 C ATOM 1273 O ASN A 83 7.891 -4.946 -10.795 1.00 33.42 O ATOM 1274 CB ASN A 83 8.618 -8.027 -12.585 1.00 5.53 C ATOM 1275 CG ASN A 83 7.853 -8.860 -11.570 1.00 73.35 C ATOM 1276 OD1 ASN A 83 8.438 -9.595 -10.785 1.00 71.31 O ATOM 1277 ND2 ASN A 83 6.540 -8.752 -11.576 1.00 35.41 N ATOM 0 H ASN A 83 9.324 -6.816 -9.941 1.00 72.10 H new ATOM 0 HA ASN A 83 9.641 -6.144 -12.764 1.00 22.52 H new ATOM 0 HB2 ASN A 83 7.995 -7.869 -13.466 1.00 5.53 H new ATOM 0 HB3 ASN A 83 9.500 -8.577 -12.913 1.00 5.53 H new ATOM 0 HD21 ASN A 83 5.981 -9.290 -10.914 1.00 35.41 H new ATOM 0 HD22 ASN A 83 6.082 -8.131 -12.243 1.00 35.41 H new ATOM 1284 N ASN A 84 6.718 -5.967 -12.423 1.00 32.14 N ATOM 1285 CA ASN A 84 5.477 -5.244 -12.115 1.00 34.40 C ATOM 1286 C ASN A 84 4.858 -5.716 -10.783 1.00 34.41 C ATOM 1287 O ASN A 84 3.907 -6.498 -10.750 1.00 30.51 O ATOM 1288 CB ASN A 84 4.460 -5.355 -13.268 1.00 14.10 C ATOM 1289 CG ASN A 84 4.202 -6.785 -13.717 1.00 44.13 C ATOM 1290 OD1 ASN A 84 5.093 -7.627 -13.695 1.00 54.40 O ATOM 1291 ND2 ASN A 84 2.987 -7.065 -14.139 1.00 30.45 N ATOM 0 H ASN A 84 6.658 -6.590 -13.228 1.00 32.14 H new ATOM 0 HA ASN A 84 5.738 -4.192 -12.001 1.00 34.40 H new ATOM 0 HB2 ASN A 84 3.518 -4.906 -12.955 1.00 14.10 H new ATOM 0 HB3 ASN A 84 4.822 -4.776 -14.118 1.00 14.10 H new ATOM 0 HD21 ASN A 84 2.763 -8.007 -14.461 1.00 30.45 H new ATOM 0 HD22 ASN A 84 2.269 -6.340 -14.144 1.00 30.45 H new ATOM 1298 N GLY A 85 5.438 -5.240 -9.686 1.00 64.54 N ATOM 1299 CA GLY A 85 4.950 -5.554 -8.349 1.00 31.20 C ATOM 1300 C GLY A 85 5.065 -4.355 -7.418 1.00 21.23 C ATOM 1301 O GLY A 85 6.032 -3.591 -7.509 1.00 54.05 O ATOM 0 H GLY A 85 6.255 -4.629 -9.699 1.00 64.54 H new ATOM 0 HA2 GLY A 85 3.909 -5.873 -8.406 1.00 31.20 H new ATOM 0 HA3 GLY A 85 5.518 -6.390 -7.940 1.00 31.20 H new ATOM 1305 N LEU A 86 4.092 -4.182 -6.529 1.00 52.21 N ATOM 1306 CA LEU A 86 4.028 -2.992 -5.677 1.00 72.14 C ATOM 1307 C LEU A 86 3.659 -3.352 -4.230 1.00 2.13 C ATOM 1308 O LEU A 86 2.629 -3.979 -3.979 1.00 44.42 O ATOM 1309 CB LEU A 86 2.998 -2.012 -6.258 1.00 72.54 C ATOM 1310 CG LEU A 86 2.939 -0.626 -5.601 1.00 70.12 C ATOM 1311 CD1 LEU A 86 4.297 0.062 -5.667 1.00 10.41 C ATOM 1312 CD2 LEU A 86 1.866 0.232 -6.270 1.00 50.10 C ATOM 0 H LEU A 86 3.335 -4.849 -6.377 1.00 52.21 H new ATOM 0 HA LEU A 86 5.014 -2.527 -5.657 1.00 72.14 H new ATOM 0 HB2 LEU A 86 3.211 -1.880 -7.319 1.00 72.54 H new ATOM 0 HB3 LEU A 86 2.011 -2.469 -6.185 1.00 72.54 H new ATOM 0 HG LEU A 86 2.676 -0.753 -4.551 1.00 70.12 H new ATOM 0 HD11 LEU A 86 4.231 1.043 -5.195 1.00 10.41 H new ATOM 0 HD12 LEU A 86 5.037 -0.543 -5.144 1.00 10.41 H new ATOM 0 HD13 LEU A 86 4.595 0.180 -6.709 1.00 10.41 H new ATOM 0 HD21 LEU A 86 1.835 1.212 -5.794 1.00 50.10 H new ATOM 0 HD22 LEU A 86 2.101 0.349 -7.328 1.00 50.10 H new ATOM 0 HD23 LEU A 86 0.895 -0.253 -6.166 1.00 50.10 H new ATOM 1324 N LEU A 87 4.508 -2.960 -3.283 1.00 72.41 N ATOM 1325 CA LEU A 87 4.248 -3.200 -1.857 1.00 14.02 C ATOM 1326 C LEU A 87 3.913 -1.891 -1.122 1.00 41.54 C ATOM 1327 O LEU A 87 4.701 -0.947 -1.132 1.00 31.33 O ATOM 1328 CB LEU A 87 5.469 -3.869 -1.206 1.00 45.13 C ATOM 1329 CG LEU A 87 5.323 -4.202 0.291 1.00 21.23 C ATOM 1330 CD1 LEU A 87 4.174 -5.183 0.525 1.00 14.21 C ATOM 1331 CD2 LEU A 87 6.630 -4.759 0.852 1.00 71.22 C ATOM 0 H LEU A 87 5.384 -2.474 -3.473 1.00 72.41 H new ATOM 0 HA LEU A 87 3.386 -3.862 -1.778 1.00 14.02 H new ATOM 0 HB2 LEU A 87 5.687 -4.790 -1.746 1.00 45.13 H new ATOM 0 HB3 LEU A 87 6.331 -3.214 -1.332 1.00 45.13 H new ATOM 0 HG LEU A 87 5.090 -3.277 0.819 1.00 21.23 H new ATOM 0 HD11 LEU A 87 4.093 -5.401 1.590 1.00 14.21 H new ATOM 0 HD12 LEU A 87 3.242 -4.742 0.173 1.00 14.21 H new ATOM 0 HD13 LEU A 87 4.367 -6.107 -0.021 1.00 14.21 H new ATOM 0 HD21 LEU A 87 6.504 -4.987 1.910 1.00 71.22 H new ATOM 0 HD22 LEU A 87 6.898 -5.668 0.314 1.00 71.22 H new ATOM 0 HD23 LEU A 87 7.422 -4.020 0.732 1.00 71.22 H new ATOM 1343 N LEU A 88 2.743 -1.844 -0.490 1.00 14.33 N ATOM 1344 CA LEU A 88 2.305 -0.668 0.275 1.00 23.42 C ATOM 1345 C LEU A 88 2.199 -0.988 1.776 1.00 21.11 C ATOM 1346 O LEU A 88 1.336 -1.755 2.194 1.00 73.13 O ATOM 1347 CB LEU A 88 0.948 -0.175 -0.248 1.00 44.41 C ATOM 1348 CG LEU A 88 0.303 0.970 0.557 1.00 35.01 C ATOM 1349 CD1 LEU A 88 1.188 2.214 0.538 1.00 40.24 C ATOM 1350 CD2 LEU A 88 -1.095 1.281 0.025 1.00 62.34 C ATOM 0 H LEU A 88 2.072 -2.612 -0.490 1.00 14.33 H new ATOM 0 HA LEU A 88 3.051 0.116 0.144 1.00 23.42 H new ATOM 0 HB2 LEU A 88 1.074 0.155 -1.279 1.00 44.41 H new ATOM 0 HB3 LEU A 88 0.257 -1.018 -0.265 1.00 44.41 H new ATOM 0 HG LEU A 88 0.205 0.647 1.593 1.00 35.01 H new ATOM 0 HD11 LEU A 88 0.712 3.008 1.113 1.00 40.24 H new ATOM 0 HD12 LEU A 88 2.157 1.978 0.979 1.00 40.24 H new ATOM 0 HD13 LEU A 88 1.328 2.545 -0.491 1.00 40.24 H new ATOM 0 HD21 LEU A 88 -1.533 2.092 0.606 1.00 62.34 H new ATOM 0 HD22 LEU A 88 -1.028 1.580 -1.021 1.00 62.34 H new ATOM 0 HD23 LEU A 88 -1.722 0.394 0.110 1.00 62.34 H new ATOM 1362 N VAL A 89 3.080 -0.399 2.582 1.00 41.21 N ATOM 1363 CA VAL A 89 3.063 -0.620 4.036 1.00 21.50 C ATOM 1364 C VAL A 89 2.749 0.676 4.808 1.00 40.45 C ATOM 1365 O VAL A 89 3.388 1.707 4.595 1.00 22.23 O ATOM 1366 CB VAL A 89 4.412 -1.199 4.537 1.00 12.13 C ATOM 1367 CG1 VAL A 89 4.370 -1.452 6.046 1.00 32.10 C ATOM 1368 CG2 VAL A 89 4.765 -2.482 3.783 1.00 21.35 C ATOM 0 H VAL A 89 3.813 0.233 2.260 1.00 41.21 H new ATOM 0 HA VAL A 89 2.270 -1.343 4.229 1.00 21.50 H new ATOM 0 HB VAL A 89 5.190 -0.462 4.339 1.00 12.13 H new ATOM 0 HG11 VAL A 89 5.327 -1.858 6.374 1.00 32.10 H new ATOM 0 HG12 VAL A 89 4.176 -0.514 6.567 1.00 32.10 H new ATOM 0 HG13 VAL A 89 3.577 -2.164 6.274 1.00 32.10 H new ATOM 0 HG21 VAL A 89 5.715 -2.870 4.151 1.00 21.35 H new ATOM 0 HG22 VAL A 89 3.983 -3.225 3.942 1.00 21.35 H new ATOM 0 HG23 VAL A 89 4.849 -2.267 2.718 1.00 21.35 H new ATOM 1378 N LEU A 90 1.758 0.608 5.696 1.00 53.24 N ATOM 1379 CA LEU A 90 1.388 1.738 6.562 1.00 72.21 C ATOM 1380 C LEU A 90 1.883 1.519 8.001 1.00 42.22 C ATOM 1381 O LEU A 90 1.526 0.529 8.645 1.00 14.30 O ATOM 1382 CB LEU A 90 -0.142 1.923 6.576 1.00 11.23 C ATOM 1383 CG LEU A 90 -0.682 2.914 7.632 1.00 43.44 C ATOM 1384 CD1 LEU A 90 -0.370 4.360 7.266 1.00 1.04 C ATOM 1385 CD2 LEU A 90 -2.181 2.726 7.845 1.00 32.20 C ATOM 0 H LEU A 90 1.188 -0.226 5.839 1.00 53.24 H new ATOM 0 HA LEU A 90 1.862 2.633 6.159 1.00 72.21 H new ATOM 0 HB2 LEU A 90 -0.459 2.262 5.590 1.00 11.23 H new ATOM 0 HB3 LEU A 90 -0.607 0.951 6.744 1.00 11.23 H new ATOM 0 HG LEU A 90 -0.170 2.694 8.569 1.00 43.44 H new ATOM 0 HD11 LEU A 90 -0.767 5.024 8.034 1.00 1.04 H new ATOM 0 HD12 LEU A 90 0.710 4.492 7.195 1.00 1.04 H new ATOM 0 HD13 LEU A 90 -0.829 4.600 6.307 1.00 1.04 H new ATOM 0 HD21 LEU A 90 -2.534 3.436 8.593 1.00 32.20 H new ATOM 0 HD22 LEU A 90 -2.706 2.897 6.905 1.00 32.20 H new ATOM 0 HD23 LEU A 90 -2.375 1.710 8.189 1.00 32.20 H new ATOM 1397 N VAL A 91 2.698 2.444 8.504 1.00 32.23 N ATOM 1398 CA VAL A 91 3.154 2.395 9.897 1.00 14.25 C ATOM 1399 C VAL A 91 2.412 3.430 10.752 1.00 14.32 C ATOM 1400 O VAL A 91 2.715 4.619 10.689 1.00 72.34 O ATOM 1401 CB VAL A 91 4.674 2.650 10.015 1.00 50.15 C ATOM 1402 CG1 VAL A 91 5.127 2.527 11.468 1.00 10.41 C ATOM 1403 CG2 VAL A 91 5.454 1.696 9.120 1.00 53.24 C ATOM 0 H VAL A 91 3.057 3.236 7.971 1.00 32.23 H new ATOM 0 HA VAL A 91 2.937 1.391 10.261 1.00 14.25 H new ATOM 0 HB VAL A 91 4.878 3.667 9.680 1.00 50.15 H new ATOM 0 HG11 VAL A 91 6.200 2.710 11.531 1.00 10.41 H new ATOM 0 HG12 VAL A 91 4.598 3.259 12.077 1.00 10.41 H new ATOM 0 HG13 VAL A 91 4.908 1.524 11.834 1.00 10.41 H new ATOM 0 HG21 VAL A 91 6.521 1.894 9.220 1.00 53.24 H new ATOM 0 HG22 VAL A 91 5.247 0.668 9.416 1.00 53.24 H new ATOM 0 HG23 VAL A 91 5.153 1.842 8.083 1.00 53.24 H new ATOM 1413 N LEU A 92 1.455 2.965 11.552 1.00 42.41 N ATOM 1414 CA LEU A 92 0.607 3.844 12.378 1.00 52.32 C ATOM 1415 C LEU A 92 1.425 4.734 13.339 1.00 34.52 C ATOM 1416 O LEU A 92 1.069 5.891 13.570 1.00 71.12 O ATOM 1417 CB LEU A 92 -0.395 2.990 13.170 1.00 71.31 C ATOM 1418 CG LEU A 92 -1.340 3.757 14.114 1.00 33.12 C ATOM 1419 CD1 LEU A 92 -2.221 4.737 13.340 1.00 12.51 C ATOM 1420 CD2 LEU A 92 -2.198 2.782 14.920 1.00 32.55 C ATOM 0 H LEU A 92 1.240 1.973 11.651 1.00 42.41 H new ATOM 0 HA LEU A 92 0.078 4.517 11.703 1.00 52.32 H new ATOM 0 HB2 LEU A 92 -1.001 2.426 12.461 1.00 71.31 H new ATOM 0 HB3 LEU A 92 0.164 2.263 13.760 1.00 71.31 H new ATOM 0 HG LEU A 92 -0.727 4.335 14.806 1.00 33.12 H new ATOM 0 HD11 LEU A 92 -2.877 5.263 14.034 1.00 12.51 H new ATOM 0 HD12 LEU A 92 -1.592 5.458 12.818 1.00 12.51 H new ATOM 0 HD13 LEU A 92 -2.824 4.190 12.615 1.00 12.51 H new ATOM 0 HD21 LEU A 92 -2.860 3.341 15.582 1.00 32.55 H new ATOM 0 HD22 LEU A 92 -2.794 2.174 14.240 1.00 32.55 H new ATOM 0 HD23 LEU A 92 -1.553 2.135 15.514 1.00 32.55 H new ATOM 1432 N ASP A 93 2.514 4.194 13.890 1.00 0.44 N ATOM 1433 CA ASP A 93 3.368 4.933 14.837 1.00 54.31 C ATOM 1434 C ASP A 93 3.775 6.317 14.280 1.00 31.54 C ATOM 1435 O ASP A 93 3.519 7.349 14.906 1.00 42.13 O ATOM 1436 CB ASP A 93 4.608 4.092 15.181 1.00 21.14 C ATOM 1437 CG ASP A 93 5.466 4.720 16.268 1.00 73.25 C ATOM 1438 OD1 ASP A 93 4.908 5.131 17.305 1.00 11.53 O ATOM 1439 OD2 ASP A 93 6.703 4.775 16.107 1.00 65.22 O ATOM 0 H ASP A 93 2.831 3.243 13.699 1.00 0.44 H new ATOM 0 HA ASP A 93 2.795 5.112 15.747 1.00 54.31 H new ATOM 0 HB2 ASP A 93 4.290 3.100 15.503 1.00 21.14 H new ATOM 0 HB3 ASP A 93 5.210 3.957 14.282 1.00 21.14 H new ATOM 1444 N GLN A 94 4.399 6.332 13.104 1.00 1.22 N ATOM 1445 CA GLN A 94 4.723 7.591 12.406 1.00 52.54 C ATOM 1446 C GLN A 94 3.682 7.919 11.319 1.00 43.30 C ATOM 1447 O GLN A 94 3.865 8.846 10.527 1.00 52.11 O ATOM 1448 CB GLN A 94 6.137 7.532 11.789 1.00 31.12 C ATOM 1449 CG GLN A 94 6.465 6.239 11.038 1.00 1.25 C ATOM 1450 CD GLN A 94 7.027 5.150 11.941 1.00 32.20 C ATOM 1451 OE1 GLN A 94 6.715 5.081 13.118 1.00 70.15 O ATOM 1452 NE2 GLN A 94 7.855 4.286 11.394 1.00 52.42 N ATOM 0 H GLN A 94 4.694 5.491 12.608 1.00 1.22 H new ATOM 0 HA GLN A 94 4.699 8.388 13.149 1.00 52.54 H new ATOM 0 HB2 GLN A 94 6.252 8.371 11.103 1.00 31.12 H new ATOM 0 HB3 GLN A 94 6.870 7.667 12.585 1.00 31.12 H new ATOM 0 HG2 GLN A 94 5.562 5.869 10.552 1.00 1.25 H new ATOM 0 HG3 GLN A 94 7.186 6.457 10.250 1.00 1.25 H new ATOM 0 HE21 GLN A 94 8.099 4.368 10.407 1.00 52.42 H new ATOM 0 HE22 GLN A 94 8.253 3.535 11.957 1.00 52.42 H new ATOM 1461 N ARG A 95 2.589 7.151 11.311 1.00 42.12 N ATOM 1462 CA ARG A 95 1.480 7.283 10.343 1.00 21.45 C ATOM 1463 C ARG A 95 1.940 7.672 8.921 1.00 41.32 C ATOM 1464 O ARG A 95 1.362 8.550 8.279 1.00 2.43 O ATOM 1465 CB ARG A 95 0.402 8.249 10.869 1.00 2.43 C ATOM 1466 CG ARG A 95 0.849 9.695 11.055 1.00 72.31 C ATOM 1467 CD ARG A 95 -0.312 10.575 11.502 1.00 54.03 C ATOM 1468 NE ARG A 95 0.072 11.977 11.620 1.00 54.24 N ATOM 1469 CZ ARG A 95 -0.741 12.938 11.959 1.00 22.25 C ATOM 1470 NH1 ARG A 95 -1.993 12.697 12.189 1.00 2.33 N ATOM 1471 NH2 ARG A 95 -0.295 14.147 12.054 1.00 62.41 N ATOM 0 H ARG A 95 2.441 6.403 11.988 1.00 42.12 H new ATOM 0 HA ARG A 95 1.042 6.289 10.248 1.00 21.45 H new ATOM 0 HB2 ARG A 95 -0.442 8.234 10.179 1.00 2.43 H new ATOM 0 HB3 ARG A 95 0.039 7.874 11.826 1.00 2.43 H new ATOM 0 HG2 ARG A 95 1.649 9.739 11.794 1.00 72.31 H new ATOM 0 HG3 ARG A 95 1.259 10.076 10.119 1.00 72.31 H new ATOM 0 HD2 ARG A 95 -1.131 10.483 10.788 1.00 54.03 H new ATOM 0 HD3 ARG A 95 -0.685 10.220 12.463 1.00 54.03 H new ATOM 0 HE ARG A 95 1.042 12.222 11.424 1.00 54.24 H new ATOM 0 HH11 ARG A 95 -2.353 11.746 12.106 1.00 2.33 H new ATOM 0 HH12 ARG A 95 -2.619 13.458 12.454 1.00 2.33 H new ATOM 0 HH21 ARG A 95 0.688 14.345 11.864 1.00 62.41 H new ATOM 0 HH22 ARG A 95 -0.925 14.904 12.319 1.00 62.41 H new ATOM 1485 N ARG A 96 2.976 6.997 8.425 1.00 14.01 N ATOM 1486 CA ARG A 96 3.441 7.201 7.045 1.00 32.20 C ATOM 1487 C ARG A 96 3.514 5.871 6.283 1.00 25.11 C ATOM 1488 O ARG A 96 3.667 4.804 6.884 1.00 50.23 O ATOM 1489 CB ARG A 96 4.802 7.912 7.024 1.00 53.00 C ATOM 1490 CG ARG A 96 5.937 7.141 7.689 1.00 23.41 C ATOM 1491 CD ARG A 96 7.222 7.969 7.711 1.00 5.33 C ATOM 1492 NE ARG A 96 8.345 7.275 8.339 1.00 43.13 N ATOM 1493 CZ ARG A 96 9.600 7.521 8.059 1.00 52.34 C ATOM 1494 NH1 ARG A 96 9.912 8.371 7.131 1.00 33.11 N ATOM 1495 NH2 ARG A 96 10.540 6.915 8.709 1.00 65.13 N ATOM 0 H ARG A 96 3.510 6.306 8.952 1.00 14.01 H new ATOM 0 HA ARG A 96 2.715 7.839 6.541 1.00 32.20 H new ATOM 0 HB2 ARG A 96 5.076 8.112 5.988 1.00 53.00 H new ATOM 0 HB3 ARG A 96 4.699 8.878 7.519 1.00 53.00 H new ATOM 0 HG2 ARG A 96 5.653 6.876 8.708 1.00 23.41 H new ATOM 0 HG3 ARG A 96 6.110 6.208 7.153 1.00 23.41 H new ATOM 0 HD2 ARG A 96 7.493 8.234 6.689 1.00 5.33 H new ATOM 0 HD3 ARG A 96 7.036 8.902 8.244 1.00 5.33 H new ATOM 0 HE ARG A 96 8.139 6.558 9.035 1.00 43.13 H new ATOM 0 HH11 ARG A 96 9.177 8.853 6.613 1.00 33.11 H new ATOM 0 HH12 ARG A 96 10.892 8.557 6.919 1.00 33.11 H new ATOM 0 HH21 ARG A 96 10.304 6.245 9.441 1.00 65.13 H new ATOM 0 HH22 ARG A 96 11.517 7.107 8.490 1.00 65.13 H new ATOM 1509 N VAL A 97 3.404 5.945 4.957 1.00 1.53 N ATOM 1510 CA VAL A 97 3.376 4.748 4.107 1.00 73.03 C ATOM 1511 C VAL A 97 4.499 4.766 3.059 1.00 54.52 C ATOM 1512 O VAL A 97 5.184 5.776 2.879 1.00 34.50 O ATOM 1513 CB VAL A 97 2.020 4.614 3.362 1.00 14.24 C ATOM 1514 CG1 VAL A 97 0.847 4.758 4.315 1.00 31.13 C ATOM 1515 CG2 VAL A 97 1.914 5.625 2.221 1.00 24.23 C ATOM 0 H VAL A 97 3.332 6.823 4.444 1.00 1.53 H new ATOM 0 HA VAL A 97 3.517 3.899 4.776 1.00 73.03 H new ATOM 0 HB VAL A 97 1.983 3.613 2.933 1.00 14.24 H new ATOM 0 HG11 VAL A 97 -0.086 4.659 3.761 1.00 31.13 H new ATOM 0 HG12 VAL A 97 0.900 3.981 5.078 1.00 31.13 H new ATOM 0 HG13 VAL A 97 0.884 5.737 4.792 1.00 31.13 H new ATOM 0 HG21 VAL A 97 0.954 5.507 1.718 1.00 24.23 H new ATOM 0 HG22 VAL A 97 1.992 6.636 2.622 1.00 24.23 H new ATOM 0 HG23 VAL A 97 2.720 5.455 1.508 1.00 24.23 H new ATOM 1525 N ARG A 98 4.671 3.647 2.362 1.00 44.24 N ATOM 1526 CA ARG A 98 5.642 3.559 1.267 1.00 23.41 C ATOM 1527 C ARG A 98 5.180 2.581 0.174 1.00 64.43 C ATOM 1528 O ARG A 98 4.806 1.447 0.466 1.00 41.21 O ATOM 1529 CB ARG A 98 7.019 3.127 1.801 1.00 45.32 C ATOM 1530 CG ARG A 98 8.033 2.814 0.700 1.00 33.55 C ATOM 1531 CD ARG A 98 9.412 2.467 1.259 1.00 2.35 C ATOM 1532 NE ARG A 98 10.313 1.978 0.216 1.00 32.03 N ATOM 1533 CZ ARG A 98 11.303 2.659 -0.297 1.00 5.21 C ATOM 1534 NH1 ARG A 98 11.573 3.858 0.117 1.00 44.10 N ATOM 1535 NH2 ARG A 98 12.028 2.129 -1.227 1.00 11.43 N ATOM 0 H ARG A 98 4.152 2.786 2.533 1.00 44.24 H new ATOM 0 HA ARG A 98 5.721 4.551 0.823 1.00 23.41 H new ATOM 0 HB2 ARG A 98 7.418 3.918 2.436 1.00 45.32 H new ATOM 0 HB3 ARG A 98 6.895 2.246 2.430 1.00 45.32 H new ATOM 0 HG2 ARG A 98 7.667 1.981 0.099 1.00 33.55 H new ATOM 0 HG3 ARG A 98 8.119 3.673 0.035 1.00 33.55 H new ATOM 0 HD2 ARG A 98 9.846 3.349 1.730 1.00 2.35 H new ATOM 0 HD3 ARG A 98 9.309 1.709 2.035 1.00 2.35 H new ATOM 0 HE ARG A 98 10.157 1.034 -0.138 1.00 32.03 H new ATOM 0 HH11 ARG A 98 11.009 4.282 0.853 1.00 44.10 H new ATOM 0 HH12 ARG A 98 12.349 4.377 -0.294 1.00 44.10 H new ATOM 0 HH21 ARG A 98 11.826 1.185 -1.556 1.00 11.43 H new ATOM 0 HH22 ARG A 98 12.802 2.655 -1.632 1.00 11.43 H new ATOM 1549 N PHE A 99 5.193 3.044 -1.078 1.00 24.11 N ATOM 1550 CA PHE A 99 4.980 2.174 -2.241 1.00 31.51 C ATOM 1551 C PHE A 99 6.331 1.669 -2.775 1.00 64.41 C ATOM 1552 O PHE A 99 7.177 2.467 -3.181 1.00 10.51 O ATOM 1553 CB PHE A 99 4.247 2.926 -3.363 1.00 71.21 C ATOM 1554 CG PHE A 99 2.785 3.197 -3.105 1.00 50.24 C ATOM 1555 CD1 PHE A 99 1.838 2.203 -3.313 1.00 41.44 C ATOM 1556 CD2 PHE A 99 2.352 4.445 -2.683 1.00 42.22 C ATOM 1557 CE1 PHE A 99 0.495 2.449 -3.102 1.00 42.51 C ATOM 1558 CE2 PHE A 99 1.009 4.694 -2.467 1.00 40.13 C ATOM 1559 CZ PHE A 99 0.079 3.695 -2.679 1.00 71.12 C ATOM 0 H PHE A 99 5.350 4.024 -1.315 1.00 24.11 H new ATOM 0 HA PHE A 99 4.368 1.330 -1.922 1.00 31.51 H new ATOM 0 HB2 PHE A 99 4.752 3.877 -3.532 1.00 71.21 H new ATOM 0 HB3 PHE A 99 4.336 2.350 -4.284 1.00 71.21 H new ATOM 0 HD1 PHE A 99 2.155 1.225 -3.644 1.00 41.44 H new ATOM 0 HD2 PHE A 99 3.073 5.233 -2.521 1.00 42.22 H new ATOM 0 HE1 PHE A 99 -0.230 1.666 -3.268 1.00 42.51 H new ATOM 0 HE2 PHE A 99 0.687 5.669 -2.133 1.00 40.13 H new ATOM 0 HZ PHE A 99 -0.971 3.888 -2.514 1.00 71.12 H new ATOM 1569 N GLU A 100 6.532 0.356 -2.766 1.00 74.44 N ATOM 1570 CA GLU A 100 7.799 -0.235 -3.218 1.00 60.43 C ATOM 1571 C GLU A 100 7.660 -0.862 -4.617 1.00 11.23 C ATOM 1572 O GLU A 100 6.958 -1.862 -4.789 1.00 22.20 O ATOM 1573 CB GLU A 100 8.257 -1.305 -2.210 1.00 74.13 C ATOM 1574 CG GLU A 100 9.699 -1.764 -2.399 1.00 13.43 C ATOM 1575 CD GLU A 100 10.705 -0.676 -2.057 1.00 31.12 C ATOM 1576 OE1 GLU A 100 11.029 -0.514 -0.864 1.00 51.54 O ATOM 1577 OE2 GLU A 100 11.156 0.042 -2.973 1.00 64.54 O ATOM 0 H GLU A 100 5.839 -0.323 -2.452 1.00 74.44 H new ATOM 0 HA GLU A 100 8.543 0.560 -3.279 1.00 60.43 H new ATOM 0 HB2 GLU A 100 8.142 -0.910 -1.201 1.00 74.13 H new ATOM 0 HB3 GLU A 100 7.598 -2.170 -2.291 1.00 74.13 H new ATOM 0 HG2 GLU A 100 9.885 -2.636 -1.772 1.00 13.43 H new ATOM 0 HG3 GLU A 100 9.845 -2.078 -3.433 1.00 13.43 H new ATOM 1584 N THR A 101 8.324 -0.271 -5.613 1.00 25.53 N ATOM 1585 CA THR A 101 8.322 -0.812 -6.982 1.00 65.34 C ATOM 1586 C THR A 101 9.559 -1.675 -7.247 1.00 4.22 C ATOM 1587 O THR A 101 10.683 -1.294 -6.920 1.00 62.41 O ATOM 1588 CB THR A 101 8.264 0.302 -8.066 1.00 72.15 C ATOM 1589 OG1 THR A 101 9.152 1.377 -7.730 1.00 54.43 O ATOM 1590 CG2 THR A 101 6.845 0.835 -8.249 1.00 0.25 C ATOM 0 H THR A 101 8.871 0.583 -5.501 1.00 25.53 H new ATOM 0 HA THR A 101 7.420 -1.420 -7.052 1.00 65.34 H new ATOM 0 HB THR A 101 8.581 -0.143 -9.009 1.00 72.15 H new ATOM 0 HG1 THR A 101 9.461 1.815 -8.551 1.00 54.43 H new ATOM 0 HG21 THR A 101 6.844 1.611 -9.014 1.00 0.25 H new ATOM 0 HG22 THR A 101 6.188 0.022 -8.556 1.00 0.25 H new ATOM 0 HG23 THR A 101 6.489 1.253 -7.307 1.00 0.25 H new ATOM 1598 N GLY A 102 9.338 -2.851 -7.833 1.00 73.52 N ATOM 1599 CA GLY A 102 10.447 -3.699 -8.255 1.00 70.25 C ATOM 1600 C GLY A 102 11.148 -3.167 -9.503 1.00 30.51 C ATOM 1601 O GLY A 102 12.322 -2.815 -9.462 1.00 64.02 O ATOM 0 H GLY A 102 8.412 -3.233 -8.024 1.00 73.52 H new ATOM 0 HA2 GLY A 102 11.169 -3.778 -7.442 1.00 70.25 H new ATOM 0 HA3 GLY A 102 10.077 -4.705 -8.451 1.00 70.25 H new ATOM 1605 N TYR A 103 10.418 -3.113 -10.618 1.00 25.15 N ATOM 1606 CA TYR A 103 10.989 -2.659 -11.890 1.00 62.21 C ATOM 1607 C TYR A 103 9.899 -2.416 -12.954 1.00 20.44 C ATOM 1608 O TYR A 103 9.815 -1.339 -13.536 1.00 3.42 O ATOM 1609 CB TYR A 103 12.012 -3.701 -12.378 1.00 33.14 C ATOM 1610 CG TYR A 103 12.228 -3.723 -13.875 1.00 62.31 C ATOM 1611 CD1 TYR A 103 13.024 -2.777 -14.506 1.00 35.00 C ATOM 1612 CD2 TYR A 103 11.626 -4.702 -14.652 1.00 33.04 C ATOM 1613 CE1 TYR A 103 13.214 -2.806 -15.874 1.00 72.01 C ATOM 1614 CE2 TYR A 103 11.809 -4.741 -16.018 1.00 22.03 C ATOM 1615 CZ TYR A 103 12.604 -3.791 -16.626 1.00 5.12 C ATOM 1616 OH TYR A 103 12.789 -3.821 -17.993 1.00 12.02 O ATOM 0 H TYR A 103 9.434 -3.377 -10.668 1.00 25.15 H new ATOM 0 HA TYR A 103 11.487 -1.703 -11.729 1.00 62.21 H new ATOM 0 HB2 TYR A 103 12.967 -3.508 -11.890 1.00 33.14 H new ATOM 0 HB3 TYR A 103 11.684 -4.690 -12.058 1.00 33.14 H new ATOM 0 HD1 TYR A 103 13.502 -2.007 -13.919 1.00 35.00 H new ATOM 0 HD2 TYR A 103 11.003 -5.447 -14.179 1.00 33.04 H new ATOM 0 HE1 TYR A 103 13.835 -2.063 -16.352 1.00 72.01 H new ATOM 0 HE2 TYR A 103 11.333 -5.510 -16.608 1.00 22.03 H new ATOM 0 HH TYR A 103 12.293 -4.576 -18.374 1.00 12.02 H new ATOM 1626 N GLY A 104 9.062 -3.426 -13.181 1.00 5.41 N ATOM 1627 CA GLY A 104 8.053 -3.376 -14.246 1.00 64.42 C ATOM 1628 C GLY A 104 7.129 -2.159 -14.194 1.00 34.32 C ATOM 1629 O GLY A 104 6.669 -1.674 -15.226 1.00 51.43 O ATOM 0 H GLY A 104 9.060 -4.292 -12.642 1.00 5.41 H new ATOM 0 HA2 GLY A 104 8.561 -3.388 -15.210 1.00 64.42 H new ATOM 0 HA3 GLY A 104 7.445 -4.279 -14.195 1.00 64.42 H new ATOM 1633 N LEU A 105 6.847 -1.664 -12.994 1.00 52.41 N ATOM 1634 CA LEU A 105 5.918 -0.545 -12.825 1.00 71.42 C ATOM 1635 C LEU A 105 6.554 0.813 -13.148 1.00 64.05 C ATOM 1636 O LEU A 105 5.845 1.806 -13.259 1.00 3.31 O ATOM 1637 CB LEU A 105 5.345 -0.536 -11.403 1.00 62.12 C ATOM 1638 CG LEU A 105 4.367 -1.680 -11.094 1.00 13.15 C ATOM 1639 CD1 LEU A 105 3.860 -1.579 -9.662 1.00 63.32 C ATOM 1640 CD2 LEU A 105 3.201 -1.669 -12.084 1.00 12.41 C ATOM 0 H LEU A 105 7.246 -2.017 -12.124 1.00 52.41 H new ATOM 0 HA LEU A 105 5.112 -0.696 -13.543 1.00 71.42 H new ATOM 0 HB2 LEU A 105 6.171 -0.582 -10.693 1.00 62.12 H new ATOM 0 HB3 LEU A 105 4.835 0.413 -11.238 1.00 62.12 H new ATOM 0 HG LEU A 105 4.898 -2.626 -11.201 1.00 13.15 H new ATOM 0 HD11 LEU A 105 3.169 -2.398 -9.462 1.00 63.32 H new ATOM 0 HD12 LEU A 105 4.702 -1.639 -8.973 1.00 63.32 H new ATOM 0 HD13 LEU A 105 3.345 -0.628 -9.524 1.00 63.32 H new ATOM 0 HD21 LEU A 105 2.518 -2.486 -11.851 1.00 12.41 H new ATOM 0 HD22 LEU A 105 2.670 -0.720 -12.010 1.00 12.41 H new ATOM 0 HD23 LEU A 105 3.583 -1.794 -13.097 1.00 12.41 H new ATOM 1652 N GLU A 106 7.876 0.858 -13.319 1.00 71.31 N ATOM 1653 CA GLU A 106 8.556 2.113 -13.675 1.00 3.33 C ATOM 1654 C GLU A 106 7.995 2.701 -14.981 1.00 2.43 C ATOM 1655 O GLU A 106 7.960 3.920 -15.163 1.00 50.12 O ATOM 1656 CB GLU A 106 10.073 1.896 -13.792 1.00 60.01 C ATOM 1657 CG GLU A 106 10.775 1.689 -12.450 1.00 53.00 C ATOM 1658 CD GLU A 106 10.693 2.914 -11.545 1.00 72.42 C ATOM 1659 OE1 GLU A 106 11.109 4.009 -11.985 1.00 52.31 O ATOM 1660 OE2 GLU A 106 10.212 2.795 -10.398 1.00 53.03 O ATOM 0 H GLU A 106 8.494 0.053 -13.219 1.00 71.31 H new ATOM 0 HA GLU A 106 8.369 2.829 -12.875 1.00 3.33 H new ATOM 0 HB2 GLU A 106 10.258 1.028 -14.425 1.00 60.01 H new ATOM 0 HB3 GLU A 106 10.516 2.757 -14.293 1.00 60.01 H new ATOM 0 HG2 GLU A 106 10.329 0.835 -11.940 1.00 53.00 H new ATOM 0 HG3 GLU A 106 11.822 1.443 -12.627 1.00 53.00 H new ATOM 1667 N GLY A 107 7.558 1.826 -15.886 1.00 43.51 N ATOM 1668 CA GLY A 107 6.906 2.273 -17.112 1.00 34.14 C ATOM 1669 C GLY A 107 5.499 2.829 -16.882 1.00 42.15 C ATOM 1670 O GLY A 107 5.009 3.641 -17.668 1.00 24.05 O ATOM 0 H GLY A 107 7.643 0.814 -15.794 1.00 43.51 H new ATOM 0 HA2 GLY A 107 7.520 3.041 -17.582 1.00 34.14 H new ATOM 0 HA3 GLY A 107 6.849 1.438 -17.810 1.00 34.14 H new ATOM 1674 N TYR A 108 4.847 2.397 -15.801 1.00 32.01 N ATOM 1675 CA TYR A 108 3.493 2.864 -15.466 1.00 4.42 C ATOM 1676 C TYR A 108 3.527 3.915 -14.346 1.00 22.23 C ATOM 1677 O TYR A 108 3.209 5.086 -14.567 1.00 60.13 O ATOM 1678 CB TYR A 108 2.602 1.686 -15.044 1.00 5.51 C ATOM 1679 CG TYR A 108 2.310 0.702 -16.160 1.00 53.34 C ATOM 1680 CD1 TYR A 108 1.477 1.051 -17.216 1.00 51.43 C ATOM 1681 CD2 TYR A 108 2.860 -0.574 -16.153 1.00 24.10 C ATOM 1682 CE1 TYR A 108 1.200 0.158 -18.231 1.00 50.45 C ATOM 1683 CE2 TYR A 108 2.588 -1.473 -17.166 1.00 50.23 C ATOM 1684 CZ TYR A 108 1.757 -1.100 -18.204 1.00 54.41 C ATOM 1685 OH TYR A 108 1.486 -1.984 -19.224 1.00 43.44 O ATOM 0 H TYR A 108 5.232 1.723 -15.139 1.00 32.01 H new ATOM 0 HA TYR A 108 3.075 3.325 -16.361 1.00 4.42 H new ATOM 0 HB2 TYR A 108 3.084 1.155 -14.223 1.00 5.51 H new ATOM 0 HB3 TYR A 108 1.659 2.076 -14.662 1.00 5.51 H new ATOM 0 HD1 TYR A 108 1.039 2.038 -17.243 1.00 51.43 H new ATOM 0 HD2 TYR A 108 3.511 -0.868 -15.343 1.00 24.10 H new ATOM 0 HE1 TYR A 108 0.549 0.445 -19.043 1.00 50.45 H new ATOM 0 HE2 TYR A 108 3.023 -2.462 -17.146 1.00 50.23 H new ATOM 0 HH TYR A 108 1.955 -2.828 -19.059 1.00 43.44 H new ATOM 1695 N LEU A 109 3.901 3.485 -13.139 1.00 51.01 N ATOM 1696 CA LEU A 109 4.004 4.390 -11.988 1.00 60.34 C ATOM 1697 C LEU A 109 5.428 4.407 -11.412 1.00 52.31 C ATOM 1698 O LEU A 109 5.778 3.563 -10.585 1.00 63.41 O ATOM 1699 CB LEU A 109 3.023 3.991 -10.871 1.00 13.01 C ATOM 1700 CG LEU A 109 1.595 3.632 -11.317 1.00 40.40 C ATOM 1701 CD1 LEU A 109 1.493 2.147 -11.660 1.00 52.42 C ATOM 1702 CD2 LEU A 109 0.584 4.018 -10.239 1.00 21.42 C ATOM 0 H LEU A 109 4.138 2.515 -12.931 1.00 51.01 H new ATOM 0 HA LEU A 109 3.751 5.386 -12.352 1.00 60.34 H new ATOM 0 HB2 LEU A 109 3.440 3.137 -10.338 1.00 13.01 H new ATOM 0 HB3 LEU A 109 2.963 4.813 -10.158 1.00 13.01 H new ATOM 0 HG LEU A 109 1.362 4.200 -12.218 1.00 40.40 H new ATOM 0 HD11 LEU A 109 0.475 1.915 -11.973 1.00 52.42 H new ATOM 0 HD12 LEU A 109 2.184 1.912 -12.470 1.00 52.42 H new ATOM 0 HD13 LEU A 109 1.747 1.553 -10.782 1.00 52.42 H new ATOM 0 HD21 LEU A 109 -0.420 3.757 -10.572 1.00 21.42 H new ATOM 0 HD22 LEU A 109 0.812 3.482 -9.318 1.00 21.42 H new ATOM 0 HD23 LEU A 109 0.638 5.091 -10.057 1.00 21.42 H new ATOM 1714 N PRO A 110 6.279 5.352 -11.851 1.00 24.24 N ATOM 1715 CA PRO A 110 7.610 5.536 -11.258 1.00 32.21 C ATOM 1716 C PRO A 110 7.517 6.032 -9.806 1.00 71.12 C ATOM 1717 O PRO A 110 6.501 6.615 -9.405 1.00 13.42 O ATOM 1718 CB PRO A 110 8.263 6.592 -12.164 1.00 1.12 C ATOM 1719 CG PRO A 110 7.119 7.316 -12.793 1.00 13.22 C ATOM 1720 CD PRO A 110 6.025 6.294 -12.958 1.00 31.04 C ATOM 0 HA PRO A 110 8.179 4.608 -11.207 1.00 32.21 H new ATOM 0 HB2 PRO A 110 8.893 7.271 -11.589 1.00 1.12 H new ATOM 0 HB3 PRO A 110 8.899 6.128 -12.917 1.00 1.12 H new ATOM 0 HG2 PRO A 110 6.789 8.144 -12.166 1.00 13.22 H new ATOM 0 HG3 PRO A 110 7.406 7.740 -13.755 1.00 13.22 H new ATOM 0 HD2 PRO A 110 5.036 6.746 -12.884 1.00 31.04 H new ATOM 0 HD3 PRO A 110 6.078 5.800 -13.928 1.00 31.04 H new ATOM 1728 N ASP A 111 8.573 5.814 -9.023 1.00 41.30 N ATOM 1729 CA ASP A 111 8.579 6.195 -7.603 1.00 52.14 C ATOM 1730 C ASP A 111 8.109 7.649 -7.384 1.00 23.21 C ATOM 1731 O ASP A 111 7.464 7.954 -6.381 1.00 42.33 O ATOM 1732 CB ASP A 111 9.971 5.974 -7.001 1.00 61.41 C ATOM 1733 CG ASP A 111 11.057 6.750 -7.724 1.00 1.24 C ATOM 1734 OD1 ASP A 111 11.331 6.444 -8.903 1.00 3.42 O ATOM 1735 OD2 ASP A 111 11.646 7.666 -7.122 1.00 62.10 O ATOM 0 H ASP A 111 9.437 5.376 -9.344 1.00 41.30 H new ATOM 0 HA ASP A 111 7.864 5.553 -7.089 1.00 52.14 H new ATOM 0 HB2 ASP A 111 9.958 6.268 -5.952 1.00 61.41 H new ATOM 0 HB3 ASP A 111 10.210 4.911 -7.031 1.00 61.41 H new ATOM 1740 N GLY A 112 8.421 8.535 -8.332 1.00 53.53 N ATOM 1741 CA GLY A 112 7.942 9.915 -8.259 1.00 40.20 C ATOM 1742 C GLY A 112 6.414 10.020 -8.283 1.00 35.33 C ATOM 1743 O GLY A 112 5.821 10.760 -7.490 1.00 11.31 O ATOM 0 H GLY A 112 8.995 8.325 -9.148 1.00 53.53 H new ATOM 0 HA2 GLY A 112 8.318 10.377 -7.346 1.00 40.20 H new ATOM 0 HA3 GLY A 112 8.353 10.481 -9.095 1.00 40.20 H new ATOM 1747 N LEU A 113 5.776 9.279 -9.193 1.00 75.43 N ATOM 1748 CA LEU A 113 4.309 9.242 -9.289 1.00 74.41 C ATOM 1749 C LEU A 113 3.691 8.633 -8.021 1.00 41.25 C ATOM 1750 O LEU A 113 2.621 9.050 -7.572 1.00 1.42 O ATOM 1751 CB LEU A 113 3.874 8.447 -10.532 1.00 70.14 C ATOM 1752 CG LEU A 113 2.352 8.281 -10.723 1.00 21.43 C ATOM 1753 CD1 LEU A 113 1.651 9.637 -10.775 1.00 75.13 C ATOM 1754 CD2 LEU A 113 2.050 7.476 -11.983 1.00 63.01 C ATOM 0 H LEU A 113 6.253 8.693 -9.878 1.00 75.43 H new ATOM 0 HA LEU A 113 3.949 10.266 -9.384 1.00 74.41 H new ATOM 0 HB2 LEU A 113 4.281 8.939 -11.416 1.00 70.14 H new ATOM 0 HB3 LEU A 113 4.325 7.456 -10.483 1.00 70.14 H new ATOM 0 HG LEU A 113 1.967 7.734 -9.862 1.00 21.43 H new ATOM 0 HD11 LEU A 113 0.580 9.488 -10.910 1.00 75.13 H new ATOM 0 HD12 LEU A 113 1.828 10.174 -9.843 1.00 75.13 H new ATOM 0 HD13 LEU A 113 2.045 10.218 -11.609 1.00 75.13 H new ATOM 0 HD21 LEU A 113 0.971 7.371 -12.098 1.00 63.01 H new ATOM 0 HD22 LEU A 113 2.459 7.992 -12.851 1.00 63.01 H new ATOM 0 HD23 LEU A 113 2.504 6.488 -11.901 1.00 63.01 H new ATOM 1766 N LEU A 114 4.376 7.649 -7.443 1.00 31.40 N ATOM 1767 CA LEU A 114 3.948 7.053 -6.174 1.00 5.13 C ATOM 1768 C LEU A 114 3.900 8.112 -5.059 1.00 24.43 C ATOM 1769 O LEU A 114 2.932 8.189 -4.301 1.00 51.33 O ATOM 1770 CB LEU A 114 4.893 5.910 -5.786 1.00 43.13 C ATOM 1771 CG LEU A 114 4.977 4.760 -6.803 1.00 0.01 C ATOM 1772 CD1 LEU A 114 6.008 3.727 -6.365 1.00 34.14 C ATOM 1773 CD2 LEU A 114 3.607 4.109 -7.005 1.00 12.22 C ATOM 0 H LEU A 114 5.229 7.246 -7.830 1.00 31.40 H new ATOM 0 HA LEU A 114 2.942 6.653 -6.303 1.00 5.13 H new ATOM 0 HB2 LEU A 114 5.893 6.319 -5.640 1.00 43.13 H new ATOM 0 HB3 LEU A 114 4.572 5.504 -4.827 1.00 43.13 H new ATOM 0 HG LEU A 114 5.297 5.176 -7.759 1.00 0.01 H new ATOM 0 HD11 LEU A 114 6.051 2.922 -7.099 1.00 34.14 H new ATOM 0 HD12 LEU A 114 6.987 4.200 -6.287 1.00 34.14 H new ATOM 0 HD13 LEU A 114 5.725 3.319 -5.395 1.00 34.14 H new ATOM 0 HD21 LEU A 114 3.692 3.298 -7.729 1.00 12.22 H new ATOM 0 HD22 LEU A 114 3.250 3.711 -6.055 1.00 12.22 H new ATOM 0 HD23 LEU A 114 2.902 4.853 -7.375 1.00 12.22 H new ATOM 1785 N SER A 115 4.945 8.940 -4.982 1.00 43.14 N ATOM 1786 CA SER A 115 4.989 10.049 -4.014 1.00 32.24 C ATOM 1787 C SER A 115 3.882 11.076 -4.299 1.00 31.24 C ATOM 1788 O SER A 115 3.304 11.656 -3.376 1.00 13.34 O ATOM 1789 CB SER A 115 6.360 10.740 -4.046 1.00 12.42 C ATOM 1790 OG SER A 115 7.393 9.853 -3.649 1.00 50.13 O ATOM 0 H SER A 115 5.772 8.867 -5.575 1.00 43.14 H new ATOM 0 HA SER A 115 4.825 9.629 -3.022 1.00 32.24 H new ATOM 0 HB2 SER A 115 6.561 11.108 -5.052 1.00 12.42 H new ATOM 0 HB3 SER A 115 6.348 11.607 -3.385 1.00 12.42 H new ATOM 0 HG SER A 115 7.531 9.179 -4.347 1.00 50.13 H new ATOM 1796 N ARG A 116 3.601 11.294 -5.584 1.00 64.53 N ATOM 1797 CA ARG A 116 2.477 12.135 -6.025 1.00 70.44 C ATOM 1798 C ARG A 116 1.148 11.650 -5.414 1.00 1.41 C ATOM 1799 O ARG A 116 0.358 12.446 -4.902 1.00 33.24 O ATOM 1800 CB ARG A 116 2.422 12.126 -7.570 1.00 63.14 C ATOM 1801 CG ARG A 116 1.036 12.301 -8.193 1.00 23.31 C ATOM 1802 CD ARG A 116 0.452 13.694 -7.985 1.00 13.22 C ATOM 1803 NE ARG A 116 -0.813 13.843 -8.707 1.00 20.33 N ATOM 1804 CZ ARG A 116 -1.889 14.386 -8.215 1.00 1.12 C ATOM 1805 NH1 ARG A 116 -1.890 14.873 -7.021 1.00 62.10 N ATOM 1806 NH2 ARG A 116 -2.966 14.441 -8.924 1.00 60.03 N ATOM 0 H ARG A 116 4.142 10.895 -6.351 1.00 64.53 H new ATOM 0 HA ARG A 116 2.631 13.157 -5.678 1.00 70.44 H new ATOM 0 HB2 ARG A 116 3.068 12.921 -7.941 1.00 63.14 H new ATOM 0 HB3 ARG A 116 2.841 11.184 -7.923 1.00 63.14 H new ATOM 0 HG2 ARG A 116 1.097 12.096 -9.262 1.00 23.31 H new ATOM 0 HG3 ARG A 116 0.357 11.563 -7.766 1.00 23.31 H new ATOM 0 HD2 ARG A 116 0.291 13.870 -6.921 1.00 13.22 H new ATOM 0 HD3 ARG A 116 1.162 14.446 -8.329 1.00 13.22 H new ATOM 0 HE ARG A 116 -0.854 13.496 -9.665 1.00 20.33 H new ATOM 0 HH11 ARG A 116 -1.043 14.835 -6.454 1.00 62.10 H new ATOM 0 HH12 ARG A 116 -2.738 15.297 -6.644 1.00 62.10 H new ATOM 0 HH21 ARG A 116 -2.974 14.059 -9.870 1.00 60.03 H new ATOM 0 HH22 ARG A 116 -3.809 14.866 -8.539 1.00 60.03 H new ATOM 1820 N ILE A 117 0.920 10.340 -5.462 1.00 63.14 N ATOM 1821 CA ILE A 117 -0.283 9.739 -4.875 1.00 13.41 C ATOM 1822 C ILE A 117 -0.304 9.899 -3.344 1.00 2.22 C ATOM 1823 O ILE A 117 -1.283 10.393 -2.769 1.00 54.22 O ATOM 1824 CB ILE A 117 -0.383 8.234 -5.238 1.00 55.24 C ATOM 1825 CG1 ILE A 117 -0.448 8.056 -6.766 1.00 41.42 C ATOM 1826 CG2 ILE A 117 -1.597 7.589 -4.562 1.00 24.32 C ATOM 1827 CD1 ILE A 117 -0.486 6.610 -7.218 1.00 53.13 C ATOM 0 H ILE A 117 1.551 9.670 -5.901 1.00 63.14 H new ATOM 0 HA ILE A 117 -1.141 10.267 -5.292 1.00 13.41 H new ATOM 0 HB ILE A 117 0.511 7.731 -4.870 1.00 55.24 H new ATOM 0 HG12 ILE A 117 -1.334 8.567 -7.143 1.00 41.42 H new ATOM 0 HG13 ILE A 117 0.417 8.544 -7.215 1.00 41.42 H new ATOM 0 HG21 ILE A 117 -1.646 6.534 -4.832 1.00 24.32 H new ATOM 0 HG22 ILE A 117 -1.504 7.683 -3.480 1.00 24.32 H new ATOM 0 HG23 ILE A 117 -2.507 8.090 -4.893 1.00 24.32 H new ATOM 0 HD11 ILE A 117 -0.531 6.570 -8.306 1.00 53.13 H new ATOM 0 HD12 ILE A 117 0.412 6.097 -6.873 1.00 53.13 H new ATOM 0 HD13 ILE A 117 -1.366 6.121 -6.800 1.00 53.13 H new ATOM 1839 N ILE A 118 0.789 9.494 -2.691 1.00 61.12 N ATOM 1840 CA ILE A 118 0.892 9.552 -1.226 1.00 20.23 C ATOM 1841 C ILE A 118 0.661 10.970 -0.684 1.00 21.12 C ATOM 1842 O ILE A 118 -0.219 11.201 0.148 1.00 72.51 O ATOM 1843 CB ILE A 118 2.287 9.072 -0.737 1.00 24.52 C ATOM 1844 CG1 ILE A 118 2.566 7.635 -1.206 1.00 1.44 C ATOM 1845 CG2 ILE A 118 2.387 9.166 0.789 1.00 22.21 C ATOM 1846 CD1 ILE A 118 3.956 7.139 -0.857 1.00 2.44 C ATOM 0 H ILE A 118 1.618 9.121 -3.153 1.00 61.12 H new ATOM 0 HA ILE A 118 0.113 8.890 -0.847 1.00 20.23 H new ATOM 0 HB ILE A 118 3.041 9.727 -1.173 1.00 24.52 H new ATOM 0 HG12 ILE A 118 1.829 6.967 -0.760 1.00 1.44 H new ATOM 0 HG13 ILE A 118 2.432 7.582 -2.286 1.00 1.44 H new ATOM 0 HG21 ILE A 118 3.371 8.825 1.111 1.00 22.21 H new ATOM 0 HG22 ILE A 118 2.241 10.200 1.100 1.00 22.21 H new ATOM 0 HG23 ILE A 118 1.620 8.539 1.243 1.00 22.21 H new ATOM 0 HD11 ILE A 118 4.080 6.118 -1.219 1.00 2.44 H new ATOM 0 HD12 ILE A 118 4.700 7.783 -1.325 1.00 2.44 H new ATOM 0 HD13 ILE A 118 4.088 7.158 0.225 1.00 2.44 H new ATOM 1858 N HIS A 119 1.442 11.923 -1.176 1.00 72.21 N ATOM 1859 CA HIS A 119 1.478 13.257 -0.578 1.00 75.14 C ATOM 1860 C HIS A 119 0.191 14.057 -0.835 1.00 23.34 C ATOM 1861 O HIS A 119 -0.204 14.883 -0.011 1.00 62.41 O ATOM 1862 CB HIS A 119 2.695 14.042 -1.079 1.00 72.41 C ATOM 1863 CG HIS A 119 3.161 15.065 -0.089 1.00 21.42 C ATOM 1864 ND1 HIS A 119 2.517 16.264 0.129 1.00 13.14 N ATOM 1865 CD2 HIS A 119 4.193 15.036 0.785 1.00 71.23 C ATOM 1866 CE1 HIS A 119 3.129 16.921 1.091 1.00 2.43 C ATOM 1867 NE2 HIS A 119 4.148 16.200 1.505 1.00 1.04 N ATOM 0 H HIS A 119 2.056 11.802 -1.981 1.00 72.21 H new ATOM 0 HA HIS A 119 1.559 13.113 0.499 1.00 75.14 H new ATOM 0 HB2 HIS A 119 3.509 13.349 -1.292 1.00 72.41 H new ATOM 0 HB3 HIS A 119 2.444 14.536 -2.017 1.00 72.41 H new ATOM 0 HD2 HIS A 119 4.918 14.243 0.895 1.00 71.23 H new ATOM 0 HE1 HIS A 119 2.843 17.889 1.476 1.00 2.43 H new ATOM 0 HE2 HIS A 119 4.800 16.465 2.243 1.00 1.04 H new ATOM 1876 N ASP A 120 -0.461 13.818 -1.964 1.00 72.35 N ATOM 1877 CA ASP A 120 -1.638 14.604 -2.339 1.00 15.45 C ATOM 1878 C ASP A 120 -2.941 14.017 -1.768 1.00 0.52 C ATOM 1879 O ASP A 120 -3.783 14.754 -1.253 1.00 32.03 O ATOM 1880 CB ASP A 120 -1.726 14.712 -3.859 1.00 4.53 C ATOM 1881 CG ASP A 120 -2.744 15.747 -4.306 1.00 20.10 C ATOM 1882 OD1 ASP A 120 -2.601 16.927 -3.931 1.00 44.45 O ATOM 1883 OD2 ASP A 120 -3.686 15.391 -5.043 1.00 23.05 O ATOM 0 H ASP A 120 -0.202 13.094 -2.634 1.00 72.35 H new ATOM 0 HA ASP A 120 -1.520 15.598 -1.907 1.00 15.45 H new ATOM 0 HB2 ASP A 120 -0.746 14.973 -4.260 1.00 4.53 H new ATOM 0 HB3 ASP A 120 -1.992 13.740 -4.275 1.00 4.53 H new ATOM 1888 N ARG A 121 -3.110 12.696 -1.862 1.00 13.31 N ATOM 1889 CA ARG A 121 -4.357 12.049 -1.420 1.00 22.04 C ATOM 1890 C ARG A 121 -4.243 11.440 -0.007 1.00 4.14 C ATOM 1891 O ARG A 121 -5.138 11.611 0.821 1.00 74.01 O ATOM 1892 CB ARG A 121 -4.787 10.972 -2.429 1.00 1.43 C ATOM 1893 CG ARG A 121 -4.993 11.503 -3.848 1.00 31.35 C ATOM 1894 CD ARG A 121 -5.690 10.480 -4.749 1.00 34.12 C ATOM 1895 NE ARG A 121 -7.042 10.172 -4.280 1.00 21.23 N ATOM 1896 CZ ARG A 121 -7.979 9.627 -5.006 1.00 34.42 C ATOM 1897 NH1 ARG A 121 -7.775 9.307 -6.244 1.00 71.02 N ATOM 1898 NH2 ARG A 121 -9.138 9.405 -4.485 1.00 74.42 N ATOM 0 H ARG A 121 -2.410 12.055 -2.236 1.00 13.31 H new ATOM 0 HA ARG A 121 -5.118 12.828 -1.372 1.00 22.04 H new ATOM 0 HB2 ARG A 121 -4.032 10.186 -2.451 1.00 1.43 H new ATOM 0 HB3 ARG A 121 -5.714 10.514 -2.084 1.00 1.43 H new ATOM 0 HG2 ARG A 121 -5.587 12.416 -3.810 1.00 31.35 H new ATOM 0 HG3 ARG A 121 -4.028 11.768 -4.280 1.00 31.35 H new ATOM 0 HD2 ARG A 121 -5.738 10.866 -5.767 1.00 34.12 H new ATOM 0 HD3 ARG A 121 -5.100 9.564 -4.783 1.00 34.12 H new ATOM 0 HE ARG A 121 -7.269 10.401 -3.312 1.00 21.23 H new ATOM 0 HH11 ARG A 121 -6.866 9.480 -6.672 1.00 71.02 H new ATOM 0 HH12 ARG A 121 -8.524 8.882 -6.791 1.00 71.02 H new ATOM 0 HH21 ARG A 121 -9.316 9.655 -3.512 1.00 74.42 H new ATOM 0 HH22 ARG A 121 -9.876 8.979 -5.046 1.00 74.42 H new ATOM 1912 N MET A 122 -3.143 10.742 0.276 1.00 14.53 N ATOM 1913 CA MET A 122 -2.989 10.047 1.570 1.00 31.44 C ATOM 1914 C MET A 122 -2.739 11.010 2.745 1.00 61.14 C ATOM 1915 O MET A 122 -3.390 10.904 3.786 1.00 72.31 O ATOM 1916 CB MET A 122 -1.858 9.012 1.498 1.00 72.44 C ATOM 1917 CG MET A 122 -2.222 7.752 0.730 1.00 71.12 C ATOM 1918 SD MET A 122 -0.876 6.552 0.716 1.00 75.53 S ATOM 1919 CE MET A 122 -1.719 5.098 0.100 1.00 72.42 C ATOM 0 H MET A 122 -2.351 10.639 -0.359 1.00 14.53 H new ATOM 0 HA MET A 122 -3.937 9.544 1.761 1.00 31.44 H new ATOM 0 HB2 MET A 122 -0.988 9.472 1.030 1.00 72.44 H new ATOM 0 HB3 MET A 122 -1.567 8.736 2.511 1.00 72.44 H new ATOM 0 HG2 MET A 122 -3.107 7.298 1.177 1.00 71.12 H new ATOM 0 HG3 MET A 122 -2.483 8.016 -0.295 1.00 71.12 H new ATOM 0 HE1 MET A 122 -1.295 4.208 0.564 1.00 72.42 H new ATOM 0 HE2 MET A 122 -2.780 5.163 0.342 1.00 72.42 H new ATOM 0 HE3 MET A 122 -1.597 5.037 -0.981 1.00 72.42 H new ATOM 1929 N ILE A 123 -1.796 11.942 2.579 1.00 34.13 N ATOM 1930 CA ILE A 123 -1.425 12.882 3.657 1.00 33.44 C ATOM 1931 C ILE A 123 -2.647 13.580 4.305 1.00 31.14 C ATOM 1932 O ILE A 123 -2.819 13.504 5.525 1.00 34.44 O ATOM 1933 CB ILE A 123 -0.408 13.949 3.162 1.00 12.40 C ATOM 1934 CG1 ILE A 123 0.939 13.293 2.809 1.00 20.31 C ATOM 1935 CG2 ILE A 123 -0.212 15.050 4.207 1.00 63.32 C ATOM 1936 CD1 ILE A 123 1.684 12.718 3.996 1.00 0.34 C ATOM 0 H ILE A 123 -1.273 12.071 1.713 1.00 34.13 H new ATOM 0 HA ILE A 123 -0.954 12.270 4.426 1.00 33.44 H new ATOM 0 HB ILE A 123 -0.815 14.408 2.261 1.00 12.40 H new ATOM 0 HG12 ILE A 123 0.763 12.497 2.085 1.00 20.31 H new ATOM 0 HG13 ILE A 123 1.573 14.033 2.321 1.00 20.31 H new ATOM 0 HG21 ILE A 123 0.504 15.782 3.834 1.00 63.32 H new ATOM 0 HG22 ILE A 123 -1.165 15.541 4.401 1.00 63.32 H new ATOM 0 HG23 ILE A 123 0.165 14.612 5.131 1.00 63.32 H new ATOM 0 HD11 ILE A 123 2.621 12.276 3.658 1.00 0.34 H new ATOM 0 HD12 ILE A 123 1.895 13.512 4.712 1.00 0.34 H new ATOM 0 HD13 ILE A 123 1.073 11.952 4.473 1.00 0.34 H new ATOM 1948 N PRO A 124 -3.520 14.264 3.522 1.00 1.24 N ATOM 1949 CA PRO A 124 -4.704 14.945 4.081 1.00 41.51 C ATOM 1950 C PRO A 124 -5.616 13.987 4.872 1.00 3.45 C ATOM 1951 O PRO A 124 -6.151 14.350 5.923 1.00 62.54 O ATOM 1952 CB PRO A 124 -5.432 15.504 2.843 1.00 21.44 C ATOM 1953 CG PRO A 124 -4.860 14.761 1.681 1.00 44.13 C ATOM 1954 CD PRO A 124 -3.442 14.431 2.059 1.00 15.21 C ATOM 0 HA PRO A 124 -4.423 15.717 4.798 1.00 41.51 H new ATOM 0 HB2 PRO A 124 -6.509 15.350 2.917 1.00 21.44 H new ATOM 0 HB3 PRO A 124 -5.270 16.577 2.742 1.00 21.44 H new ATOM 0 HG2 PRO A 124 -5.431 13.855 1.478 1.00 44.13 H new ATOM 0 HG3 PRO A 124 -4.892 15.368 0.776 1.00 44.13 H new ATOM 0 HD2 PRO A 124 -3.094 13.523 1.567 1.00 15.21 H new ATOM 0 HD3 PRO A 124 -2.754 15.229 1.780 1.00 15.21 H new ATOM 1962 N HIS A 125 -5.772 12.759 4.375 1.00 63.51 N ATOM 1963 CA HIS A 125 -6.579 11.749 5.066 1.00 45.32 C ATOM 1964 C HIS A 125 -5.946 11.338 6.405 1.00 61.22 C ATOM 1965 O HIS A 125 -6.617 11.335 7.438 1.00 52.30 O ATOM 1966 CB HIS A 125 -6.803 10.521 4.171 1.00 51.43 C ATOM 1967 CG HIS A 125 -7.898 10.712 3.166 1.00 31.11 C ATOM 1968 ND1 HIS A 125 -9.083 11.313 3.517 1.00 23.21 N ATOM 1969 CD2 HIS A 125 -7.951 10.368 1.856 1.00 23.14 C ATOM 1970 CE1 HIS A 125 -9.825 11.321 2.423 1.00 1.54 C ATOM 1971 NE2 HIS A 125 -9.182 10.761 1.394 1.00 31.41 N ATOM 0 H HIS A 125 -5.353 12.440 3.501 1.00 63.51 H new ATOM 0 HA HIS A 125 -7.548 12.198 5.283 1.00 45.32 H new ATOM 0 HB2 HIS A 125 -5.876 10.287 3.648 1.00 51.43 H new ATOM 0 HB3 HIS A 125 -7.041 9.662 4.798 1.00 51.43 H new ATOM 0 HD2 HIS A 125 -7.175 9.879 1.286 1.00 23.14 H new ATOM 0 HE1 HIS A 125 -10.824 11.728 2.368 1.00 1.54 H new ATOM 0 HE2 HIS A 125 -9.539 10.647 0.445 1.00 31.41 H new ATOM 1979 N PHE A 126 -4.652 11.013 6.392 1.00 42.24 N ATOM 1980 CA PHE A 126 -3.940 10.632 7.623 1.00 31.33 C ATOM 1981 C PHE A 126 -3.979 11.765 8.664 1.00 40.51 C ATOM 1982 O PHE A 126 -4.071 11.513 9.866 1.00 50.54 O ATOM 1983 CB PHE A 126 -2.483 10.246 7.318 1.00 51.13 C ATOM 1984 CG PHE A 126 -2.335 9.045 6.408 1.00 13.22 C ATOM 1985 CD1 PHE A 126 -3.302 8.044 6.375 1.00 72.12 C ATOM 1986 CD2 PHE A 126 -1.228 8.922 5.580 1.00 65.03 C ATOM 1987 CE1 PHE A 126 -3.162 6.950 5.541 1.00 70.51 C ATOM 1988 CE2 PHE A 126 -1.086 7.830 4.746 1.00 31.32 C ATOM 1989 CZ PHE A 126 -2.053 6.843 4.725 1.00 63.52 C ATOM 0 H PHE A 126 -4.075 11.004 5.551 1.00 42.24 H new ATOM 0 HA PHE A 126 -4.451 9.765 8.041 1.00 31.33 H new ATOM 0 HB2 PHE A 126 -1.982 11.099 6.860 1.00 51.13 H new ATOM 0 HB3 PHE A 126 -1.969 10.041 8.257 1.00 51.13 H new ATOM 0 HD1 PHE A 126 -4.173 8.123 7.009 1.00 72.12 H new ATOM 0 HD2 PHE A 126 -0.468 9.690 5.588 1.00 65.03 H new ATOM 0 HE1 PHE A 126 -3.919 6.180 5.528 1.00 70.51 H new ATOM 0 HE2 PHE A 126 -0.218 7.747 4.109 1.00 31.32 H new ATOM 0 HZ PHE A 126 -1.942 5.990 4.072 1.00 63.52 H new ATOM 1999 N ARG A 127 -3.913 13.010 8.192 1.00 71.44 N ATOM 2000 CA ARG A 127 -4.046 14.183 9.068 1.00 41.53 C ATOM 2001 C ARG A 127 -5.466 14.297 9.648 1.00 4.41 C ATOM 2002 O ARG A 127 -5.652 14.724 10.787 1.00 62.52 O ATOM 2003 CB ARG A 127 -3.699 15.468 8.302 1.00 31.42 C ATOM 2004 CG ARG A 127 -2.226 15.587 7.924 1.00 21.42 C ATOM 2005 CD ARG A 127 -1.964 16.830 7.078 1.00 52.22 C ATOM 2006 NE ARG A 127 -2.423 18.057 7.735 1.00 1.45 N ATOM 2007 CZ ARG A 127 -2.034 19.263 7.413 1.00 61.52 C ATOM 2008 NH1 ARG A 127 -1.130 19.454 6.504 1.00 51.00 N ATOM 2009 NH2 ARG A 127 -2.538 20.281 8.027 1.00 12.42 N ATOM 0 H ARG A 127 -3.768 13.236 7.208 1.00 71.44 H new ATOM 0 HA ARG A 127 -3.347 14.053 9.894 1.00 41.53 H new ATOM 0 HB2 ARG A 127 -4.301 15.511 7.394 1.00 31.42 H new ATOM 0 HB3 ARG A 127 -3.978 16.328 8.911 1.00 31.42 H new ATOM 0 HG2 ARG A 127 -1.619 15.627 8.829 1.00 21.42 H new ATOM 0 HG3 ARG A 127 -1.918 14.699 7.372 1.00 21.42 H new ATOM 0 HD2 ARG A 127 -0.896 16.908 6.872 1.00 52.22 H new ATOM 0 HD3 ARG A 127 -2.467 16.725 6.117 1.00 52.22 H new ATOM 0 HE ARG A 127 -3.094 17.963 8.498 1.00 1.45 H new ATOM 0 HH11 ARG A 127 -0.710 18.656 6.027 1.00 51.00 H new ATOM 0 HH12 ARG A 127 -0.839 20.402 6.266 1.00 51.00 H new ATOM 0 HH21 ARG A 127 -3.235 20.142 8.758 1.00 12.42 H new ATOM 0 HH22 ARG A 127 -2.239 21.225 7.781 1.00 12.42 H new ATOM 2023 N SER A 128 -6.465 13.936 8.846 1.00 33.30 N ATOM 2024 CA SER A 128 -7.868 13.949 9.293 1.00 24.43 C ATOM 2025 C SER A 128 -8.194 12.729 10.166 1.00 33.43 C ATOM 2026 O SER A 128 -9.139 12.752 10.957 1.00 25.14 O ATOM 2027 CB SER A 128 -8.811 13.982 8.082 1.00 72.04 C ATOM 2028 OG SER A 128 -8.559 15.113 7.261 1.00 53.34 O ATOM 0 H SER A 128 -6.336 13.630 7.882 1.00 33.30 H new ATOM 0 HA SER A 128 -8.013 14.847 9.894 1.00 24.43 H new ATOM 0 HB2 SER A 128 -8.687 13.071 7.497 1.00 72.04 H new ATOM 0 HB3 SER A 128 -9.846 14.002 8.425 1.00 72.04 H new ATOM 0 HG SER A 128 -7.748 14.959 6.733 1.00 53.34 H new ATOM 2034 N GLY A 129 -7.399 11.670 10.027 1.00 14.32 N ATOM 2035 CA GLY A 129 -7.640 10.433 10.768 1.00 4.34 C ATOM 2036 C GLY A 129 -8.151 9.300 9.881 1.00 73.34 C ATOM 2037 O GLY A 129 -8.403 8.192 10.356 1.00 32.33 O ATOM 0 H GLY A 129 -6.586 11.643 9.411 1.00 14.32 H new ATOM 0 HA2 GLY A 129 -6.715 10.120 11.253 1.00 4.34 H new ATOM 0 HA3 GLY A 129 -8.365 10.624 11.559 1.00 4.34 H new ATOM 2041 N ASN A 130 -8.299 9.577 8.587 1.00 51.20 N ATOM 2042 CA ASN A 130 -8.782 8.583 7.625 1.00 25.13 C ATOM 2043 C ASN A 130 -7.650 7.653 7.151 1.00 12.54 C ATOM 2044 O ASN A 130 -7.162 7.778 6.025 1.00 51.00 O ATOM 2045 CB ASN A 130 -9.404 9.271 6.406 1.00 1.42 C ATOM 2046 CG ASN A 130 -10.619 10.115 6.731 1.00 64.25 C ATOM 2047 OD1 ASN A 130 -11.322 9.878 7.707 1.00 61.43 O ATOM 2048 ND2 ASN A 130 -10.890 11.095 5.892 1.00 63.11 N ATOM 0 H ASN A 130 -8.090 10.487 8.177 1.00 51.20 H new ATOM 0 HA ASN A 130 -9.536 7.984 8.136 1.00 25.13 H new ATOM 0 HB2 ASN A 130 -8.651 9.902 5.934 1.00 1.42 H new ATOM 0 HB3 ASN A 130 -9.686 8.511 5.677 1.00 1.42 H new ATOM 0 HD21 ASN A 130 -11.708 11.686 6.045 1.00 63.11 H new ATOM 0 HD22 ASN A 130 -10.282 11.263 5.090 1.00 63.11 H new ATOM 2055 N TYR A 131 -7.230 6.731 8.008 1.00 65.13 N ATOM 2056 CA TYR A 131 -6.189 5.762 7.642 1.00 73.41 C ATOM 2057 C TYR A 131 -6.715 4.734 6.627 1.00 35.00 C ATOM 2058 O TYR A 131 -6.045 4.420 5.640 1.00 1.14 O ATOM 2059 CB TYR A 131 -5.642 5.065 8.895 1.00 62.10 C ATOM 2060 CG TYR A 131 -4.889 6.006 9.817 1.00 15.22 C ATOM 2061 CD1 TYR A 131 -3.528 6.235 9.641 1.00 24.35 C ATOM 2062 CD2 TYR A 131 -5.537 6.680 10.850 1.00 51.23 C ATOM 2063 CE1 TYR A 131 -2.839 7.104 10.462 1.00 5.24 C ATOM 2064 CE2 TYR A 131 -4.850 7.549 11.678 1.00 21.02 C ATOM 2065 CZ TYR A 131 -3.500 7.759 11.479 1.00 23.31 C ATOM 2066 OH TYR A 131 -2.809 8.633 12.290 1.00 34.20 O ATOM 0 H TYR A 131 -7.588 6.629 8.958 1.00 65.13 H new ATOM 0 HA TYR A 131 -5.373 6.306 7.166 1.00 73.41 H new ATOM 0 HB2 TYR A 131 -6.469 4.613 9.443 1.00 62.10 H new ATOM 0 HB3 TYR A 131 -4.979 4.254 8.593 1.00 62.10 H new ATOM 0 HD1 TYR A 131 -3.002 5.724 8.848 1.00 24.35 H new ATOM 0 HD2 TYR A 131 -6.594 6.521 11.007 1.00 51.23 H new ATOM 0 HE1 TYR A 131 -1.783 7.271 10.308 1.00 5.24 H new ATOM 0 HE2 TYR A 131 -5.367 8.061 12.476 1.00 21.02 H new ATOM 0 HH TYR A 131 -3.419 9.013 12.956 1.00 34.20 H new ATOM 2076 N ALA A 132 -7.922 4.223 6.872 1.00 34.01 N ATOM 2077 CA ALA A 132 -8.571 3.290 5.945 1.00 63.03 C ATOM 2078 C ALA A 132 -8.856 3.954 4.589 1.00 61.41 C ATOM 2079 O ALA A 132 -8.574 3.386 3.534 1.00 20.11 O ATOM 2080 CB ALA A 132 -9.867 2.755 6.551 1.00 31.41 C ATOM 0 H ALA A 132 -8.471 4.438 7.704 1.00 34.01 H new ATOM 0 HA ALA A 132 -7.886 2.459 5.776 1.00 63.03 H new ATOM 0 HB1 ALA A 132 -10.338 2.064 5.852 1.00 31.41 H new ATOM 0 HB2 ALA A 132 -9.645 2.234 7.482 1.00 31.41 H new ATOM 0 HB3 ALA A 132 -10.544 3.585 6.752 1.00 31.41 H new ATOM 2086 N GLU A 133 -9.414 5.165 4.635 1.00 61.10 N ATOM 2087 CA GLU A 133 -9.755 5.919 3.422 1.00 72.24 C ATOM 2088 C GLU A 133 -8.502 6.238 2.588 1.00 22.32 C ATOM 2089 O GLU A 133 -8.472 5.988 1.380 1.00 31.13 O ATOM 2090 CB GLU A 133 -10.485 7.222 3.792 1.00 54.10 C ATOM 2091 CG GLU A 133 -11.692 7.019 4.705 1.00 65.14 C ATOM 2092 CD GLU A 133 -12.699 6.028 4.145 1.00 54.34 C ATOM 2093 OE1 GLU A 133 -13.383 6.360 3.154 1.00 23.22 O ATOM 2094 OE2 GLU A 133 -12.798 4.905 4.684 1.00 64.23 O ATOM 0 H GLU A 133 -9.641 5.649 5.504 1.00 61.10 H new ATOM 0 HA GLU A 133 -10.414 5.296 2.818 1.00 72.24 H new ATOM 0 HB2 GLU A 133 -9.781 7.895 4.282 1.00 54.10 H new ATOM 0 HB3 GLU A 133 -10.813 7.715 2.877 1.00 54.10 H new ATOM 0 HG2 GLU A 133 -11.349 6.670 5.679 1.00 65.14 H new ATOM 0 HG3 GLU A 133 -12.185 7.978 4.866 1.00 65.14 H new ATOM 2101 N GLY A 134 -7.471 6.774 3.248 1.00 52.31 N ATOM 2102 CA GLY A 134 -6.223 7.109 2.568 1.00 23.15 C ATOM 2103 C GLY A 134 -5.617 5.930 1.810 1.00 23.34 C ATOM 2104 O GLY A 134 -5.298 6.041 0.624 1.00 63.43 O ATOM 0 H GLY A 134 -7.478 6.983 4.246 1.00 52.31 H new ATOM 0 HA2 GLY A 134 -6.405 7.927 1.870 1.00 23.15 H new ATOM 0 HA3 GLY A 134 -5.502 7.470 3.302 1.00 23.15 H new ATOM 2108 N LEU A 135 -5.461 4.795 2.493 1.00 15.14 N ATOM 2109 CA LEU A 135 -4.960 3.574 1.849 1.00 40.51 C ATOM 2110 C LEU A 135 -5.903 3.098 0.734 1.00 70.42 C ATOM 2111 O LEU A 135 -5.456 2.721 -0.349 1.00 12.44 O ATOM 2112 CB LEU A 135 -4.782 2.448 2.878 1.00 71.54 C ATOM 2113 CG LEU A 135 -3.724 2.698 3.962 1.00 64.52 C ATOM 2114 CD1 LEU A 135 -3.616 1.490 4.886 1.00 73.25 C ATOM 2115 CD2 LEU A 135 -2.369 3.024 3.334 1.00 75.21 C ATOM 0 H LEU A 135 -5.672 4.693 3.486 1.00 15.14 H new ATOM 0 HA LEU A 135 -3.993 3.818 1.408 1.00 40.51 H new ATOM 0 HB2 LEU A 135 -5.741 2.272 3.366 1.00 71.54 H new ATOM 0 HB3 LEU A 135 -4.522 1.533 2.346 1.00 71.54 H new ATOM 0 HG LEU A 135 -4.035 3.558 4.555 1.00 64.52 H new ATOM 0 HD11 LEU A 135 -2.862 1.682 5.649 1.00 73.25 H new ATOM 0 HD12 LEU A 135 -4.579 1.310 5.364 1.00 73.25 H new ATOM 0 HD13 LEU A 135 -3.330 0.613 4.306 1.00 73.25 H new ATOM 0 HD21 LEU A 135 -1.635 3.197 4.121 1.00 75.21 H new ATOM 0 HD22 LEU A 135 -2.045 2.188 2.714 1.00 75.21 H new ATOM 0 HD23 LEU A 135 -2.459 3.919 2.719 1.00 75.21 H new ATOM 2127 N SER A 136 -7.207 3.128 1.007 1.00 63.50 N ATOM 2128 CA SER A 136 -8.216 2.636 0.056 1.00 51.43 C ATOM 2129 C SER A 136 -8.143 3.360 -1.295 1.00 61.12 C ATOM 2130 O SER A 136 -7.971 2.724 -2.338 1.00 20.04 O ATOM 2131 CB SER A 136 -9.626 2.788 0.638 1.00 52.01 C ATOM 2132 OG SER A 136 -10.614 2.331 -0.277 1.00 24.42 O ATOM 0 H SER A 136 -7.595 3.488 1.879 1.00 63.50 H new ATOM 0 HA SER A 136 -7.999 1.581 -0.114 1.00 51.43 H new ATOM 0 HB2 SER A 136 -9.700 2.225 1.568 1.00 52.01 H new ATOM 0 HB3 SER A 136 -9.810 3.834 0.883 1.00 52.01 H new ATOM 0 HG SER A 136 -11.336 1.888 0.216 1.00 24.42 H new ATOM 2138 N GLU A 137 -8.279 4.687 -1.281 1.00 34.12 N ATOM 2139 CA GLU A 137 -8.222 5.465 -2.524 1.00 23.33 C ATOM 2140 C GLU A 137 -6.782 5.626 -3.034 1.00 4.45 C ATOM 2141 O GLU A 137 -6.568 5.921 -4.209 1.00 24.00 O ATOM 2142 CB GLU A 137 -8.903 6.831 -2.367 1.00 40.13 C ATOM 2143 CG GLU A 137 -8.289 7.748 -1.321 1.00 72.02 C ATOM 2144 CD GLU A 137 -8.981 9.101 -1.301 1.00 71.42 C ATOM 2145 OE1 GLU A 137 -10.132 9.177 -0.824 1.00 42.14 O ATOM 2146 OE2 GLU A 137 -8.404 10.084 -1.811 1.00 60.41 O ATOM 0 H GLU A 137 -8.427 5.241 -0.437 1.00 34.12 H new ATOM 0 HA GLU A 137 -8.775 4.900 -3.274 1.00 23.33 H new ATOM 0 HB2 GLU A 137 -8.883 7.341 -3.330 1.00 40.13 H new ATOM 0 HB3 GLU A 137 -9.951 6.669 -2.114 1.00 40.13 H new ATOM 0 HG2 GLU A 137 -8.364 7.284 -0.338 1.00 72.02 H new ATOM 0 HG3 GLU A 137 -7.228 7.883 -1.530 1.00 72.02 H new ATOM 2153 N GLY A 138 -5.798 5.438 -2.154 1.00 55.23 N ATOM 2154 CA GLY A 138 -4.405 5.386 -2.593 1.00 53.50 C ATOM 2155 C GLY A 138 -4.146 4.197 -3.515 1.00 21.44 C ATOM 2156 O GLY A 138 -3.586 4.344 -4.603 1.00 40.30 O ATOM 0 H GLY A 138 -5.936 5.321 -1.150 1.00 55.23 H new ATOM 0 HA2 GLY A 138 -4.153 6.311 -3.112 1.00 53.50 H new ATOM 0 HA3 GLY A 138 -3.752 5.321 -1.723 1.00 53.50 H new ATOM 2160 N VAL A 139 -4.569 3.015 -3.071 1.00 0.33 N ATOM 2161 CA VAL A 139 -4.538 1.805 -3.901 1.00 41.21 C ATOM 2162 C VAL A 139 -5.384 1.992 -5.171 1.00 63.41 C ATOM 2163 O VAL A 139 -4.961 1.639 -6.275 1.00 25.24 O ATOM 2164 CB VAL A 139 -5.071 0.580 -3.115 1.00 22.45 C ATOM 2165 CG1 VAL A 139 -5.180 -0.653 -4.013 1.00 3.31 C ATOM 2166 CG2 VAL A 139 -4.186 0.291 -1.902 1.00 33.24 C ATOM 0 H VAL A 139 -4.941 2.866 -2.133 1.00 0.33 H new ATOM 0 HA VAL A 139 -3.499 1.628 -4.181 1.00 41.21 H new ATOM 0 HB VAL A 139 -6.073 0.821 -2.761 1.00 22.45 H new ATOM 0 HG11 VAL A 139 -5.557 -1.494 -3.431 1.00 3.31 H new ATOM 0 HG12 VAL A 139 -5.865 -0.445 -4.835 1.00 3.31 H new ATOM 0 HG13 VAL A 139 -4.197 -0.900 -4.413 1.00 3.31 H new ATOM 0 HG21 VAL A 139 -4.577 -0.572 -1.364 1.00 33.24 H new ATOM 0 HG22 VAL A 139 -3.170 0.081 -2.235 1.00 33.24 H new ATOM 0 HG23 VAL A 139 -4.180 1.158 -1.241 1.00 33.24 H new ATOM 2176 N LEU A 140 -6.582 2.552 -5.000 1.00 4.24 N ATOM 2177 CA LEU A 140 -7.469 2.849 -6.127 1.00 65.42 C ATOM 2178 C LEU A 140 -6.800 3.811 -7.121 1.00 11.23 C ATOM 2179 O LEU A 140 -6.953 3.670 -8.330 1.00 60.41 O ATOM 2180 CB LEU A 140 -8.787 3.452 -5.619 1.00 41.21 C ATOM 2181 CG LEU A 140 -9.839 3.758 -6.701 1.00 73.42 C ATOM 2182 CD1 LEU A 140 -10.251 2.486 -7.437 1.00 71.25 C ATOM 2183 CD2 LEU A 140 -11.057 4.446 -6.088 1.00 72.50 C ATOM 0 H LEU A 140 -6.962 2.810 -4.089 1.00 4.24 H new ATOM 0 HA LEU A 140 -7.679 1.914 -6.647 1.00 65.42 H new ATOM 0 HB2 LEU A 140 -9.225 2.765 -4.896 1.00 41.21 H new ATOM 0 HB3 LEU A 140 -8.562 4.375 -5.085 1.00 41.21 H new ATOM 0 HG LEU A 140 -9.391 4.437 -7.427 1.00 73.42 H new ATOM 0 HD11 LEU A 140 -10.995 2.729 -8.196 1.00 71.25 H new ATOM 0 HD12 LEU A 140 -9.377 2.043 -7.914 1.00 71.25 H new ATOM 0 HD13 LEU A 140 -10.676 1.776 -6.727 1.00 71.25 H new ATOM 0 HD21 LEU A 140 -11.789 4.654 -6.869 1.00 72.50 H new ATOM 0 HD22 LEU A 140 -11.503 3.794 -5.337 1.00 72.50 H new ATOM 0 HD23 LEU A 140 -10.750 5.381 -5.621 1.00 72.50 H new ATOM 2195 N ALA A 141 -6.049 4.780 -6.597 1.00 65.23 N ATOM 2196 CA ALA A 141 -5.335 5.748 -7.436 1.00 15.02 C ATOM 2197 C ALA A 141 -4.332 5.043 -8.362 1.00 1.32 C ATOM 2198 O ALA A 141 -4.246 5.353 -9.553 1.00 41.43 O ATOM 2199 CB ALA A 141 -4.626 6.781 -6.568 1.00 0.44 C ATOM 0 H ALA A 141 -5.918 4.917 -5.595 1.00 65.23 H new ATOM 0 HA ALA A 141 -6.067 6.260 -8.061 1.00 15.02 H new ATOM 0 HB1 ALA A 141 -4.101 7.492 -7.205 1.00 0.44 H new ATOM 0 HB2 ALA A 141 -5.360 7.311 -5.960 1.00 0.44 H new ATOM 0 HB3 ALA A 141 -3.910 6.279 -5.917 1.00 0.44 H new ATOM 2205 N VAL A 142 -3.581 4.095 -7.802 1.00 71.33 N ATOM 2206 CA VAL A 142 -2.662 3.260 -8.587 1.00 70.01 C ATOM 2207 C VAL A 142 -3.422 2.481 -9.672 1.00 72.34 C ATOM 2208 O VAL A 142 -3.075 2.533 -10.856 1.00 44.43 O ATOM 2209 CB VAL A 142 -1.900 2.261 -7.675 1.00 12.02 C ATOM 2210 CG1 VAL A 142 -0.995 1.340 -8.496 1.00 62.40 C ATOM 2211 CG2 VAL A 142 -1.096 3.008 -6.610 1.00 22.22 C ATOM 0 H VAL A 142 -3.589 3.883 -6.804 1.00 71.33 H new ATOM 0 HA VAL A 142 -1.942 3.926 -9.063 1.00 70.01 H new ATOM 0 HB VAL A 142 -2.638 1.637 -7.171 1.00 12.02 H new ATOM 0 HG11 VAL A 142 -0.475 0.652 -7.829 1.00 62.40 H new ATOM 0 HG12 VAL A 142 -1.599 0.772 -9.204 1.00 62.40 H new ATOM 0 HG13 VAL A 142 -0.265 1.939 -9.041 1.00 62.40 H new ATOM 0 HG21 VAL A 142 -0.569 2.290 -5.981 1.00 22.22 H new ATOM 0 HG22 VAL A 142 -0.373 3.665 -7.094 1.00 22.22 H new ATOM 0 HG23 VAL A 142 -1.771 3.602 -5.995 1.00 22.22 H new ATOM 2221 N GLN A 143 -4.465 1.767 -9.253 1.00 24.13 N ATOM 2222 CA GLN A 143 -5.328 1.014 -10.175 1.00 63.14 C ATOM 2223 C GLN A 143 -5.863 1.903 -11.318 1.00 53.43 C ATOM 2224 O GLN A 143 -5.856 1.505 -12.483 1.00 2.41 O ATOM 2225 CB GLN A 143 -6.492 0.384 -9.392 1.00 43.35 C ATOM 2226 CG GLN A 143 -7.417 -0.487 -10.237 1.00 14.05 C ATOM 2227 CD GLN A 143 -8.451 -1.233 -9.406 1.00 2.04 C ATOM 2228 OE1 GLN A 143 -8.882 -0.769 -8.354 1.00 21.10 O ATOM 2229 NE2 GLN A 143 -8.862 -2.393 -9.875 1.00 65.02 N ATOM 0 H GLN A 143 -4.738 1.691 -8.273 1.00 24.13 H new ATOM 0 HA GLN A 143 -4.729 0.227 -10.634 1.00 63.14 H new ATOM 0 HB2 GLN A 143 -6.085 -0.219 -8.581 1.00 43.35 H new ATOM 0 HB3 GLN A 143 -7.079 1.180 -8.934 1.00 43.35 H new ATOM 0 HG2 GLN A 143 -7.929 0.138 -10.968 1.00 14.05 H new ATOM 0 HG3 GLN A 143 -6.819 -1.207 -10.796 1.00 14.05 H new ATOM 0 HE21 GLN A 143 -8.484 -2.751 -10.752 1.00 65.02 H new ATOM 0 HE22 GLN A 143 -9.558 -2.933 -9.361 1.00 65.02 H new ATOM 2238 N GLN A 144 -6.302 3.117 -10.976 1.00 71.04 N ATOM 2239 CA GLN A 144 -6.816 4.073 -11.970 1.00 74.40 C ATOM 2240 C GLN A 144 -5.762 4.413 -13.039 1.00 64.23 C ATOM 2241 O GLN A 144 -6.088 4.572 -14.215 1.00 63.33 O ATOM 2242 CB GLN A 144 -7.293 5.364 -11.283 1.00 45.01 C ATOM 2243 CG GLN A 144 -8.544 5.192 -10.424 1.00 25.23 C ATOM 2244 CD GLN A 144 -9.769 4.796 -11.234 1.00 64.14 C ATOM 2245 OE1 GLN A 144 -9.898 5.143 -12.405 1.00 33.24 O ATOM 2246 NE2 GLN A 144 -10.686 4.078 -10.616 1.00 64.00 N ATOM 0 H GLN A 144 -6.313 3.465 -10.017 1.00 71.04 H new ATOM 0 HA GLN A 144 -7.659 3.595 -12.468 1.00 74.40 H new ATOM 0 HB2 GLN A 144 -6.487 5.748 -10.658 1.00 45.01 H new ATOM 0 HB3 GLN A 144 -7.491 6.116 -12.046 1.00 45.01 H new ATOM 0 HG2 GLN A 144 -8.356 4.433 -9.665 1.00 25.23 H new ATOM 0 HG3 GLN A 144 -8.748 6.125 -9.898 1.00 25.23 H new ATOM 0 HE21 GLN A 144 -10.550 3.805 -9.643 1.00 64.00 H new ATOM 0 HE22 GLN A 144 -11.532 3.795 -11.111 1.00 64.00 H new ATOM 2255 N VAL A 145 -4.499 4.528 -12.623 1.00 15.03 N ATOM 2256 CA VAL A 145 -3.403 4.809 -13.559 1.00 51.21 C ATOM 2257 C VAL A 145 -3.221 3.658 -14.563 1.00 23.22 C ATOM 2258 O VAL A 145 -2.918 3.880 -15.737 1.00 3.24 O ATOM 2259 CB VAL A 145 -2.063 5.059 -12.813 1.00 73.21 C ATOM 2260 CG1 VAL A 145 -0.920 5.301 -13.801 1.00 40.31 C ATOM 2261 CG2 VAL A 145 -2.193 6.233 -11.841 1.00 21.10 C ATOM 0 H VAL A 145 -4.209 4.432 -11.650 1.00 15.03 H new ATOM 0 HA VAL A 145 -3.676 5.715 -14.100 1.00 51.21 H new ATOM 0 HB VAL A 145 -1.828 4.163 -12.238 1.00 73.21 H new ATOM 0 HG11 VAL A 145 0.006 5.473 -13.252 1.00 40.31 H new ATOM 0 HG12 VAL A 145 -0.804 4.428 -14.444 1.00 40.31 H new ATOM 0 HG13 VAL A 145 -1.147 6.174 -14.413 1.00 40.31 H new ATOM 0 HG21 VAL A 145 -1.243 6.389 -11.330 1.00 21.10 H new ATOM 0 HG22 VAL A 145 -2.461 7.134 -12.393 1.00 21.10 H new ATOM 0 HG23 VAL A 145 -2.968 6.013 -11.107 1.00 21.10 H new ATOM 2271 N LEU A 146 -3.430 2.428 -14.097 1.00 64.34 N ATOM 2272 CA LEU A 146 -3.267 1.243 -14.942 1.00 72.11 C ATOM 2273 C LEU A 146 -4.332 1.187 -16.054 1.00 74.15 C ATOM 2274 O LEU A 146 -3.998 1.170 -17.239 1.00 14.04 O ATOM 2275 CB LEU A 146 -3.328 -0.024 -14.079 1.00 51.21 C ATOM 2276 CG LEU A 146 -2.239 -0.127 -12.995 1.00 2.03 C ATOM 2277 CD1 LEU A 146 -2.454 -1.361 -12.123 1.00 43.10 C ATOM 2278 CD2 LEU A 146 -0.846 -0.151 -13.630 1.00 53.12 C ATOM 0 H LEU A 146 -3.713 2.224 -13.138 1.00 64.34 H new ATOM 0 HA LEU A 146 -2.292 1.304 -15.426 1.00 72.11 H new ATOM 0 HB2 LEU A 146 -4.305 -0.070 -13.597 1.00 51.21 H new ATOM 0 HB3 LEU A 146 -3.253 -0.894 -14.732 1.00 51.21 H new ATOM 0 HG LEU A 146 -2.311 0.755 -12.358 1.00 2.03 H new ATOM 0 HD11 LEU A 146 -1.672 -1.412 -11.365 1.00 43.10 H new ATOM 0 HD12 LEU A 146 -3.427 -1.298 -11.637 1.00 43.10 H new ATOM 0 HD13 LEU A 146 -2.416 -2.256 -12.744 1.00 43.10 H new ATOM 0 HD21 LEU A 146 -0.091 -0.224 -12.848 1.00 53.12 H new ATOM 0 HD22 LEU A 146 -0.764 -1.011 -14.295 1.00 53.12 H new ATOM 0 HD23 LEU A 146 -0.690 0.765 -14.200 1.00 53.12 H new ATOM 2290 N ASP A 147 -5.611 1.188 -15.672 1.00 75.34 N ATOM 2291 CA ASP A 147 -6.706 1.185 -16.654 1.00 21.41 C ATOM 2292 C ASP A 147 -6.748 2.499 -17.456 1.00 73.24 C ATOM 2293 O ASP A 147 -7.105 2.511 -18.635 1.00 62.42 O ATOM 2294 CB ASP A 147 -8.051 0.955 -15.953 1.00 51.41 C ATOM 2295 CG ASP A 147 -8.155 -0.429 -15.328 1.00 11.22 C ATOM 2296 OD1 ASP A 147 -7.660 -0.621 -14.200 1.00 41.14 O ATOM 2297 OD2 ASP A 147 -8.737 -1.334 -15.963 1.00 63.24 O ATOM 0 H ASP A 147 -5.916 1.191 -14.699 1.00 75.34 H new ATOM 0 HA ASP A 147 -6.521 0.369 -17.353 1.00 21.41 H new ATOM 0 HB2 ASP A 147 -8.187 1.710 -15.179 1.00 51.41 H new ATOM 0 HB3 ASP A 147 -8.859 1.086 -16.673 1.00 51.41 H new