USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 Single : A 1 ILE N :NH3+ -135:sc= -0.0806 (180deg=-0.532) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -170:sc= -0.661 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.02) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.32) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.913 USER MOD Single : A 47 THR OG1 : rot -79:sc= 0.556 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 167:sc= -0.0222 (180deg=-0.249) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00451) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.9!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.38) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.153 5.974 27.020 1.00 62.32 N ATOM 2 CA ILE A 1 -2.046 6.405 25.614 1.00 42.25 C ATOM 3 C ILE A 1 -3.389 7.028 25.176 1.00 23.33 C ATOM 4 O ILE A 1 -4.403 6.323 25.105 1.00 75.51 O ATOM 5 CB ILE A 1 -1.668 5.186 24.680 1.00 32.42 C ATOM 6 CG1 ILE A 1 -0.335 4.512 25.147 1.00 41.23 C ATOM 7 CG2 ILE A 1 -1.584 5.613 23.193 1.00 2.31 C ATOM 8 CD1 ILE A 1 0.075 3.269 24.363 1.00 51.02 C ATOM 0 H1 ILE A 1 -1.302 6.270 27.539 1.00 62.32 H new ATOM 0 H2 ILE A 1 -2.992 6.409 27.454 1.00 62.32 H new ATOM 0 H3 ILE A 1 -2.241 4.938 27.060 1.00 62.32 H new ATOM 0 HA ILE A 1 -1.254 7.148 25.525 1.00 42.25 H new ATOM 0 HB ILE A 1 -2.466 4.449 24.765 1.00 32.42 H new ATOM 0 HG12 ILE A 1 0.468 5.246 25.079 1.00 41.23 H new ATOM 0 HG13 ILE A 1 -0.432 4.243 26.199 1.00 41.23 H new ATOM 0 HG21 ILE A 1 -1.322 4.750 22.581 1.00 2.31 H new ATOM 0 HG22 ILE A 1 -2.549 6.006 22.872 1.00 2.31 H new ATOM 0 HG23 ILE A 1 -0.822 6.384 23.078 1.00 2.31 H new ATOM 0 HD11 ILE A 1 1.010 2.878 24.764 1.00 51.02 H new ATOM 0 HD12 ILE A 1 -0.703 2.510 24.451 1.00 51.02 H new ATOM 0 HD13 ILE A 1 0.211 3.529 23.313 1.00 51.02 H new ATOM 22 N LEU A 2 -3.399 8.354 24.932 1.00 71.51 N ATOM 23 CA LEU A 2 -4.572 9.078 24.406 1.00 51.44 C ATOM 24 C LEU A 2 -4.236 9.653 23.015 1.00 45.41 C ATOM 25 O LEU A 2 -3.647 10.740 22.903 1.00 52.01 O ATOM 26 CB LEU A 2 -5.013 10.207 25.394 1.00 41.02 C ATOM 27 CG LEU A 2 -5.483 9.745 26.814 1.00 32.33 C ATOM 28 CD1 LEU A 2 -5.813 10.959 27.710 1.00 41.43 C ATOM 29 CD2 LEU A 2 -6.684 8.776 26.727 1.00 20.43 C ATOM 0 H LEU A 2 -2.591 8.954 25.095 1.00 71.51 H new ATOM 0 HA LEU A 2 -5.409 8.386 24.307 1.00 51.44 H new ATOM 0 HB2 LEU A 2 -4.179 10.897 25.518 1.00 41.02 H new ATOM 0 HB3 LEU A 2 -5.825 10.768 24.931 1.00 41.02 H new ATOM 0 HG LEU A 2 -4.657 9.202 27.273 1.00 32.33 H new ATOM 0 HD11 LEU A 2 -6.137 10.610 28.691 1.00 41.43 H new ATOM 0 HD12 LEU A 2 -4.925 11.581 27.821 1.00 41.43 H new ATOM 0 HD13 LEU A 2 -6.610 11.544 27.251 1.00 41.43 H new ATOM 0 HD21 LEU A 2 -6.983 8.476 27.731 1.00 20.43 H new ATOM 0 HD22 LEU A 2 -7.518 9.274 26.233 1.00 20.43 H new ATOM 0 HD23 LEU A 2 -6.399 7.893 26.155 1.00 20.43 H new ATOM 41 N GLU A 3 -4.543 8.876 21.963 1.00 70.42 N ATOM 42 CA GLU A 3 -4.410 9.313 20.562 1.00 24.34 C ATOM 43 C GLU A 3 -5.732 9.961 20.101 1.00 41.13 C ATOM 44 O GLU A 3 -6.604 9.290 19.538 1.00 4.03 O ATOM 45 CB GLU A 3 -4.037 8.108 19.639 1.00 24.44 C ATOM 46 CG GLU A 3 -2.775 7.325 20.059 1.00 21.00 C ATOM 47 CD GLU A 3 -1.500 8.184 20.131 1.00 45.40 C ATOM 48 OE1 GLU A 3 -0.997 8.446 21.245 1.00 32.35 O ATOM 49 OE2 GLU A 3 -0.994 8.608 19.075 1.00 14.12 O ATOM 0 H GLU A 3 -4.892 7.923 22.060 1.00 70.42 H new ATOM 0 HA GLU A 3 -3.607 10.047 20.492 1.00 24.34 H new ATOM 0 HB2 GLU A 3 -4.880 7.418 19.610 1.00 24.44 H new ATOM 0 HB3 GLU A 3 -3.894 8.479 18.624 1.00 24.44 H new ATOM 0 HG2 GLU A 3 -2.950 6.870 21.034 1.00 21.00 H new ATOM 0 HG3 GLU A 3 -2.613 6.511 19.352 1.00 21.00 H new ATOM 56 N ALA A 4 -5.899 11.258 20.404 1.00 11.10 N ATOM 57 CA ALA A 4 -7.090 12.026 19.990 1.00 5.21 C ATOM 58 C ALA A 4 -6.878 12.640 18.594 1.00 53.33 C ATOM 59 O ALA A 4 -5.744 12.726 18.104 1.00 1.21 O ATOM 60 CB ALA A 4 -7.420 13.112 21.027 1.00 23.11 C ATOM 0 H ALA A 4 -5.221 11.802 20.938 1.00 11.10 H new ATOM 0 HA ALA A 4 -7.939 11.345 19.934 1.00 5.21 H new ATOM 0 HB1 ALA A 4 -8.301 13.667 20.704 1.00 23.11 H new ATOM 0 HB2 ALA A 4 -7.619 12.645 21.992 1.00 23.11 H new ATOM 0 HB3 ALA A 4 -6.575 13.794 21.121 1.00 23.11 H new ATOM 66 N HIS A 5 -7.986 13.050 17.962 1.00 2.22 N ATOM 67 CA HIS A 5 -7.979 13.636 16.613 1.00 43.15 C ATOM 68 C HIS A 5 -7.668 15.143 16.691 1.00 22.43 C ATOM 69 O HIS A 5 -8.570 15.969 16.838 1.00 41.12 O ATOM 70 CB HIS A 5 -9.348 13.365 15.919 1.00 3.31 C ATOM 71 CG HIS A 5 -9.500 13.949 14.533 1.00 42.55 C ATOM 72 ND1 HIS A 5 -8.999 13.347 13.401 1.00 62.30 N ATOM 73 CD2 HIS A 5 -10.120 15.076 14.103 1.00 4.01 C ATOM 74 CE1 HIS A 5 -9.296 14.074 12.347 1.00 13.15 C ATOM 75 NE2 HIS A 5 -9.973 15.130 12.745 1.00 55.21 N ATOM 0 H HIS A 5 -8.917 12.985 18.373 1.00 2.22 H new ATOM 0 HA HIS A 5 -7.197 13.170 16.013 1.00 43.15 H new ATOM 0 HB2 HIS A 5 -9.498 12.287 15.859 1.00 3.31 H new ATOM 0 HB3 HIS A 5 -10.142 13.763 16.551 1.00 3.31 H new ATOM 0 HD2 HIS A 5 -10.635 15.798 14.720 1.00 4.01 H new ATOM 0 HE1 HIS A 5 -9.029 13.844 11.326 1.00 13.15 H new ATOM 0 HE2 HIS A 5 -10.330 15.869 12.139 1.00 55.21 H new ATOM 84 N TYR A 6 -6.378 15.485 16.662 1.00 31.53 N ATOM 85 CA TYR A 6 -5.924 16.886 16.529 1.00 25.14 C ATOM 86 C TYR A 6 -5.517 17.143 15.077 1.00 0.24 C ATOM 87 O TYR A 6 -4.956 16.255 14.423 1.00 0.43 O ATOM 88 CB TYR A 6 -4.759 17.193 17.509 1.00 31.00 C ATOM 89 CG TYR A 6 -5.215 17.354 18.970 1.00 71.43 C ATOM 90 CD1 TYR A 6 -5.685 18.588 19.440 1.00 33.44 C ATOM 91 CD2 TYR A 6 -5.205 16.281 19.870 1.00 64.42 C ATOM 92 CE1 TYR A 6 -6.119 18.744 20.742 1.00 30.13 C ATOM 93 CE2 TYR A 6 -5.636 16.441 21.177 1.00 74.23 C ATOM 94 CZ TYR A 6 -6.094 17.671 21.606 1.00 32.01 C ATOM 95 OH TYR A 6 -6.537 17.830 22.903 1.00 53.23 O ATOM 0 H TYR A 6 -5.617 14.809 16.729 1.00 31.53 H new ATOM 0 HA TYR A 6 -6.742 17.557 16.792 1.00 25.14 H new ATOM 0 HB2 TYR A 6 -4.025 16.389 17.452 1.00 31.00 H new ATOM 0 HB3 TYR A 6 -4.257 18.107 17.190 1.00 31.00 H new ATOM 0 HD1 TYR A 6 -5.708 19.435 18.770 1.00 33.44 H new ATOM 0 HD2 TYR A 6 -4.856 15.314 19.540 1.00 64.42 H new ATOM 0 HE1 TYR A 6 -6.477 19.705 21.082 1.00 30.13 H new ATOM 0 HE2 TYR A 6 -5.614 15.604 21.860 1.00 74.23 H new ATOM 0 HH TYR A 6 -6.455 16.980 23.383 1.00 53.23 H new ATOM 105 N THR A 7 -5.836 18.349 14.573 1.00 53.12 N ATOM 106 CA THR A 7 -5.509 18.760 13.204 1.00 10.35 C ATOM 107 C THR A 7 -3.982 18.945 13.066 1.00 3.00 C ATOM 108 O THR A 7 -3.430 20.027 13.306 1.00 62.40 O ATOM 109 CB THR A 7 -6.287 20.063 12.809 1.00 11.03 C ATOM 110 OG1 THR A 7 -7.679 19.897 13.147 1.00 22.11 O ATOM 111 CG2 THR A 7 -6.161 20.388 11.300 1.00 4.34 C ATOM 0 H THR A 7 -6.329 19.064 15.108 1.00 53.12 H new ATOM 0 HA THR A 7 -5.824 17.978 12.513 1.00 10.35 H new ATOM 0 HB THR A 7 -5.849 20.895 13.360 1.00 11.03 H new ATOM 0 HG1 THR A 7 -8.173 20.708 12.905 1.00 22.11 H new ATOM 0 HG21 THR A 7 -6.717 21.299 11.076 1.00 4.34 H new ATOM 0 HG22 THR A 7 -5.111 20.532 11.045 1.00 4.34 H new ATOM 0 HG23 THR A 7 -6.567 19.563 10.715 1.00 4.34 H new ATOM 119 N ASN A 8 -3.307 17.828 12.762 1.00 1.21 N ATOM 120 CA ASN A 8 -1.846 17.762 12.615 1.00 44.12 C ATOM 121 C ASN A 8 -1.515 17.241 11.222 1.00 71.20 C ATOM 122 O ASN A 8 -2.161 16.299 10.739 1.00 13.03 O ATOM 123 CB ASN A 8 -1.222 16.834 13.701 1.00 21.01 C ATOM 124 CG ASN A 8 -1.502 17.272 15.151 1.00 23.10 C ATOM 125 OD1 ASN A 8 -1.604 16.437 16.056 1.00 71.21 O ATOM 126 ND2 ASN A 8 -1.606 18.576 15.400 1.00 30.54 N ATOM 0 H ASN A 8 -3.768 16.931 12.609 1.00 1.21 H new ATOM 0 HA ASN A 8 -1.425 18.759 12.746 1.00 44.12 H new ATOM 0 HB2 ASN A 8 -1.604 15.823 13.560 1.00 21.01 H new ATOM 0 HB3 ASN A 8 -0.143 16.792 13.549 1.00 21.01 H new ATOM 0 HD21 ASN A 8 -1.773 18.902 16.352 1.00 30.54 H new ATOM 0 HD22 ASN A 8 -1.519 19.249 14.639 1.00 30.54 H new ATOM 133 N LEU A 9 -0.506 17.850 10.588 1.00 61.53 N ATOM 134 CA LEU A 9 -0.061 17.468 9.246 1.00 2.12 C ATOM 135 C LEU A 9 0.703 16.138 9.349 1.00 12.14 C ATOM 136 O LEU A 9 1.865 16.108 9.753 1.00 31.15 O ATOM 137 CB LEU A 9 0.801 18.602 8.596 1.00 1.44 C ATOM 138 CG LEU A 9 0.015 19.837 8.007 1.00 51.03 C ATOM 139 CD1 LEU A 9 -0.857 20.557 9.062 1.00 31.45 C ATOM 140 CD2 LEU A 9 0.987 20.824 7.321 1.00 74.52 C ATOM 0 H LEU A 9 0.024 18.622 10.993 1.00 61.53 H new ATOM 0 HA LEU A 9 -0.920 17.329 8.590 1.00 2.12 H new ATOM 0 HB2 LEU A 9 1.501 18.970 9.346 1.00 1.44 H new ATOM 0 HB3 LEU A 9 1.394 18.162 7.794 1.00 1.44 H new ATOM 0 HG LEU A 9 -0.674 19.444 7.259 1.00 51.03 H new ATOM 0 HD11 LEU A 9 -1.372 21.397 8.596 1.00 31.45 H new ATOM 0 HD12 LEU A 9 -1.591 19.859 9.465 1.00 31.45 H new ATOM 0 HD13 LEU A 9 -0.223 20.923 9.870 1.00 31.45 H new ATOM 0 HD21 LEU A 9 0.426 21.669 6.921 1.00 74.52 H new ATOM 0 HD22 LEU A 9 1.714 21.183 8.049 1.00 74.52 H new ATOM 0 HD23 LEU A 9 1.507 20.317 6.508 1.00 74.52 H new ATOM 152 N LYS A 10 -0.031 15.047 9.097 1.00 43.03 N ATOM 153 CA LYS A 10 0.499 13.673 9.017 1.00 2.12 C ATOM 154 C LYS A 10 -0.252 12.933 7.899 1.00 53.11 C ATOM 155 O LYS A 10 -1.224 13.462 7.351 1.00 43.23 O ATOM 156 CB LYS A 10 0.336 12.930 10.378 1.00 23.02 C ATOM 157 CG LYS A 10 -1.132 12.657 10.791 1.00 14.42 C ATOM 158 CD LYS A 10 -1.253 11.831 12.098 1.00 60.15 C ATOM 159 CE LYS A 10 -2.715 11.475 12.439 1.00 74.04 C ATOM 160 NZ LYS A 10 -2.841 10.795 13.761 1.00 62.33 N ATOM 0 H LYS A 10 -1.038 15.093 8.938 1.00 43.03 H new ATOM 0 HA LYS A 10 1.565 13.703 8.794 1.00 2.12 H new ATOM 0 HB2 LYS A 10 0.867 11.980 10.324 1.00 23.02 H new ATOM 0 HB3 LYS A 10 0.816 13.520 11.159 1.00 23.02 H new ATOM 0 HG2 LYS A 10 -1.650 13.608 10.920 1.00 14.42 H new ATOM 0 HG3 LYS A 10 -1.637 12.126 9.984 1.00 14.42 H new ATOM 0 HD2 LYS A 10 -0.673 10.914 11.999 1.00 60.15 H new ATOM 0 HD3 LYS A 10 -0.818 12.396 12.923 1.00 60.15 H new ATOM 0 HE2 LYS A 10 -3.316 12.384 12.442 1.00 74.04 H new ATOM 0 HE3 LYS A 10 -3.120 10.828 11.661 1.00 74.04 H new ATOM 0 HZ1 LYS A 10 -3.841 10.576 13.945 1.00 62.33 H new ATOM 0 HZ2 LYS A 10 -2.290 9.913 13.752 1.00 62.33 H new ATOM 0 HZ3 LYS A 10 -2.480 11.421 14.509 1.00 62.33 H new ATOM 174 N CYS A 11 0.179 11.708 7.589 1.00 72.12 N ATOM 175 CA CYS A 11 -0.397 10.911 6.500 1.00 12.03 C ATOM 176 C CYS A 11 -1.744 10.299 6.946 1.00 0.32 C ATOM 177 O CYS A 11 -1.782 9.519 7.913 1.00 42.02 O ATOM 178 CB CYS A 11 0.610 9.818 6.092 1.00 72.03 C ATOM 179 SG CYS A 11 2.313 10.444 5.892 1.00 43.13 S ATOM 0 H CYS A 11 0.937 11.239 8.085 1.00 72.12 H new ATOM 0 HA CYS A 11 -0.594 11.545 5.636 1.00 12.03 H new ATOM 0 HB2 CYS A 11 0.606 9.030 6.845 1.00 72.03 H new ATOM 0 HB3 CYS A 11 0.284 9.365 5.156 1.00 72.03 H new ATOM 184 N ARG A 12 -2.845 10.692 6.263 1.00 50.13 N ATOM 185 CA ARG A 12 -4.196 10.183 6.551 1.00 35.04 C ATOM 186 C ARG A 12 -4.287 8.686 6.187 1.00 33.42 C ATOM 187 O ARG A 12 -3.843 8.270 5.109 1.00 73.13 O ATOM 188 CB ARG A 12 -5.275 10.994 5.776 1.00 63.21 C ATOM 189 CG ARG A 12 -6.731 10.579 6.111 1.00 21.43 C ATOM 190 CD ARG A 12 -7.792 11.316 5.274 1.00 15.31 C ATOM 191 NE ARG A 12 -9.164 10.950 5.689 1.00 33.14 N ATOM 192 CZ ARG A 12 -10.156 10.540 4.876 1.00 43.35 C ATOM 193 NH1 ARG A 12 -9.972 10.441 3.562 1.00 52.24 N ATOM 194 NH2 ARG A 12 -11.344 10.261 5.391 1.00 72.33 N ATOM 0 H ARG A 12 -2.816 11.369 5.500 1.00 50.13 H new ATOM 0 HA ARG A 12 -4.386 10.301 7.618 1.00 35.04 H new ATOM 0 HB2 ARG A 12 -5.149 12.054 5.998 1.00 63.21 H new ATOM 0 HB3 ARG A 12 -5.109 10.871 4.706 1.00 63.21 H new ATOM 0 HG2 ARG A 12 -6.839 9.506 5.955 1.00 21.43 H new ATOM 0 HG3 ARG A 12 -6.919 10.768 7.168 1.00 21.43 H new ATOM 0 HD2 ARG A 12 -7.655 12.392 5.378 1.00 15.31 H new ATOM 0 HD3 ARG A 12 -7.654 11.077 4.219 1.00 15.31 H new ATOM 0 HE ARG A 12 -9.379 11.014 6.684 1.00 33.14 H new ATOM 0 HH11 ARG A 12 -9.067 10.678 3.154 1.00 52.24 H new ATOM 0 HH12 ARG A 12 -10.736 10.129 2.962 1.00 52.24 H new ATOM 0 HH21 ARG A 12 -11.500 10.358 6.394 1.00 72.33 H new ATOM 0 HH22 ARG A 12 -12.103 9.950 4.784 1.00 72.33 H new ATOM 208 N CYS A 13 -4.846 7.893 7.104 1.00 52.10 N ATOM 209 CA CYS A 13 -4.960 6.441 6.956 1.00 12.34 C ATOM 210 C CYS A 13 -6.251 5.943 7.624 1.00 73.30 C ATOM 211 O CYS A 13 -6.782 6.606 8.523 1.00 63.35 O ATOM 212 CB CYS A 13 -3.720 5.774 7.580 1.00 34.23 C ATOM 213 SG CYS A 13 -3.673 3.975 7.381 1.00 23.12 S ATOM 0 H CYS A 13 -5.236 8.245 7.978 1.00 52.10 H new ATOM 0 HA CYS A 13 -5.008 6.178 5.899 1.00 12.34 H new ATOM 0 HB2 CYS A 13 -2.824 6.203 7.130 1.00 34.23 H new ATOM 0 HB3 CYS A 13 -3.688 6.013 8.643 1.00 34.23 H new ATOM 218 N SER A 14 -6.762 4.784 7.171 1.00 64.41 N ATOM 219 CA SER A 14 -7.946 4.123 7.777 1.00 1.13 C ATOM 220 C SER A 14 -7.524 2.984 8.732 1.00 0.11 C ATOM 221 O SER A 14 -8.369 2.392 9.417 1.00 31.53 O ATOM 222 CB SER A 14 -8.863 3.584 6.663 1.00 1.24 C ATOM 223 OG SER A 14 -9.253 4.620 5.777 1.00 55.22 O ATOM 0 H SER A 14 -6.372 4.276 6.377 1.00 64.41 H new ATOM 0 HA SER A 14 -8.491 4.860 8.366 1.00 1.13 H new ATOM 0 HB2 SER A 14 -8.345 2.802 6.108 1.00 1.24 H new ATOM 0 HB3 SER A 14 -9.748 3.127 7.106 1.00 1.24 H new ATOM 0 HG SER A 14 -9.954 4.291 5.177 1.00 55.22 H new ATOM 229 N GLY A 15 -6.214 2.683 8.750 1.00 43.53 N ATOM 230 CA GLY A 15 -5.641 1.611 9.568 1.00 41.12 C ATOM 231 C GLY A 15 -4.579 0.831 8.803 1.00 42.03 C ATOM 232 O GLY A 15 -4.493 0.931 7.569 1.00 72.51 O ATOM 0 H GLY A 15 -5.522 3.183 8.192 1.00 43.53 H new ATOM 0 HA2 GLY A 15 -5.202 2.036 10.471 1.00 41.12 H new ATOM 0 HA3 GLY A 15 -6.432 0.933 9.887 1.00 41.12 H new ATOM 236 N VAL A 16 -3.778 0.038 9.535 1.00 75.35 N ATOM 237 CA VAL A 16 -2.704 -0.792 8.959 1.00 5.24 C ATOM 238 C VAL A 16 -3.194 -2.247 8.912 1.00 3.01 C ATOM 239 O VAL A 16 -3.687 -2.763 9.922 1.00 43.10 O ATOM 240 CB VAL A 16 -1.378 -0.694 9.819 1.00 70.23 C ATOM 241 CG1 VAL A 16 -0.224 -1.524 9.194 1.00 61.44 C ATOM 242 CG2 VAL A 16 -0.945 0.783 10.029 1.00 13.04 C ATOM 0 H VAL A 16 -3.857 -0.046 10.548 1.00 75.35 H new ATOM 0 HA VAL A 16 -2.471 -0.434 7.956 1.00 5.24 H new ATOM 0 HB VAL A 16 -1.601 -1.122 10.797 1.00 70.23 H new ATOM 0 HG11 VAL A 16 0.668 -1.431 9.813 1.00 61.44 H new ATOM 0 HG12 VAL A 16 -0.519 -2.572 9.137 1.00 61.44 H new ATOM 0 HG13 VAL A 16 -0.010 -1.153 8.192 1.00 61.44 H new ATOM 0 HG21 VAL A 16 -0.032 0.813 10.623 1.00 13.04 H new ATOM 0 HG22 VAL A 16 -0.764 1.250 9.061 1.00 13.04 H new ATOM 0 HG23 VAL A 16 -1.735 1.323 10.550 1.00 13.04 H new ATOM 252 N ILE A 17 -3.079 -2.898 7.739 1.00 60.34 N ATOM 253 CA ILE A 17 -3.543 -4.292 7.561 1.00 31.31 C ATOM 254 C ILE A 17 -2.477 -5.285 8.059 1.00 74.40 C ATOM 255 O ILE A 17 -1.264 -5.033 7.949 1.00 14.35 O ATOM 256 CB ILE A 17 -3.985 -4.611 6.061 1.00 12.14 C ATOM 257 CG1 ILE A 17 -2.804 -4.551 5.013 1.00 43.40 C ATOM 258 CG2 ILE A 17 -5.127 -3.655 5.639 1.00 61.34 C ATOM 259 CD1 ILE A 17 -2.074 -5.870 4.753 1.00 2.34 C ATOM 0 H ILE A 17 -2.670 -2.484 6.901 1.00 60.34 H new ATOM 0 HA ILE A 17 -4.439 -4.411 8.171 1.00 31.31 H new ATOM 0 HB ILE A 17 -4.331 -5.645 6.056 1.00 12.14 H new ATOM 0 HG12 ILE A 17 -3.202 -4.186 4.066 1.00 43.40 H new ATOM 0 HG13 ILE A 17 -2.076 -3.817 5.357 1.00 43.40 H new ATOM 0 HG21 ILE A 17 -5.426 -3.876 4.614 1.00 61.34 H new ATOM 0 HG22 ILE A 17 -5.980 -3.792 6.304 1.00 61.34 H new ATOM 0 HG23 ILE A 17 -4.780 -2.624 5.701 1.00 61.34 H new ATOM 0 HD11 ILE A 17 -1.285 -5.710 4.018 1.00 2.34 H new ATOM 0 HD12 ILE A 17 -1.636 -6.233 5.683 1.00 2.34 H new ATOM 0 HD13 ILE A 17 -2.780 -6.608 4.372 1.00 2.34 H new ATOM 271 N SER A 18 -2.954 -6.380 8.652 1.00 24.14 N ATOM 272 CA SER A 18 -2.127 -7.523 9.051 1.00 10.53 C ATOM 273 C SER A 18 -2.277 -8.634 7.996 1.00 13.14 C ATOM 274 O SER A 18 -1.291 -9.064 7.388 1.00 11.44 O ATOM 275 CB SER A 18 -2.555 -8.009 10.455 1.00 23.23 C ATOM 276 OG SER A 18 -3.950 -8.259 10.512 1.00 52.34 O ATOM 0 H SER A 18 -3.942 -6.501 8.873 1.00 24.14 H new ATOM 0 HA SER A 18 -1.077 -7.236 9.106 1.00 10.53 H new ATOM 0 HB2 SER A 18 -2.010 -8.918 10.709 1.00 23.23 H new ATOM 0 HB3 SER A 18 -2.287 -7.259 11.199 1.00 23.23 H new ATOM 0 HG SER A 18 -4.191 -8.566 11.411 1.00 52.34 H new ATOM 282 N THR A 19 -3.539 -9.060 7.775 1.00 63.11 N ATOM 283 CA THR A 19 -3.899 -10.054 6.757 1.00 71.55 C ATOM 284 C THR A 19 -3.669 -9.484 5.342 1.00 14.25 C ATOM 285 O THR A 19 -4.158 -8.393 5.020 1.00 65.33 O ATOM 286 CB THR A 19 -5.392 -10.492 6.935 1.00 44.14 C ATOM 287 OG1 THR A 19 -5.557 -11.088 8.238 1.00 24.31 O ATOM 288 CG2 THR A 19 -5.863 -11.489 5.853 1.00 44.33 C ATOM 0 H THR A 19 -4.339 -8.717 8.306 1.00 63.11 H new ATOM 0 HA THR A 19 -3.261 -10.929 6.882 1.00 71.55 H new ATOM 0 HB THR A 19 -6.006 -9.597 6.832 1.00 44.14 H new ATOM 0 HG1 THR A 19 -6.490 -11.363 8.356 1.00 24.31 H new ATOM 0 HG21 THR A 19 -6.905 -11.754 6.031 1.00 44.33 H new ATOM 0 HG22 THR A 19 -5.769 -11.030 4.869 1.00 44.33 H new ATOM 0 HG23 THR A 19 -5.248 -12.388 5.894 1.00 44.33 H new ATOM 296 N VAL A 20 -2.915 -10.243 4.523 1.00 51.54 N ATOM 297 CA VAL A 20 -2.549 -9.833 3.153 1.00 51.15 C ATOM 298 C VAL A 20 -3.806 -9.734 2.259 1.00 43.50 C ATOM 299 O VAL A 20 -4.718 -10.569 2.340 1.00 21.54 O ATOM 300 CB VAL A 20 -1.460 -10.769 2.472 1.00 62.15 C ATOM 301 CG1 VAL A 20 -0.140 -10.781 3.277 1.00 43.04 C ATOM 302 CG2 VAL A 20 -1.968 -12.215 2.212 1.00 54.50 C ATOM 0 H VAL A 20 -2.544 -11.154 4.791 1.00 51.54 H new ATOM 0 HA VAL A 20 -2.088 -8.850 3.250 1.00 51.15 H new ATOM 0 HB VAL A 20 -1.262 -10.332 1.493 1.00 62.15 H new ATOM 0 HG11 VAL A 20 0.582 -11.431 2.783 1.00 43.04 H new ATOM 0 HG12 VAL A 20 0.261 -9.769 3.333 1.00 43.04 H new ATOM 0 HG13 VAL A 20 -0.331 -11.151 4.284 1.00 43.04 H new ATOM 0 HG21 VAL A 20 -1.176 -12.801 1.746 1.00 54.50 H new ATOM 0 HG22 VAL A 20 -2.252 -12.677 3.158 1.00 54.50 H new ATOM 0 HG23 VAL A 20 -2.833 -12.183 1.550 1.00 54.50 H new ATOM 312 N VAL A 21 -3.833 -8.698 1.423 1.00 73.02 N ATOM 313 CA VAL A 21 -4.977 -8.360 0.550 1.00 63.41 C ATOM 314 C VAL A 21 -4.658 -8.751 -0.914 1.00 42.11 C ATOM 315 O VAL A 21 -3.495 -8.682 -1.343 1.00 13.24 O ATOM 316 CB VAL A 21 -5.323 -6.827 0.686 1.00 44.13 C ATOM 317 CG1 VAL A 21 -4.070 -5.965 0.485 1.00 73.54 C ATOM 318 CG2 VAL A 21 -6.456 -6.387 -0.270 1.00 15.22 C ATOM 0 H VAL A 21 -3.050 -8.052 1.325 1.00 73.02 H new ATOM 0 HA VAL A 21 -5.855 -8.926 0.860 1.00 63.41 H new ATOM 0 HB VAL A 21 -5.691 -6.675 1.700 1.00 44.13 H new ATOM 0 HG11 VAL A 21 -4.333 -4.912 0.583 1.00 73.54 H new ATOM 0 HG12 VAL A 21 -3.325 -6.225 1.237 1.00 73.54 H new ATOM 0 HG13 VAL A 21 -3.660 -6.145 -0.509 1.00 73.54 H new ATOM 0 HG21 VAL A 21 -6.654 -5.324 -0.135 1.00 15.22 H new ATOM 0 HG22 VAL A 21 -6.154 -6.572 -1.301 1.00 15.22 H new ATOM 0 HG23 VAL A 21 -7.360 -6.955 -0.049 1.00 15.22 H new ATOM 328 N GLY A 22 -5.697 -9.206 -1.645 1.00 12.20 N ATOM 329 CA GLY A 22 -5.561 -9.660 -3.028 1.00 63.50 C ATOM 330 C GLY A 22 -5.287 -8.542 -4.031 1.00 50.22 C ATOM 331 O GLY A 22 -5.973 -7.505 -4.025 1.00 72.22 O ATOM 0 H GLY A 22 -6.650 -9.265 -1.285 1.00 12.20 H new ATOM 0 HA2 GLY A 22 -4.751 -10.387 -3.082 1.00 63.50 H new ATOM 0 HA3 GLY A 22 -6.474 -10.178 -3.320 1.00 63.50 H new ATOM 335 N LEU A 23 -4.322 -8.806 -4.945 1.00 62.13 N ATOM 336 CA LEU A 23 -3.896 -7.858 -6.006 1.00 30.12 C ATOM 337 C LEU A 23 -5.052 -7.541 -6.983 1.00 63.11 C ATOM 338 O LEU A 23 -5.001 -6.535 -7.703 1.00 53.30 O ATOM 339 CB LEU A 23 -2.656 -8.396 -6.801 1.00 12.45 C ATOM 340 CG LEU A 23 -1.231 -8.178 -6.168 1.00 1.23 C ATOM 341 CD1 LEU A 23 -1.015 -8.965 -4.859 1.00 44.23 C ATOM 342 CD2 LEU A 23 -0.133 -8.519 -7.196 1.00 50.11 C ATOM 0 H LEU A 23 -3.813 -9.690 -4.968 1.00 62.13 H new ATOM 0 HA LEU A 23 -3.607 -6.936 -5.502 1.00 30.12 H new ATOM 0 HB2 LEU A 23 -2.795 -9.466 -6.955 1.00 12.45 H new ATOM 0 HB3 LEU A 23 -2.661 -7.929 -7.786 1.00 12.45 H new ATOM 0 HG LEU A 23 -1.167 -7.123 -5.901 1.00 1.23 H new ATOM 0 HD11 LEU A 23 -0.013 -8.769 -4.478 1.00 44.23 H new ATOM 0 HD12 LEU A 23 -1.752 -8.652 -4.120 1.00 44.23 H new ATOM 0 HD13 LEU A 23 -1.127 -10.032 -5.053 1.00 44.23 H new ATOM 0 HD21 LEU A 23 0.848 -8.364 -6.746 1.00 50.11 H new ATOM 0 HD22 LEU A 23 -0.232 -9.561 -7.502 1.00 50.11 H new ATOM 0 HD23 LEU A 23 -0.238 -7.874 -8.068 1.00 50.11 H new ATOM 354 N ASN A 24 -6.078 -8.420 -6.981 1.00 72.15 N ATOM 355 CA ASN A 24 -7.297 -8.276 -7.790 1.00 4.22 C ATOM 356 C ASN A 24 -8.048 -6.975 -7.462 1.00 52.32 C ATOM 357 O ASN A 24 -8.611 -6.341 -8.362 1.00 70.53 O ATOM 358 CB ASN A 24 -8.214 -9.510 -7.550 1.00 23.22 C ATOM 359 CG ASN A 24 -9.562 -9.449 -8.293 1.00 45.54 C ATOM 360 OD1 ASN A 24 -9.672 -9.879 -9.442 1.00 44.34 O ATOM 361 ND2 ASN A 24 -10.593 -8.938 -7.631 1.00 61.43 N ATOM 0 H ASN A 24 -6.077 -9.262 -6.406 1.00 72.15 H new ATOM 0 HA ASN A 24 -7.012 -8.225 -8.841 1.00 4.22 H new ATOM 0 HB2 ASN A 24 -7.682 -10.410 -7.859 1.00 23.22 H new ATOM 0 HB3 ASN A 24 -8.405 -9.604 -6.481 1.00 23.22 H new ATOM 0 HD21 ASN A 24 -11.511 -8.893 -8.073 1.00 61.43 H new ATOM 0 HD22 ASN A 24 -10.467 -8.591 -6.680 1.00 61.43 H new ATOM 368 N ILE A 25 -8.043 -6.555 -6.176 1.00 75.42 N ATOM 369 CA ILE A 25 -8.776 -5.338 -5.762 1.00 31.34 C ATOM 370 C ILE A 25 -7.832 -4.146 -5.559 1.00 2.21 C ATOM 371 O ILE A 25 -8.299 -3.056 -5.275 1.00 32.02 O ATOM 372 CB ILE A 25 -9.691 -5.551 -4.487 1.00 32.45 C ATOM 373 CG1 ILE A 25 -8.864 -5.775 -3.183 1.00 74.41 C ATOM 374 CG2 ILE A 25 -10.681 -6.719 -4.707 1.00 5.04 C ATOM 375 CD1 ILE A 25 -9.701 -5.830 -1.904 1.00 1.34 C ATOM 0 H ILE A 25 -7.550 -7.031 -5.421 1.00 75.42 H new ATOM 0 HA ILE A 25 -9.447 -5.111 -6.590 1.00 31.34 H new ATOM 0 HB ILE A 25 -10.256 -4.628 -4.352 1.00 32.45 H new ATOM 0 HG12 ILE A 25 -8.306 -6.706 -3.277 1.00 74.41 H new ATOM 0 HG13 ILE A 25 -8.132 -4.973 -3.089 1.00 74.41 H new ATOM 0 HG21 ILE A 25 -11.298 -6.845 -3.817 1.00 5.04 H new ATOM 0 HG22 ILE A 25 -11.319 -6.499 -5.563 1.00 5.04 H new ATOM 0 HG23 ILE A 25 -10.124 -7.637 -4.896 1.00 5.04 H new ATOM 0 HD11 ILE A 25 -9.046 -5.988 -1.047 1.00 1.34 H new ATOM 0 HD12 ILE A 25 -10.239 -4.890 -1.781 1.00 1.34 H new ATOM 0 HD13 ILE A 25 -10.415 -6.651 -1.971 1.00 1.34 H new ATOM 387 N ILE A 26 -6.511 -4.347 -5.732 1.00 51.15 N ATOM 388 CA ILE A 26 -5.526 -3.244 -5.658 1.00 60.35 C ATOM 389 C ILE A 26 -5.559 -2.455 -6.978 1.00 44.34 C ATOM 390 O ILE A 26 -5.394 -3.043 -8.053 1.00 11.24 O ATOM 391 CB ILE A 26 -4.070 -3.781 -5.376 1.00 62.41 C ATOM 392 CG1 ILE A 26 -4.014 -4.628 -4.055 1.00 14.31 C ATOM 393 CG2 ILE A 26 -3.024 -2.629 -5.345 1.00 51.22 C ATOM 394 CD1 ILE A 26 -4.417 -3.899 -2.783 1.00 3.20 C ATOM 0 H ILE A 26 -6.099 -5.260 -5.924 1.00 51.15 H new ATOM 0 HA ILE A 26 -5.795 -2.592 -4.827 1.00 60.35 H new ATOM 0 HB ILE A 26 -3.808 -4.439 -6.205 1.00 62.41 H new ATOM 0 HG12 ILE A 26 -4.662 -5.496 -4.175 1.00 14.31 H new ATOM 0 HG13 ILE A 26 -2.999 -5.004 -3.930 1.00 14.31 H new ATOM 0 HG21 ILE A 26 -2.034 -3.041 -5.148 1.00 51.22 H new ATOM 0 HG22 ILE A 26 -3.019 -2.116 -6.307 1.00 51.22 H new ATOM 0 HG23 ILE A 26 -3.285 -1.921 -4.558 1.00 51.22 H new ATOM 0 HD11 ILE A 26 -4.341 -4.579 -1.934 1.00 3.20 H new ATOM 0 HD12 ILE A 26 -3.755 -3.047 -2.626 1.00 3.20 H new ATOM 0 HD13 ILE A 26 -5.445 -3.547 -2.875 1.00 3.20 H new ATOM 406 N ASP A 27 -5.782 -1.131 -6.887 1.00 11.05 N ATOM 407 CA ASP A 27 -5.912 -0.251 -8.065 1.00 70.21 C ATOM 408 C ASP A 27 -4.632 0.572 -8.257 1.00 1.41 C ATOM 409 O ASP A 27 -3.990 0.507 -9.313 1.00 52.34 O ATOM 410 CB ASP A 27 -7.134 0.688 -7.882 1.00 2.54 C ATOM 411 CG ASP A 27 -7.463 1.529 -9.129 1.00 71.22 C ATOM 412 OD1 ASP A 27 -7.193 2.747 -9.146 1.00 2.22 O ATOM 413 OD2 ASP A 27 -8.007 0.962 -10.097 1.00 61.15 O ATOM 0 H ASP A 27 -5.877 -0.641 -5.997 1.00 11.05 H new ATOM 0 HA ASP A 27 -6.064 -0.864 -8.953 1.00 70.21 H new ATOM 0 HB2 ASP A 27 -8.005 0.088 -7.619 1.00 2.54 H new ATOM 0 HB3 ASP A 27 -6.944 1.358 -7.043 1.00 2.54 H new ATOM 418 N ARG A 28 -4.262 1.334 -7.210 1.00 32.30 N ATOM 419 CA ARG A 28 -3.087 2.228 -7.210 1.00 4.55 C ATOM 420 C ARG A 28 -2.424 2.203 -5.827 1.00 41.14 C ATOM 421 O ARG A 28 -3.080 1.934 -4.820 1.00 41.12 O ATOM 422 CB ARG A 28 -3.492 3.690 -7.578 1.00 42.50 C ATOM 423 CG ARG A 28 -4.010 3.881 -9.025 1.00 74.22 C ATOM 424 CD ARG A 28 -4.475 5.316 -9.316 1.00 44.00 C ATOM 425 NE ARG A 28 -3.379 6.289 -9.177 1.00 63.02 N ATOM 426 CZ ARG A 28 -3.488 7.535 -8.693 1.00 14.42 C ATOM 427 NH1 ARG A 28 -4.655 8.011 -8.262 1.00 64.33 N ATOM 428 NH2 ARG A 28 -2.411 8.295 -8.631 1.00 24.23 N ATOM 0 H ARG A 28 -4.777 1.347 -6.329 1.00 32.30 H new ATOM 0 HA ARG A 28 -2.383 1.872 -7.962 1.00 4.55 H new ATOM 0 HB2 ARG A 28 -4.265 4.022 -6.885 1.00 42.50 H new ATOM 0 HB3 ARG A 28 -2.629 4.339 -7.428 1.00 42.50 H new ATOM 0 HG2 ARG A 28 -3.219 3.613 -9.726 1.00 74.22 H new ATOM 0 HG3 ARG A 28 -4.838 3.195 -9.201 1.00 74.22 H new ATOM 0 HD2 ARG A 28 -4.880 5.368 -10.327 1.00 44.00 H new ATOM 0 HD3 ARG A 28 -5.283 5.581 -8.634 1.00 44.00 H new ATOM 0 HE ARG A 28 -2.452 5.988 -9.476 1.00 63.02 H new ATOM 0 HH11 ARG A 28 -5.489 7.425 -8.296 1.00 64.33 H new ATOM 0 HH12 ARG A 28 -4.715 8.962 -7.898 1.00 64.33 H new ATOM 0 HH21 ARG A 28 -1.512 7.933 -8.949 1.00 24.23 H new ATOM 0 HH22 ARG A 28 -2.477 9.245 -8.265 1.00 24.23 H new ATOM 442 N ILE A 29 -1.113 2.489 -5.792 1.00 1.14 N ATOM 443 CA ILE A 29 -0.326 2.576 -4.547 1.00 3.22 C ATOM 444 C ILE A 29 0.351 3.958 -4.474 1.00 23.00 C ATOM 445 O ILE A 29 1.207 4.279 -5.305 1.00 40.32 O ATOM 446 CB ILE A 29 0.759 1.421 -4.463 1.00 13.52 C ATOM 447 CG1 ILE A 29 0.061 0.023 -4.408 1.00 24.12 C ATOM 448 CG2 ILE A 29 1.715 1.618 -3.257 1.00 63.11 C ATOM 449 CD1 ILE A 29 0.991 -1.177 -4.308 1.00 12.21 C ATOM 0 H ILE A 29 -0.563 2.668 -6.632 1.00 1.14 H new ATOM 0 HA ILE A 29 -0.999 2.450 -3.699 1.00 3.22 H new ATOM 0 HB ILE A 29 1.369 1.468 -5.365 1.00 13.52 H new ATOM 0 HG12 ILE A 29 -0.614 0.008 -3.552 1.00 24.12 H new ATOM 0 HG13 ILE A 29 -0.554 -0.091 -5.301 1.00 24.12 H new ATOM 0 HG21 ILE A 29 2.443 0.807 -3.234 1.00 63.11 H new ATOM 0 HG22 ILE A 29 2.235 2.570 -3.357 1.00 63.11 H new ATOM 0 HG23 ILE A 29 1.139 1.615 -2.332 1.00 63.11 H new ATOM 0 HD11 ILE A 29 0.401 -2.093 -4.277 1.00 12.21 H new ATOM 0 HD12 ILE A 29 1.650 -1.200 -5.176 1.00 12.21 H new ATOM 0 HD13 ILE A 29 1.589 -1.099 -3.400 1.00 12.21 H new ATOM 461 N GLN A 30 -0.070 4.778 -3.505 1.00 41.14 N ATOM 462 CA GLN A 30 0.526 6.090 -3.235 1.00 21.11 C ATOM 463 C GLN A 30 1.546 5.955 -2.090 1.00 13.41 C ATOM 464 O GLN A 30 1.167 5.775 -0.929 1.00 13.42 O ATOM 465 CB GLN A 30 -0.596 7.104 -2.881 1.00 53.22 C ATOM 466 CG GLN A 30 -0.125 8.532 -2.527 1.00 61.22 C ATOM 467 CD GLN A 30 0.755 9.182 -3.598 1.00 21.12 C ATOM 468 OE1 GLN A 30 0.266 9.827 -4.528 1.00 2.13 O ATOM 469 NE2 GLN A 30 2.068 9.038 -3.461 1.00 23.25 N ATOM 0 H GLN A 30 -0.842 4.547 -2.880 1.00 41.14 H new ATOM 0 HA GLN A 30 1.048 6.459 -4.117 1.00 21.11 H new ATOM 0 HB2 GLN A 30 -1.282 7.167 -3.726 1.00 53.22 H new ATOM 0 HB3 GLN A 30 -1.163 6.710 -2.038 1.00 53.22 H new ATOM 0 HG2 GLN A 30 -1.000 9.161 -2.360 1.00 61.22 H new ATOM 0 HG3 GLN A 30 0.428 8.499 -1.588 1.00 61.22 H new ATOM 0 HE21 GLN A 30 2.443 8.498 -2.681 1.00 23.25 H new ATOM 0 HE22 GLN A 30 2.701 9.467 -4.136 1.00 23.25 H new ATOM 478 N VAL A 31 2.839 6.019 -2.429 1.00 1.14 N ATOM 479 CA VAL A 31 3.924 5.934 -1.438 1.00 65.53 C ATOM 480 C VAL A 31 4.263 7.356 -0.939 1.00 23.20 C ATOM 481 O VAL A 31 4.634 8.229 -1.737 1.00 43.45 O ATOM 482 CB VAL A 31 5.201 5.230 -2.041 1.00 65.24 C ATOM 483 CG1 VAL A 31 6.411 5.295 -1.076 1.00 12.20 C ATOM 484 CG2 VAL A 31 4.899 3.756 -2.429 1.00 22.21 C ATOM 0 H VAL A 31 3.163 6.130 -3.390 1.00 1.14 H new ATOM 0 HA VAL A 31 3.590 5.324 -0.599 1.00 65.53 H new ATOM 0 HB VAL A 31 5.467 5.780 -2.944 1.00 65.24 H new ATOM 0 HG11 VAL A 31 7.267 4.798 -1.532 1.00 12.20 H new ATOM 0 HG12 VAL A 31 6.661 6.337 -0.875 1.00 12.20 H new ATOM 0 HG13 VAL A 31 6.158 4.796 -0.141 1.00 12.20 H new ATOM 0 HG21 VAL A 31 5.797 3.297 -2.842 1.00 22.21 H new ATOM 0 HG22 VAL A 31 4.583 3.204 -1.544 1.00 22.21 H new ATOM 0 HG23 VAL A 31 4.104 3.732 -3.174 1.00 22.21 H new ATOM 494 N THR A 32 4.068 7.587 0.366 1.00 2.20 N ATOM 495 CA THR A 32 4.441 8.838 1.036 1.00 51.25 C ATOM 496 C THR A 32 5.893 8.719 1.548 1.00 72.34 C ATOM 497 O THR A 32 6.155 7.894 2.436 1.00 34.00 O ATOM 498 CB THR A 32 3.482 9.134 2.237 1.00 42.25 C ATOM 499 OG1 THR A 32 2.120 8.930 1.831 1.00 53.12 O ATOM 500 CG2 THR A 32 3.648 10.568 2.783 1.00 3.55 C ATOM 0 H THR A 32 3.642 6.903 0.992 1.00 2.20 H new ATOM 0 HA THR A 32 4.360 9.659 0.324 1.00 51.25 H new ATOM 0 HB THR A 32 3.745 8.445 3.040 1.00 42.25 H new ATOM 0 HG1 THR A 32 1.523 9.114 2.586 1.00 53.12 H new ATOM 0 HG21 THR A 32 2.961 10.723 3.615 1.00 3.55 H new ATOM 0 HG22 THR A 32 4.672 10.710 3.128 1.00 3.55 H new ATOM 0 HG23 THR A 32 3.429 11.286 1.993 1.00 3.55 H new ATOM 508 N PRO A 33 6.865 9.499 0.980 1.00 15.32 N ATOM 509 CA PRO A 33 8.268 9.477 1.454 1.00 20.34 C ATOM 510 C PRO A 33 8.421 10.140 2.858 1.00 53.41 C ATOM 511 O PRO A 33 7.618 11.024 3.217 1.00 3.32 O ATOM 512 CB PRO A 33 9.021 10.259 0.350 1.00 34.23 C ATOM 513 CG PRO A 33 8.000 11.192 -0.227 1.00 60.34 C ATOM 514 CD PRO A 33 6.686 10.443 -0.170 1.00 11.00 C ATOM 0 HA PRO A 33 8.655 8.468 1.596 1.00 20.34 H new ATOM 0 HB2 PRO A 33 9.868 10.807 0.762 1.00 34.23 H new ATOM 0 HB3 PRO A 33 9.416 9.586 -0.411 1.00 34.23 H new ATOM 0 HG2 PRO A 33 7.948 12.119 0.345 1.00 60.34 H new ATOM 0 HG3 PRO A 33 8.252 11.464 -1.252 1.00 60.34 H new ATOM 0 HD2 PRO A 33 5.847 11.119 -0.006 1.00 11.00 H new ATOM 0 HD3 PRO A 33 6.489 9.909 -1.100 1.00 11.00 H new ATOM 522 N PRO A 34 9.451 9.721 3.673 1.00 24.13 N ATOM 523 CA PRO A 34 9.684 10.281 5.027 1.00 33.51 C ATOM 524 C PRO A 34 10.019 11.796 4.978 1.00 44.21 C ATOM 525 O PRO A 34 11.079 12.196 4.482 1.00 10.41 O ATOM 526 CB PRO A 34 10.870 9.433 5.575 1.00 62.54 C ATOM 527 CG PRO A 34 11.550 8.875 4.361 1.00 42.13 C ATOM 528 CD PRO A 34 10.451 8.660 3.346 1.00 44.31 C ATOM 0 HA PRO A 34 8.802 10.223 5.664 1.00 33.51 H new ATOM 0 HB2 PRO A 34 11.554 10.046 6.162 1.00 62.54 H new ATOM 0 HB3 PRO A 34 10.515 8.636 6.228 1.00 62.54 H new ATOM 0 HG2 PRO A 34 12.305 9.564 3.982 1.00 42.13 H new ATOM 0 HG3 PRO A 34 12.060 7.940 4.592 1.00 42.13 H new ATOM 0 HD2 PRO A 34 10.823 8.761 2.326 1.00 44.31 H new ATOM 0 HD3 PRO A 34 10.018 7.663 3.430 1.00 44.31 H new ATOM 536 N GLY A 35 9.070 12.621 5.447 1.00 15.01 N ATOM 537 CA GLY A 35 9.234 14.077 5.508 1.00 3.23 C ATOM 538 C GLY A 35 7.905 14.810 5.397 1.00 23.40 C ATOM 539 O GLY A 35 7.763 15.926 5.915 1.00 41.23 O ATOM 0 H GLY A 35 8.168 12.295 5.794 1.00 15.01 H new ATOM 0 HA2 GLY A 35 9.719 14.347 6.446 1.00 3.23 H new ATOM 0 HA3 GLY A 35 9.894 14.401 4.703 1.00 3.23 H new ATOM 543 N ASN A 36 6.930 14.176 4.712 1.00 14.10 N ATOM 544 CA ASN A 36 5.597 14.766 4.440 1.00 25.11 C ATOM 545 C ASN A 36 4.645 14.518 5.625 1.00 54.45 C ATOM 546 O ASN A 36 3.707 13.711 5.538 1.00 12.30 O ATOM 547 CB ASN A 36 5.013 14.184 3.122 1.00 42.43 C ATOM 548 CG ASN A 36 5.885 14.464 1.900 1.00 2.23 C ATOM 549 OD1 ASN A 36 6.531 15.506 1.799 1.00 52.53 O ATOM 550 ND2 ASN A 36 5.914 13.538 0.960 1.00 44.11 N ATOM 0 H ASN A 36 7.043 13.237 4.330 1.00 14.10 H new ATOM 0 HA ASN A 36 5.707 15.844 4.319 1.00 25.11 H new ATOM 0 HB2 ASN A 36 4.889 13.107 3.232 1.00 42.43 H new ATOM 0 HB3 ASN A 36 4.021 14.604 2.956 1.00 42.43 H new ATOM 0 HD21 ASN A 36 6.482 13.677 0.124 1.00 44.11 H new ATOM 0 HD22 ASN A 36 5.369 12.683 1.069 1.00 44.11 H new ATOM 557 N GLY A 37 4.943 15.187 6.752 1.00 61.55 N ATOM 558 CA GLY A 37 4.173 15.045 7.994 1.00 43.42 C ATOM 559 C GLY A 37 4.427 13.733 8.742 1.00 60.23 C ATOM 560 O GLY A 37 3.919 13.537 9.853 1.00 62.53 O ATOM 0 H GLY A 37 5.723 15.840 6.825 1.00 61.55 H new ATOM 0 HA2 GLY A 37 4.412 15.879 8.654 1.00 43.42 H new ATOM 0 HA3 GLY A 37 3.111 15.118 7.760 1.00 43.42 H new ATOM 564 N CYS A 38 5.245 12.852 8.146 1.00 14.02 N ATOM 565 CA CYS A 38 5.502 11.494 8.645 1.00 63.33 C ATOM 566 C CYS A 38 7.014 11.224 8.637 1.00 74.12 C ATOM 567 O CYS A 38 7.649 11.402 7.592 1.00 64.42 O ATOM 568 CB CYS A 38 4.753 10.476 7.759 1.00 4.15 C ATOM 569 SG CYS A 38 2.950 10.693 7.803 1.00 54.31 S ATOM 0 H CYS A 38 5.755 13.068 7.289 1.00 14.02 H new ATOM 0 HA CYS A 38 5.141 11.395 9.669 1.00 63.33 H new ATOM 0 HB2 CYS A 38 5.101 10.572 6.730 1.00 4.15 H new ATOM 0 HB3 CYS A 38 5.000 9.466 8.086 1.00 4.15 H new ATOM 574 N PRO A 39 7.630 10.812 9.797 1.00 14.20 N ATOM 575 CA PRO A 39 9.083 10.513 9.866 1.00 52.01 C ATOM 576 C PRO A 39 9.465 9.209 9.131 1.00 30.24 C ATOM 577 O PRO A 39 10.640 8.988 8.836 1.00 43.41 O ATOM 578 CB PRO A 39 9.345 10.414 11.389 1.00 12.32 C ATOM 579 CG PRO A 39 8.042 9.942 11.957 1.00 1.42 C ATOM 580 CD PRO A 39 6.971 10.620 11.127 1.00 51.14 C ATOM 0 HA PRO A 39 9.687 11.273 9.370 1.00 52.01 H new ATOM 0 HB2 PRO A 39 10.152 9.715 11.610 1.00 12.32 H new ATOM 0 HB3 PRO A 39 9.635 11.378 11.806 1.00 12.32 H new ATOM 0 HG2 PRO A 39 7.957 8.857 11.897 1.00 1.42 H new ATOM 0 HG3 PRO A 39 7.952 10.211 13.010 1.00 1.42 H new ATOM 0 HD2 PRO A 39 6.076 10.004 11.046 1.00 51.14 H new ATOM 0 HD3 PRO A 39 6.665 11.570 11.565 1.00 51.14 H new ATOM 588 N LYS A 40 8.465 8.347 8.863 1.00 31.44 N ATOM 589 CA LYS A 40 8.657 7.053 8.169 1.00 15.12 C ATOM 590 C LYS A 40 8.017 7.102 6.765 1.00 23.42 C ATOM 591 O LYS A 40 7.341 8.082 6.409 1.00 51.13 O ATOM 592 CB LYS A 40 8.014 5.909 8.995 1.00 53.12 C ATOM 593 CG LYS A 40 8.408 5.865 10.486 1.00 72.12 C ATOM 594 CD LYS A 40 7.638 4.762 11.256 1.00 61.32 C ATOM 595 CE LYS A 40 7.903 4.797 12.768 1.00 5.14 C ATOM 596 NZ LYS A 40 9.326 4.532 13.111 1.00 52.44 N ATOM 0 H LYS A 40 7.495 8.527 9.122 1.00 31.44 H new ATOM 0 HA LYS A 40 9.726 6.866 8.067 1.00 15.12 H new ATOM 0 HB2 LYS A 40 6.930 5.999 8.926 1.00 53.12 H new ATOM 0 HB3 LYS A 40 8.284 4.957 8.537 1.00 53.12 H new ATOM 0 HG2 LYS A 40 9.480 5.687 10.573 1.00 72.12 H new ATOM 0 HG3 LYS A 40 8.207 6.834 10.943 1.00 72.12 H new ATOM 0 HD2 LYS A 40 6.569 4.878 11.076 1.00 61.32 H new ATOM 0 HD3 LYS A 40 7.923 3.785 10.864 1.00 61.32 H new ATOM 0 HE2 LYS A 40 7.615 5.773 13.160 1.00 5.14 H new ATOM 0 HE3 LYS A 40 7.272 4.057 13.260 1.00 5.14 H new ATOM 0 HZ1 LYS A 40 9.447 4.568 14.143 1.00 52.44 H new ATOM 0 HZ2 LYS A 40 9.597 3.590 12.763 1.00 52.44 H new ATOM 0 HZ3 LYS A 40 9.930 5.252 12.667 1.00 52.44 H new ATOM 610 N THR A 41 8.235 6.031 5.979 1.00 64.15 N ATOM 611 CA THR A 41 7.624 5.865 4.658 1.00 2.34 C ATOM 612 C THR A 41 6.229 5.233 4.830 1.00 33.23 C ATOM 613 O THR A 41 6.117 4.077 5.257 1.00 75.04 O ATOM 614 CB THR A 41 8.518 4.953 3.755 1.00 53.13 C ATOM 615 OG1 THR A 41 9.871 5.443 3.750 1.00 31.41 O ATOM 616 CG2 THR A 41 8.011 4.881 2.304 1.00 41.41 C ATOM 0 H THR A 41 8.843 5.257 6.248 1.00 64.15 H new ATOM 0 HA THR A 41 7.532 6.838 4.176 1.00 2.34 H new ATOM 0 HB THR A 41 8.473 3.949 4.178 1.00 53.13 H new ATOM 0 HG1 THR A 41 10.426 4.866 3.184 1.00 31.41 H new ATOM 0 HG21 THR A 41 8.668 4.235 1.721 1.00 41.41 H new ATOM 0 HG22 THR A 41 6.999 4.476 2.292 1.00 41.41 H new ATOM 0 HG23 THR A 41 8.007 5.881 1.870 1.00 41.41 H new ATOM 624 N GLU A 42 5.174 5.987 4.500 1.00 24.13 N ATOM 625 CA GLU A 42 3.787 5.527 4.673 1.00 1.13 C ATOM 626 C GLU A 42 3.235 5.081 3.325 1.00 35.14 C ATOM 627 O GLU A 42 2.999 5.910 2.444 1.00 74.20 O ATOM 628 CB GLU A 42 2.917 6.668 5.259 1.00 53.13 C ATOM 629 CG GLU A 42 3.445 7.257 6.581 1.00 20.12 C ATOM 630 CD GLU A 42 3.574 6.219 7.706 1.00 31.03 C ATOM 631 OE1 GLU A 42 2.530 5.748 8.208 1.00 60.04 O ATOM 632 OE2 GLU A 42 4.712 5.896 8.117 1.00 12.53 O ATOM 0 H GLU A 42 5.254 6.926 4.109 1.00 24.13 H new ATOM 0 HA GLU A 42 3.766 4.687 5.367 1.00 1.13 H new ATOM 0 HB2 GLU A 42 2.845 7.468 4.522 1.00 53.13 H new ATOM 0 HB3 GLU A 42 1.907 6.292 5.421 1.00 53.13 H new ATOM 0 HG2 GLU A 42 4.420 7.712 6.403 1.00 20.12 H new ATOM 0 HG3 GLU A 42 2.776 8.054 6.907 1.00 20.12 H new ATOM 639 N VAL A 43 3.007 3.779 3.164 1.00 53.41 N ATOM 640 CA VAL A 43 2.504 3.233 1.910 1.00 1.45 C ATOM 641 C VAL A 43 0.973 3.172 1.990 1.00 20.11 C ATOM 642 O VAL A 43 0.401 2.265 2.619 1.00 23.32 O ATOM 643 CB VAL A 43 3.131 1.825 1.633 1.00 53.41 C ATOM 644 CG1 VAL A 43 2.684 1.265 0.266 1.00 71.11 C ATOM 645 CG2 VAL A 43 4.675 1.889 1.741 1.00 31.11 C ATOM 0 H VAL A 43 3.164 3.082 3.891 1.00 53.41 H new ATOM 0 HA VAL A 43 2.790 3.873 1.075 1.00 1.45 H new ATOM 0 HB VAL A 43 2.765 1.136 2.395 1.00 53.41 H new ATOM 0 HG11 VAL A 43 3.138 0.287 0.107 1.00 71.11 H new ATOM 0 HG12 VAL A 43 1.598 1.168 0.250 1.00 71.11 H new ATOM 0 HG13 VAL A 43 2.999 1.944 -0.526 1.00 71.11 H new ATOM 0 HG21 VAL A 43 5.095 0.902 1.546 1.00 31.11 H new ATOM 0 HG22 VAL A 43 5.062 2.599 1.010 1.00 31.11 H new ATOM 0 HG23 VAL A 43 4.957 2.211 2.744 1.00 31.11 H new ATOM 655 N VAL A 44 0.330 4.175 1.375 1.00 62.42 N ATOM 656 CA VAL A 44 -1.125 4.325 1.353 1.00 22.54 C ATOM 657 C VAL A 44 -1.645 3.739 0.032 1.00 34.11 C ATOM 658 O VAL A 44 -1.457 4.330 -1.032 1.00 51.23 O ATOM 659 CB VAL A 44 -1.520 5.854 1.473 1.00 73.44 C ATOM 660 CG1 VAL A 44 -3.049 6.060 1.504 1.00 12.11 C ATOM 661 CG2 VAL A 44 -0.844 6.519 2.705 1.00 52.41 C ATOM 0 H VAL A 44 0.818 4.915 0.871 1.00 62.42 H new ATOM 0 HA VAL A 44 -1.571 3.797 2.196 1.00 22.54 H new ATOM 0 HB VAL A 44 -1.146 6.347 0.575 1.00 73.44 H new ATOM 0 HG11 VAL A 44 -3.271 7.124 1.587 1.00 12.11 H new ATOM 0 HG12 VAL A 44 -3.488 5.668 0.586 1.00 12.11 H new ATOM 0 HG13 VAL A 44 -3.470 5.534 2.361 1.00 12.11 H new ATOM 0 HG21 VAL A 44 -1.136 7.568 2.758 1.00 52.41 H new ATOM 0 HG22 VAL A 44 -1.161 6.008 3.614 1.00 52.41 H new ATOM 0 HG23 VAL A 44 0.239 6.448 2.608 1.00 52.41 H new ATOM 671 N ILE A 45 -2.284 2.576 0.110 1.00 33.14 N ATOM 672 CA ILE A 45 -2.806 1.860 -1.057 1.00 1.03 C ATOM 673 C ILE A 45 -4.312 2.157 -1.212 1.00 63.43 C ATOM 674 O ILE A 45 -5.081 2.033 -0.252 1.00 2.20 O ATOM 675 CB ILE A 45 -2.580 0.309 -0.909 1.00 53.33 C ATOM 676 CG1 ILE A 45 -1.075 -0.013 -0.630 1.00 25.20 C ATOM 677 CG2 ILE A 45 -3.093 -0.448 -2.159 1.00 61.35 C ATOM 678 CD1 ILE A 45 -0.761 -1.477 -0.362 1.00 4.10 C ATOM 0 H ILE A 45 -2.458 2.096 0.993 1.00 33.14 H new ATOM 0 HA ILE A 45 -2.271 2.201 -1.944 1.00 1.03 H new ATOM 0 HB ILE A 45 -3.158 -0.036 -0.052 1.00 53.33 H new ATOM 0 HG12 ILE A 45 -0.486 0.317 -1.485 1.00 25.20 H new ATOM 0 HG13 ILE A 45 -0.748 0.574 0.228 1.00 25.20 H new ATOM 0 HG21 ILE A 45 -2.925 -1.517 -2.031 1.00 61.35 H new ATOM 0 HG22 ILE A 45 -4.159 -0.261 -2.286 1.00 61.35 H new ATOM 0 HG23 ILE A 45 -2.556 -0.099 -3.041 1.00 61.35 H new ATOM 0 HD11 ILE A 45 0.308 -1.593 -0.181 1.00 4.10 H new ATOM 0 HD12 ILE A 45 -1.316 -1.814 0.514 1.00 4.10 H new ATOM 0 HD13 ILE A 45 -1.049 -2.075 -1.226 1.00 4.10 H new ATOM 690 N TRP A 46 -4.711 2.566 -2.419 1.00 2.21 N ATOM 691 CA TRP A 46 -6.112 2.799 -2.788 1.00 14.43 C ATOM 692 C TRP A 46 -6.602 1.616 -3.629 1.00 62.22 C ATOM 693 O TRP A 46 -5.999 1.291 -4.663 1.00 62.23 O ATOM 694 CB TRP A 46 -6.224 4.132 -3.572 1.00 73.41 C ATOM 695 CG TRP A 46 -5.985 5.351 -2.703 1.00 5.41 C ATOM 696 CD1 TRP A 46 -4.780 5.843 -2.274 1.00 54.23 C ATOM 697 CD2 TRP A 46 -6.987 6.228 -2.169 1.00 34.34 C ATOM 698 NE1 TRP A 46 -4.979 6.954 -1.495 1.00 60.32 N ATOM 699 CE2 TRP A 46 -6.321 7.215 -1.422 1.00 23.03 C ATOM 700 CE3 TRP A 46 -8.385 6.268 -2.251 1.00 14.22 C ATOM 701 CZ2 TRP A 46 -7.004 8.234 -0.762 1.00 33.41 C ATOM 702 CZ3 TRP A 46 -9.063 7.282 -1.598 1.00 34.41 C ATOM 703 CH2 TRP A 46 -8.371 8.253 -0.862 1.00 41.42 C ATOM 0 H TRP A 46 -4.059 2.748 -3.182 1.00 2.21 H new ATOM 0 HA TRP A 46 -6.736 2.878 -1.898 1.00 14.43 H new ATOM 0 HB2 TRP A 46 -5.503 4.128 -4.390 1.00 73.41 H new ATOM 0 HB3 TRP A 46 -7.215 4.201 -4.021 1.00 73.41 H new ATOM 0 HD1 TRP A 46 -3.816 5.419 -2.514 1.00 54.23 H new ATOM 0 HE1 TRP A 46 -4.245 7.499 -1.042 1.00 60.32 H new ATOM 0 HE3 TRP A 46 -8.924 5.520 -2.814 1.00 14.22 H new ATOM 0 HZ2 TRP A 46 -6.475 8.983 -0.191 1.00 33.41 H new ATOM 0 HZ3 TRP A 46 -10.141 7.326 -1.656 1.00 34.41 H new ATOM 0 HH2 TRP A 46 -8.927 9.033 -0.363 1.00 41.42 H new ATOM 714 N THR A 47 -7.659 0.942 -3.159 1.00 31.44 N ATOM 715 CA THR A 47 -8.278 -0.173 -3.889 1.00 74.31 C ATOM 716 C THR A 47 -9.239 0.346 -4.992 1.00 13.35 C ATOM 717 O THR A 47 -9.542 1.547 -5.056 1.00 64.12 O ATOM 718 CB THR A 47 -9.038 -1.111 -2.900 1.00 24.24 C ATOM 719 OG1 THR A 47 -9.976 -0.342 -2.149 1.00 31.21 O ATOM 720 CG2 THR A 47 -8.080 -1.838 -1.933 1.00 11.30 C ATOM 0 H THR A 47 -8.108 1.152 -2.267 1.00 31.44 H new ATOM 0 HA THR A 47 -7.486 -0.742 -4.375 1.00 74.31 H new ATOM 0 HB THR A 47 -9.550 -1.871 -3.490 1.00 24.24 H new ATOM 0 HG1 THR A 47 -9.509 0.131 -1.429 1.00 31.21 H new ATOM 0 HG21 THR A 47 -8.655 -2.479 -1.265 1.00 11.30 H new ATOM 0 HG22 THR A 47 -7.379 -2.446 -2.504 1.00 11.30 H new ATOM 0 HG23 THR A 47 -7.529 -1.103 -1.346 1.00 11.30 H new ATOM 728 N LYS A 48 -9.713 -0.582 -5.853 1.00 61.24 N ATOM 729 CA LYS A 48 -10.675 -0.284 -6.945 1.00 54.54 C ATOM 730 C LYS A 48 -12.078 0.069 -6.389 1.00 10.20 C ATOM 731 O LYS A 48 -12.944 0.569 -7.119 1.00 2.35 O ATOM 732 CB LYS A 48 -10.754 -1.482 -7.940 1.00 2.22 C ATOM 733 CG LYS A 48 -11.323 -2.799 -7.348 1.00 20.04 C ATOM 734 CD LYS A 48 -11.461 -3.929 -8.401 1.00 75.11 C ATOM 735 CE LYS A 48 -12.373 -3.544 -9.581 1.00 51.44 C ATOM 736 NZ LYS A 48 -12.632 -4.690 -10.494 1.00 30.14 N ATOM 0 H LYS A 48 -9.440 -1.564 -5.812 1.00 61.24 H new ATOM 0 HA LYS A 48 -10.311 0.591 -7.483 1.00 54.54 H new ATOM 0 HB2 LYS A 48 -11.371 -1.188 -8.789 1.00 2.22 H new ATOM 0 HB3 LYS A 48 -9.754 -1.679 -8.326 1.00 2.22 H new ATOM 0 HG2 LYS A 48 -10.673 -3.139 -6.542 1.00 20.04 H new ATOM 0 HG3 LYS A 48 -12.300 -2.600 -6.907 1.00 20.04 H new ATOM 0 HD2 LYS A 48 -10.473 -4.186 -8.782 1.00 75.11 H new ATOM 0 HD3 LYS A 48 -11.858 -4.822 -7.918 1.00 75.11 H new ATOM 0 HE2 LYS A 48 -13.321 -3.168 -9.196 1.00 51.44 H new ATOM 0 HE3 LYS A 48 -11.912 -2.732 -10.143 1.00 51.44 H new ATOM 0 HZ1 LYS A 48 -13.250 -4.382 -11.272 1.00 30.14 H new ATOM 0 HZ2 LYS A 48 -11.731 -5.034 -10.883 1.00 30.14 H new ATOM 0 HZ3 LYS A 48 -13.096 -5.456 -9.966 1.00 30.14 H new ATOM 750 N MET A 49 -12.275 -0.195 -5.087 1.00 33.33 N ATOM 751 CA MET A 49 -13.493 0.190 -4.342 1.00 41.54 C ATOM 752 C MET A 49 -13.220 1.449 -3.478 1.00 71.33 C ATOM 753 O MET A 49 -13.973 1.741 -2.544 1.00 63.25 O ATOM 754 CB MET A 49 -13.994 -1.010 -3.478 1.00 14.13 C ATOM 755 CG MET A 49 -13.008 -1.531 -2.413 1.00 33.35 C ATOM 756 SD MET A 49 -13.706 -2.841 -1.384 1.00 45.14 S ATOM 757 CE MET A 49 -13.969 -4.158 -2.578 1.00 33.13 C ATOM 0 H MET A 49 -11.589 -0.686 -4.513 1.00 33.33 H new ATOM 0 HA MET A 49 -14.284 0.443 -5.048 1.00 41.54 H new ATOM 0 HB2 MET A 49 -14.915 -0.713 -2.978 1.00 14.13 H new ATOM 0 HB3 MET A 49 -14.246 -1.834 -4.146 1.00 14.13 H new ATOM 0 HG2 MET A 49 -12.111 -1.904 -2.908 1.00 33.35 H new ATOM 0 HG3 MET A 49 -12.699 -0.702 -1.776 1.00 33.35 H new ATOM 0 HE1 MET A 49 -14.174 -5.090 -2.052 1.00 33.13 H new ATOM 0 HE2 MET A 49 -14.817 -3.907 -3.216 1.00 33.13 H new ATOM 0 HE3 MET A 49 -13.076 -4.276 -3.192 1.00 33.13 H new ATOM 767 N LYS A 50 -12.127 2.182 -3.824 1.00 31.53 N ATOM 768 CA LYS A 50 -11.683 3.439 -3.155 1.00 3.23 C ATOM 769 C LYS A 50 -11.321 3.260 -1.660 1.00 0.44 C ATOM 770 O LYS A 50 -11.036 4.256 -0.983 1.00 23.04 O ATOM 771 CB LYS A 50 -12.723 4.599 -3.341 1.00 14.35 C ATOM 772 CG LYS A 50 -12.904 5.096 -4.794 1.00 5.22 C ATOM 773 CD LYS A 50 -11.579 5.605 -5.415 1.00 5.11 C ATOM 774 CE LYS A 50 -11.779 6.247 -6.802 1.00 14.43 C ATOM 775 NZ LYS A 50 -12.431 5.330 -7.778 1.00 30.53 N ATOM 0 H LYS A 50 -11.515 1.910 -4.593 1.00 31.53 H new ATOM 0 HA LYS A 50 -10.759 3.717 -3.662 1.00 3.23 H new ATOM 0 HB2 LYS A 50 -13.690 4.262 -2.966 1.00 14.35 H new ATOM 0 HB3 LYS A 50 -12.417 5.442 -2.721 1.00 14.35 H new ATOM 0 HG2 LYS A 50 -13.300 4.285 -5.405 1.00 5.22 H new ATOM 0 HG3 LYS A 50 -13.642 5.898 -4.811 1.00 5.22 H new ATOM 0 HD2 LYS A 50 -11.125 6.334 -4.744 1.00 5.11 H new ATOM 0 HD3 LYS A 50 -10.880 4.773 -5.502 1.00 5.11 H new ATOM 0 HE2 LYS A 50 -12.385 7.147 -6.696 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -10.811 6.559 -7.195 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -12.524 5.809 -8.696 1.00 30.53 H new ATOM 0 HZ2 LYS A 50 -11.851 4.474 -7.891 1.00 30.53 H new ATOM 0 HZ3 LYS A 50 -13.374 5.065 -7.429 1.00 30.53 H new ATOM 789 N LYS A 51 -11.288 2.006 -1.160 1.00 4.21 N ATOM 790 CA LYS A 51 -11.023 1.730 0.265 1.00 52.00 C ATOM 791 C LYS A 51 -9.521 1.986 0.538 1.00 45.03 C ATOM 792 O LYS A 51 -8.642 1.491 -0.195 1.00 41.05 O ATOM 793 CB LYS A 51 -11.479 0.267 0.637 1.00 4.12 C ATOM 794 CG LYS A 51 -11.666 -0.047 2.153 1.00 72.04 C ATOM 795 CD LYS A 51 -10.344 -0.194 2.935 1.00 62.11 C ATOM 796 CE LYS A 51 -10.532 -0.355 4.453 1.00 2.50 C ATOM 797 NZ LYS A 51 -11.201 -1.632 4.815 1.00 63.53 N ATOM 0 H LYS A 51 -11.442 1.170 -1.724 1.00 4.21 H new ATOM 0 HA LYS A 51 -11.603 2.395 0.905 1.00 52.00 H new ATOM 0 HB2 LYS A 51 -12.422 0.066 0.130 1.00 4.12 H new ATOM 0 HB3 LYS A 51 -10.745 -0.431 0.234 1.00 4.12 H new ATOM 0 HG2 LYS A 51 -12.258 0.748 2.607 1.00 72.04 H new ATOM 0 HG3 LYS A 51 -12.239 -0.968 2.254 1.00 72.04 H new ATOM 0 HD2 LYS A 51 -9.801 -1.058 2.552 1.00 62.11 H new ATOM 0 HD3 LYS A 51 -9.723 0.682 2.747 1.00 62.11 H new ATOM 0 HE2 LYS A 51 -9.559 -0.307 4.943 1.00 2.50 H new ATOM 0 HE3 LYS A 51 -11.121 0.480 4.833 1.00 2.50 H new ATOM 0 HZ1 LYS A 51 -11.303 -1.690 5.848 1.00 63.53 H new ATOM 0 HZ2 LYS A 51 -12.141 -1.669 4.372 1.00 63.53 H new ATOM 0 HZ3 LYS A 51 -10.628 -2.432 4.478 1.00 63.53 H new ATOM 811 N VAL A 52 -9.267 2.795 1.574 1.00 33.14 N ATOM 812 CA VAL A 52 -7.923 3.184 2.005 1.00 73.32 C ATOM 813 C VAL A 52 -7.356 2.123 2.964 1.00 32.13 C ATOM 814 O VAL A 52 -7.930 1.865 4.027 1.00 14.33 O ATOM 815 CB VAL A 52 -7.942 4.589 2.720 1.00 21.41 C ATOM 816 CG1 VAL A 52 -6.546 4.963 3.262 1.00 44.23 C ATOM 817 CG2 VAL A 52 -8.480 5.684 1.771 1.00 62.31 C ATOM 0 H VAL A 52 -10.006 3.204 2.146 1.00 33.14 H new ATOM 0 HA VAL A 52 -7.289 3.256 1.121 1.00 73.32 H new ATOM 0 HB VAL A 52 -8.618 4.518 3.572 1.00 21.41 H new ATOM 0 HG11 VAL A 52 -6.594 5.937 3.749 1.00 44.23 H new ATOM 0 HG12 VAL A 52 -6.223 4.212 3.983 1.00 44.23 H new ATOM 0 HG13 VAL A 52 -5.835 5.004 2.437 1.00 44.23 H new ATOM 0 HG21 VAL A 52 -8.483 6.644 2.288 1.00 62.31 H new ATOM 0 HG22 VAL A 52 -7.841 5.748 0.890 1.00 62.31 H new ATOM 0 HG23 VAL A 52 -9.496 5.433 1.465 1.00 62.31 H new ATOM 827 N ILE A 53 -6.240 1.514 2.571 1.00 25.44 N ATOM 828 CA ILE A 53 -5.489 0.561 3.404 1.00 33.33 C ATOM 829 C ILE A 53 -4.031 1.016 3.447 1.00 62.01 C ATOM 830 O ILE A 53 -3.530 1.568 2.472 1.00 60.43 O ATOM 831 CB ILE A 53 -5.580 -0.926 2.865 1.00 72.13 C ATOM 832 CG1 ILE A 53 -5.207 -1.005 1.350 1.00 52.40 C ATOM 833 CG2 ILE A 53 -6.977 -1.534 3.118 1.00 64.32 C ATOM 834 CD1 ILE A 53 -5.121 -2.404 0.782 1.00 1.12 C ATOM 0 H ILE A 53 -5.821 1.666 1.654 1.00 25.44 H new ATOM 0 HA ILE A 53 -5.928 0.553 4.402 1.00 33.33 H new ATOM 0 HB ILE A 53 -4.853 -1.517 3.422 1.00 72.13 H new ATOM 0 HG12 ILE A 53 -5.947 -0.443 0.780 1.00 52.40 H new ATOM 0 HG13 ILE A 53 -4.247 -0.510 1.202 1.00 52.40 H new ATOM 0 HG21 ILE A 53 -7.004 -2.554 2.736 1.00 64.32 H new ATOM 0 HG22 ILE A 53 -7.182 -1.542 4.189 1.00 64.32 H new ATOM 0 HG23 ILE A 53 -7.732 -0.935 2.608 1.00 64.32 H new ATOM 0 HD11 ILE A 53 -4.857 -2.352 -0.274 1.00 1.12 H new ATOM 0 HD12 ILE A 53 -4.359 -2.969 1.319 1.00 1.12 H new ATOM 0 HD13 ILE A 53 -6.085 -2.901 0.891 1.00 1.12 H new ATOM 846 N CYS A 54 -3.360 0.817 4.582 1.00 60.15 N ATOM 847 CA CYS A 54 -1.942 1.174 4.734 1.00 54.25 C ATOM 848 C CYS A 54 -1.132 -0.072 5.083 1.00 53.11 C ATOM 849 O CYS A 54 -1.616 -0.947 5.815 1.00 42.32 O ATOM 850 CB CYS A 54 -1.777 2.240 5.833 1.00 15.32 C ATOM 851 SG CYS A 54 -2.786 3.729 5.577 1.00 62.31 S ATOM 0 H CYS A 54 -3.777 0.407 5.418 1.00 60.15 H new ATOM 0 HA CYS A 54 -1.576 1.585 3.793 1.00 54.25 H new ATOM 0 HB2 CYS A 54 -2.037 1.798 6.795 1.00 15.32 H new ATOM 0 HB3 CYS A 54 -0.728 2.530 5.889 1.00 15.32 H new ATOM 856 N VAL A 55 0.088 -0.165 4.536 1.00 1.10 N ATOM 857 CA VAL A 55 1.060 -1.207 4.915 1.00 14.23 C ATOM 858 C VAL A 55 2.386 -0.555 5.316 1.00 63.55 C ATOM 859 O VAL A 55 2.660 0.605 4.970 1.00 33.21 O ATOM 860 CB VAL A 55 1.305 -2.277 3.778 1.00 70.53 C ATOM 861 CG1 VAL A 55 -0.002 -2.988 3.391 1.00 2.02 C ATOM 862 CG2 VAL A 55 1.984 -1.673 2.532 1.00 11.04 C ATOM 0 H VAL A 55 0.431 0.476 3.821 1.00 1.10 H new ATOM 0 HA VAL A 55 0.632 -1.746 5.760 1.00 14.23 H new ATOM 0 HB VAL A 55 1.992 -3.015 4.192 1.00 70.53 H new ATOM 0 HG11 VAL A 55 0.199 -3.718 2.607 1.00 2.02 H new ATOM 0 HG12 VAL A 55 -0.412 -3.497 4.264 1.00 2.02 H new ATOM 0 HG13 VAL A 55 -0.722 -2.254 3.028 1.00 2.02 H new ATOM 0 HG21 VAL A 55 2.128 -2.452 1.783 1.00 11.04 H new ATOM 0 HG22 VAL A 55 1.353 -0.885 2.120 1.00 11.04 H new ATOM 0 HG23 VAL A 55 2.951 -1.255 2.811 1.00 11.04 H new ATOM 872 N ASN A 56 3.185 -1.314 6.064 1.00 25.22 N ATOM 873 CA ASN A 56 4.537 -0.918 6.458 1.00 15.33 C ATOM 874 C ASN A 56 5.491 -1.056 5.243 1.00 74.35 C ATOM 875 O ASN A 56 5.295 -1.956 4.419 1.00 0.33 O ATOM 876 CB ASN A 56 5.003 -1.807 7.640 1.00 63.14 C ATOM 877 CG ASN A 56 4.131 -1.675 8.904 1.00 54.44 C ATOM 878 OD1 ASN A 56 3.928 -2.653 9.631 1.00 61.14 O ATOM 879 ND2 ASN A 56 3.652 -0.470 9.217 1.00 71.43 N ATOM 0 H ASN A 56 2.910 -2.230 6.417 1.00 25.22 H new ATOM 0 HA ASN A 56 4.547 0.123 6.782 1.00 15.33 H new ATOM 0 HB2 ASN A 56 5.005 -2.849 7.319 1.00 63.14 H new ATOM 0 HB3 ASN A 56 6.032 -1.549 7.892 1.00 63.14 H new ATOM 0 HD21 ASN A 56 3.107 -0.344 10.070 1.00 71.43 H new ATOM 0 HD22 ASN A 56 3.831 0.325 8.603 1.00 71.43 H new ATOM 886 N PRO A 57 6.532 -0.170 5.104 1.00 43.34 N ATOM 887 CA PRO A 57 7.478 -0.203 3.951 1.00 60.31 C ATOM 888 C PRO A 57 8.282 -1.522 3.863 1.00 12.44 C ATOM 889 O PRO A 57 8.753 -1.898 2.783 1.00 53.21 O ATOM 890 CB PRO A 57 8.403 1.023 4.203 1.00 23.43 C ATOM 891 CG PRO A 57 8.292 1.284 5.676 1.00 55.21 C ATOM 892 CD PRO A 57 6.866 0.936 6.035 1.00 41.31 C ATOM 0 HA PRO A 57 6.956 -0.157 2.995 1.00 60.31 H new ATOM 0 HB2 PRO A 57 9.432 0.809 3.915 1.00 23.43 H new ATOM 0 HB3 PRO A 57 8.082 1.888 3.622 1.00 23.43 H new ATOM 0 HG2 PRO A 57 8.999 0.674 6.238 1.00 55.21 H new ATOM 0 HG3 PRO A 57 8.514 2.326 5.909 1.00 55.21 H new ATOM 0 HD2 PRO A 57 6.779 0.624 7.076 1.00 41.31 H new ATOM 0 HD3 PRO A 57 6.199 1.788 5.901 1.00 41.31 H new ATOM 900 N ARG A 58 8.426 -2.219 5.010 1.00 43.03 N ATOM 901 CA ARG A 58 9.185 -3.483 5.112 1.00 24.33 C ATOM 902 C ARG A 58 8.243 -4.695 5.254 1.00 51.33 C ATOM 903 O ARG A 58 8.656 -5.757 5.744 1.00 51.02 O ATOM 904 CB ARG A 58 10.182 -3.389 6.300 1.00 23.12 C ATOM 905 CG ARG A 58 11.150 -2.168 6.265 1.00 14.42 C ATOM 906 CD ARG A 58 12.203 -2.216 5.137 1.00 45.44 C ATOM 907 NE ARG A 58 11.632 -2.051 3.791 1.00 63.31 N ATOM 908 CZ ARG A 58 12.318 -2.032 2.640 1.00 41.05 C ATOM 909 NH1 ARG A 58 13.648 -2.152 2.629 1.00 53.54 N ATOM 910 NH2 ARG A 58 11.656 -1.924 1.493 1.00 50.44 N ATOM 0 H ARG A 58 8.017 -1.919 5.895 1.00 43.03 H new ATOM 0 HA ARG A 58 9.749 -3.634 4.192 1.00 24.33 H new ATOM 0 HB2 ARG A 58 9.612 -3.353 7.228 1.00 23.12 H new ATOM 0 HB3 ARG A 58 10.777 -4.302 6.326 1.00 23.12 H new ATOM 0 HG2 ARG A 58 10.561 -1.257 6.156 1.00 14.42 H new ATOM 0 HG3 ARG A 58 11.666 -2.102 7.223 1.00 14.42 H new ATOM 0 HD2 ARG A 58 12.942 -1.433 5.308 1.00 45.44 H new ATOM 0 HD3 ARG A 58 12.731 -3.168 5.184 1.00 45.44 H new ATOM 0 HE ARG A 58 10.620 -1.941 3.728 1.00 63.31 H new ATOM 0 HH11 ARG A 58 14.158 -2.260 3.506 1.00 53.54 H new ATOM 0 HH12 ARG A 58 14.154 -2.135 1.744 1.00 53.54 H new ATOM 0 HH21 ARG A 58 10.638 -1.857 1.496 1.00 50.44 H new ATOM 0 HH22 ARG A 58 12.166 -1.908 0.610 1.00 50.44 H new ATOM 924 N ALA A 59 6.980 -4.536 4.799 1.00 4.41 N ATOM 925 CA ALA A 59 6.023 -5.653 4.690 1.00 14.42 C ATOM 926 C ALA A 59 6.473 -6.596 3.553 1.00 24.52 C ATOM 927 O ALA A 59 6.855 -6.132 2.469 1.00 12.32 O ATOM 928 CB ALA A 59 4.591 -5.128 4.461 1.00 53.11 C ATOM 0 H ALA A 59 6.601 -3.637 4.500 1.00 4.41 H new ATOM 0 HA ALA A 59 6.009 -6.214 5.624 1.00 14.42 H new ATOM 0 HB1 ALA A 59 3.903 -5.970 4.384 1.00 53.11 H new ATOM 0 HB2 ALA A 59 4.297 -4.495 5.298 1.00 53.11 H new ATOM 0 HB3 ALA A 59 4.559 -4.548 3.539 1.00 53.11 H new ATOM 934 N LYS A 60 6.439 -7.917 3.816 1.00 21.12 N ATOM 935 CA LYS A 60 7.029 -8.937 2.924 1.00 3.14 C ATOM 936 C LYS A 60 6.293 -9.006 1.572 1.00 1.50 C ATOM 937 O LYS A 60 6.927 -9.146 0.518 1.00 63.50 O ATOM 938 CB LYS A 60 7.016 -10.339 3.604 1.00 71.51 C ATOM 939 CG LYS A 60 7.557 -10.415 5.060 1.00 5.12 C ATOM 940 CD LYS A 60 9.010 -9.925 5.246 1.00 60.40 C ATOM 941 CE LYS A 60 10.019 -10.620 4.325 1.00 50.01 C ATOM 942 NZ LYS A 60 11.373 -10.037 4.465 1.00 11.32 N ATOM 0 H LYS A 60 6.003 -8.308 4.651 1.00 21.12 H new ATOM 0 HA LYS A 60 8.061 -8.641 2.735 1.00 3.14 H new ATOM 0 HB2 LYS A 60 5.990 -10.708 3.603 1.00 71.51 H new ATOM 0 HB3 LYS A 60 7.601 -11.021 2.988 1.00 71.51 H new ATOM 0 HG2 LYS A 60 6.906 -9.824 5.704 1.00 5.12 H new ATOM 0 HG3 LYS A 60 7.492 -11.448 5.402 1.00 5.12 H new ATOM 0 HD2 LYS A 60 9.047 -8.851 5.066 1.00 60.40 H new ATOM 0 HD3 LYS A 60 9.308 -10.085 6.282 1.00 60.40 H new ATOM 0 HE2 LYS A 60 10.054 -11.684 4.559 1.00 50.01 H new ATOM 0 HE3 LYS A 60 9.689 -10.532 3.290 1.00 50.01 H new ATOM 0 HZ1 LYS A 60 12.031 -10.530 3.828 1.00 11.32 H new ATOM 0 HZ2 LYS A 60 11.343 -9.027 4.218 1.00 11.32 H new ATOM 0 HZ3 LYS A 60 11.697 -10.144 5.447 1.00 11.32 H new ATOM 956 N TRP A 61 4.955 -8.886 1.616 1.00 24.23 N ATOM 957 CA TRP A 61 4.109 -8.944 0.411 1.00 15.30 C ATOM 958 C TRP A 61 4.338 -7.684 -0.459 1.00 61.35 C ATOM 959 O TRP A 61 4.225 -7.743 -1.677 1.00 54.15 O ATOM 960 CB TRP A 61 2.601 -9.116 0.800 1.00 54.33 C ATOM 961 CG TRP A 61 1.844 -7.817 1.025 1.00 71.31 C ATOM 962 CD1 TRP A 61 1.983 -6.935 2.064 1.00 63.43 C ATOM 963 CD2 TRP A 61 0.844 -7.257 0.162 1.00 42.32 C ATOM 964 NE1 TRP A 61 1.166 -5.854 1.872 1.00 24.14 N ATOM 965 CE2 TRP A 61 0.452 -6.032 0.716 1.00 13.02 C ATOM 966 CE3 TRP A 61 0.250 -7.678 -1.036 1.00 70.42 C ATOM 967 CZ2 TRP A 61 -0.497 -5.213 0.111 1.00 0.42 C ATOM 968 CZ3 TRP A 61 -0.695 -6.865 -1.632 1.00 43.10 C ATOM 969 CH2 TRP A 61 -1.059 -5.647 -1.059 1.00 4.15 C ATOM 0 H TRP A 61 4.432 -8.747 2.481 1.00 24.23 H new ATOM 0 HA TRP A 61 4.391 -9.815 -0.180 1.00 15.30 H new ATOM 0 HB2 TRP A 61 2.100 -9.679 0.013 1.00 54.33 H new ATOM 0 HB3 TRP A 61 2.542 -9.716 1.708 1.00 54.33 H new ATOM 0 HD1 TRP A 61 2.640 -7.072 2.910 1.00 63.43 H new ATOM 0 HE1 TRP A 61 1.099 -5.045 2.490 1.00 24.14 H new ATOM 0 HE3 TRP A 61 0.526 -8.621 -1.485 1.00 70.42 H new ATOM 0 HZ2 TRP A 61 -0.780 -4.268 0.550 1.00 0.42 H new ATOM 0 HZ3 TRP A 61 -1.159 -7.178 -2.556 1.00 43.10 H new ATOM 0 HH2 TRP A 61 -1.800 -5.033 -1.549 1.00 4.15 H new ATOM 980 N LEU A 62 4.679 -6.549 0.199 1.00 25.13 N ATOM 981 CA LEU A 62 4.929 -5.266 -0.480 1.00 2.20 C ATOM 982 C LEU A 62 6.211 -5.335 -1.324 1.00 53.33 C ATOM 983 O LEU A 62 6.276 -4.727 -2.385 1.00 55.32 O ATOM 984 CB LEU A 62 5.030 -4.102 0.537 1.00 32.23 C ATOM 985 CG LEU A 62 5.355 -2.691 -0.077 1.00 14.50 C ATOM 986 CD1 LEU A 62 4.194 -2.137 -0.930 1.00 10.55 C ATOM 987 CD2 LEU A 62 5.788 -1.687 0.998 1.00 45.25 C ATOM 0 H LEU A 62 4.787 -6.503 1.212 1.00 25.13 H new ATOM 0 HA LEU A 62 4.082 -5.075 -1.139 1.00 2.20 H new ATOM 0 HB2 LEU A 62 4.087 -4.034 1.079 1.00 32.23 H new ATOM 0 HB3 LEU A 62 5.801 -4.347 1.267 1.00 32.23 H new ATOM 0 HG LEU A 62 6.200 -2.837 -0.750 1.00 14.50 H new ATOM 0 HD11 LEU A 62 4.470 -1.161 -1.330 1.00 10.55 H new ATOM 0 HD12 LEU A 62 3.988 -2.822 -1.753 1.00 10.55 H new ATOM 0 HD13 LEU A 62 3.303 -2.036 -0.310 1.00 10.55 H new ATOM 0 HD21 LEU A 62 6.003 -0.725 0.532 1.00 45.25 H new ATOM 0 HD22 LEU A 62 4.987 -1.566 1.727 1.00 45.25 H new ATOM 0 HD23 LEU A 62 6.683 -2.055 1.500 1.00 45.25 H new ATOM 999 N GLN A 63 7.220 -6.097 -0.845 1.00 25.42 N ATOM 1000 CA GLN A 63 8.478 -6.334 -1.598 1.00 21.14 C ATOM 1001 C GLN A 63 8.185 -6.959 -2.984 1.00 64.42 C ATOM 1002 O GLN A 63 8.865 -6.663 -3.977 1.00 25.14 O ATOM 1003 CB GLN A 63 9.437 -7.245 -0.782 1.00 14.43 C ATOM 1004 CG GLN A 63 9.917 -6.649 0.559 1.00 10.13 C ATOM 1005 CD GLN A 63 10.689 -5.334 0.397 1.00 72.41 C ATOM 1006 OE1 GLN A 63 10.122 -4.241 0.457 1.00 5.14 O ATOM 1007 NE2 GLN A 63 11.988 -5.433 0.158 1.00 13.12 N ATOM 0 H GLN A 63 7.189 -6.561 0.063 1.00 25.42 H new ATOM 0 HA GLN A 63 8.964 -5.371 -1.757 1.00 21.14 H new ATOM 0 HB2 GLN A 63 8.934 -8.191 -0.583 1.00 14.43 H new ATOM 0 HB3 GLN A 63 10.309 -7.471 -1.395 1.00 14.43 H new ATOM 0 HG2 GLN A 63 9.054 -6.479 1.202 1.00 10.13 H new ATOM 0 HG3 GLN A 63 10.553 -7.376 1.065 1.00 10.13 H new ATOM 0 HE21 GLN A 63 12.430 -6.351 0.114 1.00 13.12 H new ATOM 0 HE22 GLN A 63 12.546 -4.591 0.018 1.00 13.12 H new ATOM 1016 N ARG A 64 7.113 -7.777 -3.028 1.00 73.31 N ATOM 1017 CA ARG A 64 6.611 -8.387 -4.269 1.00 31.55 C ATOM 1018 C ARG A 64 6.070 -7.296 -5.194 1.00 54.44 C ATOM 1019 O ARG A 64 6.394 -7.273 -6.369 1.00 15.33 O ATOM 1020 CB ARG A 64 5.501 -9.433 -3.978 1.00 44.31 C ATOM 1021 CG ARG A 64 5.968 -10.636 -3.136 1.00 11.15 C ATOM 1022 CD ARG A 64 4.819 -11.561 -2.705 1.00 23.50 C ATOM 1023 NE ARG A 64 5.321 -12.666 -1.870 1.00 15.10 N ATOM 1024 CZ ARG A 64 4.614 -13.336 -0.946 1.00 15.12 C ATOM 1025 NH1 ARG A 64 3.336 -13.037 -0.709 1.00 42.55 N ATOM 1026 NH2 ARG A 64 5.194 -14.318 -0.271 1.00 54.14 N ATOM 0 H ARG A 64 6.573 -8.031 -2.201 1.00 73.31 H new ATOM 0 HA ARG A 64 7.439 -8.904 -4.754 1.00 31.55 H new ATOM 0 HB2 ARG A 64 4.679 -8.939 -3.460 1.00 44.31 H new ATOM 0 HB3 ARG A 64 5.106 -9.799 -4.926 1.00 44.31 H new ATOM 0 HG2 ARG A 64 6.693 -11.213 -3.710 1.00 11.15 H new ATOM 0 HG3 ARG A 64 6.483 -10.270 -2.248 1.00 11.15 H new ATOM 0 HD2 ARG A 64 4.075 -10.989 -2.150 1.00 23.50 H new ATOM 0 HD3 ARG A 64 4.320 -11.963 -3.587 1.00 23.50 H new ATOM 0 HE ARG A 64 6.292 -12.947 -2.006 1.00 15.10 H new ATOM 0 HH11 ARG A 64 2.881 -12.289 -1.233 1.00 42.55 H new ATOM 0 HH12 ARG A 64 2.813 -13.556 -0.003 1.00 42.55 H new ATOM 0 HH21 ARG A 64 6.168 -14.558 -0.456 1.00 54.14 H new ATOM 0 HH22 ARG A 64 4.666 -14.834 0.433 1.00 54.14 H new ATOM 1040 N LEU A 65 5.280 -6.369 -4.617 1.00 11.13 N ATOM 1041 CA LEU A 65 4.630 -5.263 -5.359 1.00 54.31 C ATOM 1042 C LEU A 65 5.685 -4.322 -5.960 1.00 43.43 C ATOM 1043 O LEU A 65 5.574 -3.932 -7.123 1.00 20.35 O ATOM 1044 CB LEU A 65 3.647 -4.471 -4.430 1.00 41.02 C ATOM 1045 CG LEU A 65 2.190 -5.036 -4.241 1.00 0.53 C ATOM 1046 CD1 LEU A 65 1.336 -4.902 -5.522 1.00 2.32 C ATOM 1047 CD2 LEU A 65 2.193 -6.494 -3.736 1.00 63.43 C ATOM 0 H LEU A 65 5.072 -6.364 -3.618 1.00 11.13 H new ATOM 0 HA LEU A 65 4.051 -5.695 -6.175 1.00 54.31 H new ATOM 0 HB2 LEU A 65 4.106 -4.397 -3.444 1.00 41.02 H new ATOM 0 HB3 LEU A 65 3.564 -3.457 -4.820 1.00 41.02 H new ATOM 0 HG LEU A 65 1.726 -4.418 -3.472 1.00 0.53 H new ATOM 0 HD11 LEU A 65 0.340 -5.306 -5.339 1.00 2.32 H new ATOM 0 HD12 LEU A 65 1.256 -3.850 -5.798 1.00 2.32 H new ATOM 0 HD13 LEU A 65 1.809 -5.455 -6.334 1.00 2.32 H new ATOM 0 HD21 LEU A 65 1.166 -6.841 -3.620 1.00 63.43 H new ATOM 0 HD22 LEU A 65 2.711 -7.127 -4.456 1.00 63.43 H new ATOM 0 HD23 LEU A 65 2.704 -6.545 -2.774 1.00 63.43 H new ATOM 1059 N LEU A 66 6.724 -4.008 -5.154 1.00 2.50 N ATOM 1060 CA LEU A 66 7.811 -3.093 -5.545 1.00 11.22 C ATOM 1061 C LEU A 66 8.600 -3.670 -6.732 1.00 32.44 C ATOM 1062 O LEU A 66 8.796 -2.987 -7.733 1.00 24.40 O ATOM 1063 CB LEU A 66 8.760 -2.814 -4.337 1.00 31.32 C ATOM 1064 CG LEU A 66 8.114 -2.134 -3.079 1.00 42.13 C ATOM 1065 CD1 LEU A 66 9.145 -1.951 -1.940 1.00 4.40 C ATOM 1066 CD2 LEU A 66 7.434 -0.789 -3.437 1.00 55.44 C ATOM 0 H LEU A 66 6.829 -4.385 -4.212 1.00 2.50 H new ATOM 0 HA LEU A 66 7.367 -2.147 -5.854 1.00 11.22 H new ATOM 0 HB2 LEU A 66 9.201 -3.761 -4.024 1.00 31.32 H new ATOM 0 HB3 LEU A 66 9.577 -2.182 -4.684 1.00 31.32 H new ATOM 0 HG LEU A 66 7.336 -2.807 -2.718 1.00 42.13 H new ATOM 0 HD11 LEU A 66 8.662 -1.477 -1.085 1.00 4.40 H new ATOM 0 HD12 LEU A 66 9.536 -2.924 -1.643 1.00 4.40 H new ATOM 0 HD13 LEU A 66 9.964 -1.322 -2.288 1.00 4.40 H new ATOM 0 HD21 LEU A 66 6.999 -0.351 -2.539 1.00 55.44 H new ATOM 0 HD22 LEU A 66 8.175 -0.106 -3.852 1.00 55.44 H new ATOM 0 HD23 LEU A 66 6.649 -0.963 -4.173 1.00 55.44 H new ATOM 1078 N ARG A 67 9.003 -4.954 -6.619 1.00 5.15 N ATOM 1079 CA ARG A 67 9.787 -5.647 -7.674 1.00 64.42 C ATOM 1080 C ARG A 67 8.931 -5.976 -8.922 1.00 4.41 C ATOM 1081 O ARG A 67 9.465 -6.075 -10.033 1.00 22.21 O ATOM 1082 CB ARG A 67 10.422 -6.940 -7.093 1.00 13.43 C ATOM 1083 CG ARG A 67 11.502 -6.689 -6.010 1.00 35.30 C ATOM 1084 CD ARG A 67 12.012 -7.990 -5.366 1.00 64.01 C ATOM 1085 NE ARG A 67 10.935 -8.723 -4.669 1.00 3.14 N ATOM 1086 CZ ARG A 67 11.112 -9.750 -3.825 1.00 4.42 C ATOM 1087 NH1 ARG A 67 12.331 -10.214 -3.539 1.00 32.31 N ATOM 1088 NH2 ARG A 67 10.057 -10.324 -3.276 1.00 20.05 N ATOM 0 H ARG A 67 8.799 -5.536 -5.807 1.00 5.15 H new ATOM 0 HA ARG A 67 10.575 -4.968 -8.000 1.00 64.42 H new ATOM 0 HB2 ARG A 67 9.632 -7.558 -6.666 1.00 13.43 H new ATOM 0 HB3 ARG A 67 10.867 -7.510 -7.908 1.00 13.43 H new ATOM 0 HG2 ARG A 67 12.342 -6.156 -6.457 1.00 35.30 H new ATOM 0 HG3 ARG A 67 11.090 -6.042 -5.235 1.00 35.30 H new ATOM 0 HD2 ARG A 67 12.446 -8.629 -6.135 1.00 64.01 H new ATOM 0 HD3 ARG A 67 12.808 -7.756 -4.659 1.00 64.01 H new ATOM 0 HE ARG A 67 9.976 -8.423 -4.845 1.00 3.14 H new ATOM 0 HH11 ARG A 67 13.153 -9.786 -3.966 1.00 32.31 H new ATOM 0 HH12 ARG A 67 12.440 -10.996 -2.894 1.00 32.31 H new ATOM 0 HH21 ARG A 67 9.120 -9.985 -3.495 1.00 20.05 H new ATOM 0 HH22 ARG A 67 10.179 -11.106 -2.633 1.00 20.05 H new ATOM 1102 N HIS A 68 7.610 -6.143 -8.726 1.00 43.30 N ATOM 1103 CA HIS A 68 6.667 -6.508 -9.806 1.00 54.42 C ATOM 1104 C HIS A 68 6.363 -5.295 -10.707 1.00 11.53 C ATOM 1105 O HIS A 68 6.305 -5.426 -11.934 1.00 62.52 O ATOM 1106 CB HIS A 68 5.361 -7.073 -9.185 1.00 2.23 C ATOM 1107 CG HIS A 68 4.333 -7.587 -10.152 1.00 43.03 C ATOM 1108 ND1 HIS A 68 2.980 -7.439 -9.938 1.00 42.22 N ATOM 1109 CD2 HIS A 68 4.447 -8.310 -11.289 1.00 10.41 C ATOM 1110 CE1 HIS A 68 2.311 -8.032 -10.901 1.00 51.41 C ATOM 1111 NE2 HIS A 68 3.180 -8.571 -11.728 1.00 12.33 N ATOM 0 H HIS A 68 7.164 -6.029 -7.816 1.00 43.30 H new ATOM 0 HA HIS A 68 7.126 -7.275 -10.430 1.00 54.42 H new ATOM 0 HB2 HIS A 68 5.627 -7.883 -8.506 1.00 2.23 H new ATOM 0 HB3 HIS A 68 4.902 -6.290 -8.582 1.00 2.23 H new ATOM 0 HD2 HIS A 68 5.367 -8.622 -11.761 1.00 10.41 H new ATOM 0 HE1 HIS A 68 1.236 -8.070 -10.997 1.00 51.41 H new ATOM 0 HE2 HIS A 68 2.945 -9.101 -12.567 1.00 12.33 H new ATOM 1120 N VAL A 69 6.165 -4.117 -10.080 1.00 73.42 N ATOM 1121 CA VAL A 69 5.871 -2.860 -10.813 1.00 63.40 C ATOM 1122 C VAL A 69 7.169 -2.257 -11.395 1.00 23.21 C ATOM 1123 O VAL A 69 7.136 -1.566 -12.422 1.00 43.52 O ATOM 1124 CB VAL A 69 5.113 -1.784 -9.931 1.00 22.03 C ATOM 1125 CG1 VAL A 69 3.781 -2.345 -9.378 1.00 11.11 C ATOM 1126 CG2 VAL A 69 5.998 -1.212 -8.789 1.00 51.12 C ATOM 0 H VAL A 69 6.203 -4.006 -9.067 1.00 73.42 H new ATOM 0 HA VAL A 69 5.196 -3.129 -11.626 1.00 63.40 H new ATOM 0 HB VAL A 69 4.881 -0.950 -10.594 1.00 22.03 H new ATOM 0 HG11 VAL A 69 3.286 -1.582 -8.777 1.00 11.11 H new ATOM 0 HG12 VAL A 69 3.134 -2.630 -10.208 1.00 11.11 H new ATOM 0 HG13 VAL A 69 3.983 -3.219 -8.759 1.00 11.11 H new ATOM 0 HG21 VAL A 69 5.427 -0.480 -8.218 1.00 51.12 H new ATOM 0 HG22 VAL A 69 6.311 -2.022 -8.130 1.00 51.12 H new ATOM 0 HG23 VAL A 69 6.878 -0.732 -9.217 1.00 51.12 H new ATOM 1136 N GLN A 70 8.305 -2.532 -10.728 1.00 41.32 N ATOM 1137 CA GLN A 70 9.642 -2.097 -11.191 1.00 5.02 C ATOM 1138 C GLN A 70 10.167 -3.064 -12.271 1.00 54.14 C ATOM 1139 O GLN A 70 9.813 -4.247 -12.266 1.00 2.31 O ATOM 1140 CB GLN A 70 10.626 -1.997 -9.989 1.00 55.02 C ATOM 1141 CG GLN A 70 12.067 -1.544 -10.339 1.00 32.32 C ATOM 1142 CD GLN A 70 12.146 -0.214 -11.112 1.00 22.42 C ATOM 1143 OE1 GLN A 70 11.314 0.677 -10.948 1.00 71.34 O ATOM 1144 NE2 GLN A 70 13.148 -0.080 -11.960 1.00 5.10 N ATOM 0 H GLN A 70 8.326 -3.060 -9.856 1.00 41.32 H new ATOM 0 HA GLN A 70 9.562 -1.105 -11.636 1.00 5.02 H new ATOM 0 HB2 GLN A 70 10.212 -1.300 -9.261 1.00 55.02 H new ATOM 0 HB3 GLN A 70 10.678 -2.971 -9.503 1.00 55.02 H new ATOM 0 HG2 GLN A 70 12.639 -1.448 -9.416 1.00 32.32 H new ATOM 0 HG3 GLN A 70 12.546 -2.324 -10.931 1.00 32.32 H new ATOM 0 HE21 GLN A 70 13.823 -0.836 -12.075 1.00 5.10 H new ATOM 0 HE22 GLN A 70 13.247 0.779 -12.500 1.00 5.10 H new ATOM 1153 N SER A 71 10.984 -2.511 -13.201 1.00 30.12 N ATOM 1154 CA SER A 71 11.541 -3.212 -14.378 1.00 24.14 C ATOM 1155 C SER A 71 10.441 -3.490 -15.427 1.00 3.22 C ATOM 1156 O SER A 71 10.631 -4.288 -16.350 1.00 12.50 O ATOM 1157 CB SER A 71 12.307 -4.505 -13.973 1.00 60.32 C ATOM 1158 OG SER A 71 13.253 -4.239 -12.946 1.00 71.24 O ATOM 0 H SER A 71 11.280 -1.536 -13.149 1.00 30.12 H new ATOM 0 HA SER A 71 12.274 -2.552 -14.842 1.00 24.14 H new ATOM 0 HB2 SER A 71 11.598 -5.260 -13.632 1.00 60.32 H new ATOM 0 HB3 SER A 71 12.817 -4.917 -14.844 1.00 60.32 H new ATOM 0 HG SER A 71 13.720 -5.067 -12.708 1.00 71.24 H new ATOM 1164 N LYS A 72 9.299 -2.785 -15.290 1.00 23.33 N ATOM 1165 CA LYS A 72 8.156 -2.900 -16.206 1.00 74.21 C ATOM 1166 C LYS A 72 8.048 -1.613 -17.040 1.00 64.12 C ATOM 1167 O LYS A 72 7.607 -0.569 -16.539 1.00 41.41 O ATOM 1168 CB LYS A 72 6.856 -3.160 -15.404 1.00 32.32 C ATOM 1169 CG LYS A 72 5.600 -3.416 -16.276 1.00 64.52 C ATOM 1170 CD LYS A 72 4.312 -3.592 -15.434 1.00 50.53 C ATOM 1171 CE LYS A 72 4.410 -4.749 -14.426 1.00 43.20 C ATOM 1172 NZ LYS A 72 3.194 -4.854 -13.582 1.00 71.04 N ATOM 0 H LYS A 72 9.148 -2.117 -14.534 1.00 23.33 H new ATOM 0 HA LYS A 72 8.304 -3.743 -16.881 1.00 74.21 H new ATOM 0 HB2 LYS A 72 7.012 -4.021 -14.753 1.00 32.32 H new ATOM 0 HB3 LYS A 72 6.665 -2.303 -14.758 1.00 32.32 H new ATOM 0 HG2 LYS A 72 5.467 -2.583 -16.966 1.00 64.52 H new ATOM 0 HG3 LYS A 72 5.759 -4.309 -16.881 1.00 64.52 H new ATOM 0 HD2 LYS A 72 4.105 -2.666 -14.898 1.00 50.53 H new ATOM 0 HD3 LYS A 72 3.469 -3.769 -16.102 1.00 50.53 H new ATOM 0 HE2 LYS A 72 4.561 -5.686 -14.963 1.00 43.20 H new ATOM 0 HE3 LYS A 72 5.282 -4.602 -13.789 1.00 43.20 H new ATOM 0 HZ1 LYS A 72 3.301 -5.646 -12.916 1.00 71.04 H new ATOM 0 HZ2 LYS A 72 3.063 -3.970 -13.050 1.00 71.04 H new ATOM 0 HZ3 LYS A 72 2.365 -5.020 -14.187 1.00 71.04 H new ATOM 1186 N SER A 73 8.489 -1.689 -18.305 1.00 60.32 N ATOM 1187 CA SER A 73 8.413 -0.579 -19.262 1.00 61.25 C ATOM 1188 C SER A 73 7.026 -0.589 -19.953 1.00 33.21 C ATOM 1189 O SER A 73 6.908 -0.819 -21.162 1.00 11.33 O ATOM 1190 CB SER A 73 9.593 -0.697 -20.272 1.00 72.42 C ATOM 1191 OG SER A 73 9.656 0.412 -21.157 1.00 54.12 O ATOM 0 H SER A 73 8.912 -2.532 -18.694 1.00 60.32 H new ATOM 0 HA SER A 73 8.511 0.381 -18.756 1.00 61.25 H new ATOM 0 HB2 SER A 73 10.532 -0.775 -19.724 1.00 72.42 H new ATOM 0 HB3 SER A 73 9.484 -1.615 -20.850 1.00 72.42 H new ATOM 0 HG SER A 73 10.411 0.298 -21.772 1.00 54.12 H new ATOM 1197 N LEU A 74 5.972 -0.372 -19.144 1.00 54.04 N ATOM 1198 CA LEU A 74 4.574 -0.351 -19.612 1.00 63.22 C ATOM 1199 C LEU A 74 4.272 1.059 -20.148 1.00 2.21 C ATOM 1200 O LEU A 74 4.289 2.024 -19.375 1.00 1.31 O ATOM 1201 CB LEU A 74 3.633 -0.755 -18.417 1.00 24.04 C ATOM 1202 CG LEU A 74 2.130 -1.140 -18.710 1.00 51.10 C ATOM 1203 CD1 LEU A 74 1.249 0.063 -19.120 1.00 33.11 C ATOM 1204 CD2 LEU A 74 2.027 -2.281 -19.750 1.00 25.30 C ATOM 0 H LEU A 74 6.067 -0.205 -18.142 1.00 54.04 H new ATOM 0 HA LEU A 74 4.404 -1.065 -20.418 1.00 63.22 H new ATOM 0 HB2 LEU A 74 4.095 -1.602 -17.909 1.00 24.04 H new ATOM 0 HB3 LEU A 74 3.626 0.075 -17.711 1.00 24.04 H new ATOM 0 HG LEU A 74 1.732 -1.499 -17.761 1.00 51.10 H new ATOM 0 HD11 LEU A 74 0.231 -0.278 -19.305 1.00 33.11 H new ATOM 0 HD12 LEU A 74 1.244 0.801 -18.318 1.00 33.11 H new ATOM 0 HD13 LEU A 74 1.650 0.516 -20.027 1.00 33.11 H new ATOM 0 HD21 LEU A 74 0.978 -2.519 -19.926 1.00 25.30 H new ATOM 0 HD22 LEU A 74 2.489 -1.964 -20.685 1.00 25.30 H new ATOM 0 HD23 LEU A 74 2.541 -3.165 -19.372 1.00 25.30 H new ATOM 1216 N SER A 75 4.041 1.173 -21.467 1.00 13.41 N ATOM 1217 CA SER A 75 3.682 2.445 -22.112 1.00 51.11 C ATOM 1218 C SER A 75 2.199 2.786 -21.841 1.00 71.24 C ATOM 1219 O SER A 75 1.308 2.481 -22.648 1.00 13.34 O ATOM 1220 CB SER A 75 3.977 2.373 -23.631 1.00 41.21 C ATOM 1221 OG SER A 75 5.312 1.947 -23.885 1.00 13.01 O ATOM 0 H SER A 75 4.098 0.387 -22.114 1.00 13.41 H new ATOM 0 HA SER A 75 4.289 3.244 -21.688 1.00 51.11 H new ATOM 0 HB2 SER A 75 3.278 1.685 -24.106 1.00 41.21 H new ATOM 0 HB3 SER A 75 3.815 3.353 -24.081 1.00 41.21 H new ATOM 0 HG SER A 75 5.465 1.910 -24.852 1.00 13.01 H new ATOM 1227 N SER A 76 1.941 3.354 -20.653 1.00 43.31 N ATOM 1228 CA SER A 76 0.603 3.792 -20.244 1.00 3.43 C ATOM 1229 C SER A 76 0.315 5.169 -20.868 1.00 73.13 C ATOM 1230 O SER A 76 1.017 6.152 -20.588 1.00 60.12 O ATOM 1231 CB SER A 76 0.505 3.847 -18.707 1.00 71.52 C ATOM 1232 OG SER A 76 -0.802 4.209 -18.284 1.00 64.14 O ATOM 0 H SER A 76 2.659 3.522 -19.948 1.00 43.31 H new ATOM 0 HA SER A 76 -0.143 3.080 -20.597 1.00 3.43 H new ATOM 0 HB2 SER A 76 0.768 2.875 -18.289 1.00 71.52 H new ATOM 0 HB3 SER A 76 1.227 4.567 -18.320 1.00 71.52 H new ATOM 0 HG SER A 76 -0.834 4.234 -17.305 1.00 64.14 H new ATOM 1238 N THR A 77 -0.697 5.217 -21.741 1.00 34.40 N ATOM 1239 CA THR A 77 -1.057 6.421 -22.504 1.00 35.33 C ATOM 1240 C THR A 77 -2.184 7.205 -21.786 1.00 34.32 C ATOM 1241 O THR A 77 -3.137 6.587 -21.294 1.00 5.12 O ATOM 1242 CB THR A 77 -1.495 6.005 -23.947 1.00 52.21 C ATOM 1243 OG1 THR A 77 -2.574 5.051 -23.888 1.00 1.50 O ATOM 1244 CG2 THR A 77 -0.324 5.395 -24.744 1.00 62.43 C ATOM 0 H THR A 77 -1.295 4.415 -21.941 1.00 34.40 H new ATOM 0 HA THR A 77 -0.191 7.079 -22.572 1.00 35.33 H new ATOM 0 HB THR A 77 -1.827 6.909 -24.457 1.00 52.21 H new ATOM 0 HG1 THR A 77 -2.839 4.801 -24.798 1.00 1.50 H new ATOM 0 HG21 THR A 77 -0.667 5.119 -25.741 1.00 62.43 H new ATOM 0 HG22 THR A 77 0.480 6.127 -24.827 1.00 62.43 H new ATOM 0 HG23 THR A 77 0.044 4.508 -24.228 1.00 62.43 H new ATOM 1252 N PRO A 78 -2.105 8.577 -21.711 1.00 55.34 N ATOM 1253 CA PRO A 78 -3.139 9.401 -21.031 1.00 4.00 C ATOM 1254 C PRO A 78 -4.442 9.535 -21.851 1.00 31.21 C ATOM 1255 O PRO A 78 -4.500 9.173 -23.035 1.00 73.21 O ATOM 1256 CB PRO A 78 -2.431 10.764 -20.861 1.00 50.22 C ATOM 1257 CG PRO A 78 -1.510 10.847 -22.041 1.00 42.23 C ATOM 1258 CD PRO A 78 -1.011 9.435 -22.265 1.00 74.43 C ATOM 0 HA PRO A 78 -3.471 8.958 -20.092 1.00 4.00 H new ATOM 0 HB2 PRO A 78 -3.146 11.587 -20.855 1.00 50.22 H new ATOM 0 HB3 PRO A 78 -1.881 10.813 -19.921 1.00 50.22 H new ATOM 0 HG2 PRO A 78 -2.032 11.223 -22.921 1.00 42.23 H new ATOM 0 HG3 PRO A 78 -0.683 11.529 -21.846 1.00 42.23 H new ATOM 0 HD2 PRO A 78 -0.842 9.234 -23.323 1.00 74.43 H new ATOM 0 HD3 PRO A 78 -0.066 9.259 -21.752 1.00 74.43 H new ATOM 1266 N GLN A 79 -5.470 10.090 -21.205 1.00 73.15 N ATOM 1267 CA GLN A 79 -6.816 10.252 -21.779 1.00 11.13 C ATOM 1268 C GLN A 79 -7.144 11.752 -21.895 1.00 43.01 C ATOM 1269 O GLN A 79 -6.674 12.556 -21.081 1.00 32.32 O ATOM 1270 CB GLN A 79 -7.873 9.500 -20.910 1.00 41.42 C ATOM 1271 CG GLN A 79 -8.124 10.050 -19.476 1.00 71.13 C ATOM 1272 CD GLN A 79 -6.934 9.902 -18.514 1.00 40.02 C ATOM 1273 OE1 GLN A 79 -6.076 10.782 -18.416 1.00 14.21 O ATOM 1274 NE2 GLN A 79 -6.870 8.794 -17.802 1.00 75.43 N ATOM 0 H GLN A 79 -5.394 10.447 -20.252 1.00 73.15 H new ATOM 0 HA GLN A 79 -6.844 9.814 -22.777 1.00 11.13 H new ATOM 0 HB2 GLN A 79 -8.821 9.508 -21.447 1.00 41.42 H new ATOM 0 HB3 GLN A 79 -7.563 8.458 -20.825 1.00 41.42 H new ATOM 0 HG2 GLN A 79 -8.387 11.105 -19.547 1.00 71.13 H new ATOM 0 HG3 GLN A 79 -8.985 9.535 -19.049 1.00 71.13 H new ATOM 0 HE21 GLN A 79 -7.593 8.081 -17.902 1.00 75.43 H new ATOM 0 HE22 GLN A 79 -6.098 8.650 -17.152 1.00 75.43 H new ATOM 1283 N ALA A 80 -7.923 12.118 -22.927 1.00 51.41 N ATOM 1284 CA ALA A 80 -8.337 13.511 -23.186 1.00 62.04 C ATOM 1285 C ALA A 80 -9.443 13.965 -22.197 1.00 54.05 C ATOM 1286 O ALA A 80 -10.561 13.442 -22.266 1.00 20.41 O ATOM 1287 CB ALA A 80 -8.833 13.636 -24.633 1.00 41.14 C ATOM 0 H ALA A 80 -8.286 11.453 -23.610 1.00 51.41 H new ATOM 0 HA ALA A 80 -7.475 14.161 -23.038 1.00 62.04 H new ATOM 0 HB1 ALA A 80 -9.139 14.664 -24.825 1.00 41.14 H new ATOM 0 HB2 ALA A 80 -8.030 13.362 -25.318 1.00 41.14 H new ATOM 0 HB3 ALA A 80 -9.683 12.970 -24.785 1.00 41.14 H new ATOM 1293 N PRO A 81 -9.155 14.914 -21.248 1.00 52.12 N ATOM 1294 CA PRO A 81 -10.186 15.439 -20.317 1.00 1.33 C ATOM 1295 C PRO A 81 -11.120 16.485 -20.991 1.00 14.11 C ATOM 1296 O PRO A 81 -10.686 17.208 -21.900 1.00 22.13 O ATOM 1297 CB PRO A 81 -9.335 16.051 -19.177 1.00 43.33 C ATOM 1298 CG PRO A 81 -8.063 16.503 -19.836 1.00 4.24 C ATOM 1299 CD PRO A 81 -7.814 15.534 -20.986 1.00 22.20 C ATOM 0 HA PRO A 81 -10.878 14.672 -19.969 1.00 1.33 H new ATOM 0 HB2 PRO A 81 -9.852 16.886 -18.704 1.00 43.33 H new ATOM 0 HB3 PRO A 81 -9.135 15.317 -18.397 1.00 43.33 H new ATOM 0 HG2 PRO A 81 -8.156 17.526 -20.202 1.00 4.24 H new ATOM 0 HG3 PRO A 81 -7.233 16.491 -19.130 1.00 4.24 H new ATOM 0 HD2 PRO A 81 -7.437 16.052 -21.868 1.00 22.20 H new ATOM 0 HD3 PRO A 81 -7.073 14.781 -20.718 1.00 22.20 H new ATOM 1307 N VAL A 82 -12.386 16.546 -20.501 1.00 22.53 N ATOM 1308 CA VAL A 82 -13.478 17.439 -20.986 1.00 44.31 C ATOM 1309 C VAL A 82 -13.539 17.587 -22.540 1.00 42.41 C ATOM 1310 O VAL A 82 -13.006 18.533 -23.130 1.00 11.35 O ATOM 1311 CB VAL A 82 -13.520 18.836 -20.226 1.00 65.03 C ATOM 1312 CG1 VAL A 82 -12.217 19.669 -20.358 1.00 4.20 C ATOM 1313 CG2 VAL A 82 -14.763 19.664 -20.640 1.00 54.25 C ATOM 0 H VAL A 82 -12.688 15.953 -19.728 1.00 22.53 H new ATOM 0 HA VAL A 82 -14.400 16.921 -20.721 1.00 44.31 H new ATOM 0 HB VAL A 82 -13.601 18.590 -19.167 1.00 65.03 H new ATOM 0 HG11 VAL A 82 -12.327 20.606 -19.812 1.00 4.20 H new ATOM 0 HG12 VAL A 82 -11.381 19.105 -19.945 1.00 4.20 H new ATOM 0 HG13 VAL A 82 -12.026 19.882 -21.410 1.00 4.20 H new ATOM 0 HG21 VAL A 82 -14.763 20.613 -20.104 1.00 54.25 H new ATOM 0 HG22 VAL A 82 -14.733 19.854 -21.713 1.00 54.25 H new ATOM 0 HG23 VAL A 82 -15.668 19.109 -20.395 1.00 54.25 H new ATOM 1323 N SER A 83 -14.170 16.601 -23.187 1.00 54.33 N ATOM 1324 CA SER A 83 -14.420 16.605 -24.637 1.00 74.21 C ATOM 1325 C SER A 83 -15.731 17.368 -24.915 1.00 22.45 C ATOM 1326 O SER A 83 -16.823 16.792 -24.794 1.00 4.45 O ATOM 1327 CB SER A 83 -14.489 15.144 -25.147 1.00 12.41 C ATOM 1328 OG SER A 83 -14.755 15.064 -26.533 1.00 74.44 O ATOM 0 H SER A 83 -14.526 15.769 -22.717 1.00 54.33 H new ATOM 0 HA SER A 83 -13.612 17.108 -25.168 1.00 74.21 H new ATOM 0 HB2 SER A 83 -13.545 14.643 -24.933 1.00 12.41 H new ATOM 0 HB3 SER A 83 -15.265 14.609 -24.600 1.00 12.41 H new ATOM 0 HG SER A 83 -14.787 14.123 -26.806 1.00 74.44 H new ATOM 1334 N LYS A 84 -15.617 18.679 -25.232 1.00 74.42 N ATOM 1335 CA LYS A 84 -16.783 19.586 -25.341 1.00 33.34 C ATOM 1336 C LYS A 84 -16.405 20.902 -26.063 1.00 51.34 C ATOM 1337 O LYS A 84 -15.264 21.359 -25.977 1.00 14.30 O ATOM 1338 CB LYS A 84 -17.327 19.901 -23.917 1.00 11.52 C ATOM 1339 CG LYS A 84 -18.584 20.805 -23.869 1.00 32.03 C ATOM 1340 CD LYS A 84 -18.976 21.186 -22.424 1.00 43.40 C ATOM 1341 CE LYS A 84 -19.302 19.962 -21.546 1.00 72.34 C ATOM 1342 NZ LYS A 84 -19.669 20.359 -20.163 1.00 64.44 N ATOM 0 H LYS A 84 -14.723 19.134 -25.418 1.00 74.42 H new ATOM 0 HA LYS A 84 -17.553 19.089 -25.931 1.00 33.34 H new ATOM 0 HB2 LYS A 84 -17.559 18.960 -23.419 1.00 11.52 H new ATOM 0 HB3 LYS A 84 -16.534 20.379 -23.342 1.00 11.52 H new ATOM 0 HG2 LYS A 84 -18.399 21.712 -24.444 1.00 32.03 H new ATOM 0 HG3 LYS A 84 -19.418 20.290 -24.346 1.00 32.03 H new ATOM 0 HD2 LYS A 84 -18.160 21.746 -21.968 1.00 43.40 H new ATOM 0 HD3 LYS A 84 -19.842 21.848 -22.451 1.00 43.40 H new ATOM 0 HE2 LYS A 84 -20.123 19.402 -21.994 1.00 72.34 H new ATOM 0 HE3 LYS A 84 -18.440 19.296 -21.516 1.00 72.34 H new ATOM 0 HZ1 LYS A 84 -19.881 19.509 -19.603 1.00 64.44 H new ATOM 0 HZ2 LYS A 84 -18.876 20.872 -19.727 1.00 64.44 H new ATOM 0 HZ3 LYS A 84 -20.507 20.975 -20.189 1.00 64.44 H new ATOM 1356 N ARG A 85 -17.397 21.488 -26.759 1.00 1.14 N ATOM 1357 CA ARG A 85 -17.315 22.825 -27.394 1.00 42.00 C ATOM 1358 C ARG A 85 -18.621 23.591 -27.114 1.00 30.25 C ATOM 1359 O ARG A 85 -19.659 22.977 -26.809 1.00 30.43 O ATOM 1360 CB ARG A 85 -17.079 22.716 -28.934 1.00 15.30 C ATOM 1361 CG ARG A 85 -18.133 21.873 -29.708 1.00 30.12 C ATOM 1362 CD ARG A 85 -17.966 21.931 -31.240 1.00 51.42 C ATOM 1363 NE ARG A 85 -18.245 23.274 -31.790 1.00 32.42 N ATOM 1364 CZ ARG A 85 -18.844 23.528 -32.970 1.00 52.42 C ATOM 1365 NH1 ARG A 85 -19.250 22.538 -33.774 1.00 60.43 N ATOM 1366 NH2 ARG A 85 -19.026 24.786 -33.344 1.00 0.13 N ATOM 0 H ARG A 85 -18.301 21.038 -26.901 1.00 1.14 H new ATOM 0 HA ARG A 85 -16.466 23.360 -26.970 1.00 42.00 H new ATOM 0 HB2 ARG A 85 -17.061 23.721 -29.355 1.00 15.30 H new ATOM 0 HB3 ARG A 85 -16.094 22.282 -29.105 1.00 15.30 H new ATOM 0 HG2 ARG A 85 -18.066 20.835 -29.383 1.00 30.12 H new ATOM 0 HG3 ARG A 85 -19.131 22.225 -29.446 1.00 30.12 H new ATOM 0 HD2 ARG A 85 -16.949 21.639 -31.503 1.00 51.42 H new ATOM 0 HD3 ARG A 85 -18.636 21.206 -31.703 1.00 51.42 H new ATOM 0 HE ARG A 85 -17.960 24.077 -31.229 1.00 32.42 H new ATOM 0 HH11 ARG A 85 -19.108 21.566 -33.498 1.00 60.43 H new ATOM 0 HH12 ARG A 85 -19.701 22.755 -34.663 1.00 60.43 H new ATOM 0 HH21 ARG A 85 -18.714 25.547 -32.741 1.00 0.13 H new ATOM 0 HH22 ARG A 85 -19.478 24.993 -34.235 1.00 0.13 H new ATOM 1380 N ARG A 86 -18.567 24.931 -27.208 1.00 31.53 N ATOM 1381 CA ARG A 86 -19.767 25.782 -27.103 1.00 10.52 C ATOM 1382 C ARG A 86 -20.492 25.781 -28.462 1.00 3.44 C ATOM 1383 O ARG A 86 -20.214 26.611 -29.338 1.00 0.14 O ATOM 1384 CB ARG A 86 -19.403 27.227 -26.656 1.00 53.24 C ATOM 1385 CG ARG A 86 -20.623 28.144 -26.358 1.00 62.32 C ATOM 1386 CD ARG A 86 -20.216 29.608 -26.100 1.00 34.45 C ATOM 1387 NE ARG A 86 -19.563 30.204 -27.272 1.00 63.12 N ATOM 1388 CZ ARG A 86 -19.038 31.441 -27.338 1.00 51.41 C ATOM 1389 NH1 ARG A 86 -19.074 32.270 -26.288 1.00 24.34 N ATOM 1390 NH2 ARG A 86 -18.473 31.838 -28.468 1.00 4.31 N ATOM 0 H ARG A 86 -17.702 25.450 -27.357 1.00 31.53 H new ATOM 0 HA ARG A 86 -20.430 25.379 -26.338 1.00 10.52 H new ATOM 0 HB2 ARG A 86 -18.782 27.170 -25.762 1.00 53.24 H new ATOM 0 HB3 ARG A 86 -18.799 27.692 -27.435 1.00 53.24 H new ATOM 0 HG2 ARG A 86 -21.315 28.106 -27.199 1.00 62.32 H new ATOM 0 HG3 ARG A 86 -21.157 27.761 -25.488 1.00 62.32 H new ATOM 0 HD2 ARG A 86 -21.099 30.191 -25.840 1.00 34.45 H new ATOM 0 HD3 ARG A 86 -19.541 29.653 -25.245 1.00 34.45 H new ATOM 0 HE ARG A 86 -19.502 29.628 -28.112 1.00 63.12 H new ATOM 0 HH11 ARG A 86 -19.506 31.968 -25.415 1.00 24.34 H new ATOM 0 HH12 ARG A 86 -18.670 33.204 -26.361 1.00 24.34 H new ATOM 0 HH21 ARG A 86 -18.441 31.209 -29.271 1.00 4.31 H new ATOM 0 HH22 ARG A 86 -18.070 32.773 -28.536 1.00 4.31 H new ATOM 1404 N ALA A 87 -21.380 24.796 -28.642 1.00 72.53 N ATOM 1405 CA ALA A 87 -22.145 24.608 -29.883 1.00 42.30 C ATOM 1406 C ALA A 87 -23.417 25.481 -29.861 1.00 73.23 C ATOM 1407 O ALA A 87 -24.550 24.978 -29.820 1.00 62.14 O ATOM 1408 CB ALA A 87 -22.459 23.109 -30.074 1.00 62.21 C ATOM 0 H ALA A 87 -21.590 24.101 -27.926 1.00 72.53 H new ATOM 0 HA ALA A 87 -21.554 24.932 -30.740 1.00 42.30 H new ATOM 0 HB1 ALA A 87 -23.026 22.970 -30.994 1.00 62.21 H new ATOM 0 HB2 ALA A 87 -21.527 22.547 -30.134 1.00 62.21 H new ATOM 0 HB3 ALA A 87 -23.046 22.750 -29.229 1.00 62.21 H new ATOM 1414 N ALA A 88 -23.194 26.806 -29.872 1.00 64.52 N ATOM 1415 CA ALA A 88 -24.255 27.820 -29.770 1.00 64.14 C ATOM 1416 C ALA A 88 -23.736 29.167 -30.320 1.00 65.25 C ATOM 1417 O ALA A 88 -24.238 29.643 -31.362 1.00 54.13 O ATOM 1418 CB ALA A 88 -24.729 27.976 -28.312 1.00 2.20 C ATOM 1419 OXT ALA A 88 -22.793 29.726 -29.723 1.00 37.67 O ATOM 0 H ALA A 88 -22.260 27.207 -29.953 1.00 64.52 H new ATOM 0 HA ALA A 88 -25.110 27.496 -30.364 1.00 64.14 H new ATOM 0 HB1 ALA A 88 -25.513 28.731 -28.263 1.00 2.20 H new ATOM 0 HB2 ALA A 88 -25.119 27.024 -27.952 1.00 2.20 H new ATOM 0 HB3 ALA A 88 -23.890 28.283 -27.688 1.00 2.20 H new TER 1425 ALA A 88