USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 936 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 120 ASN : amide:sc= -1.16 K(o=-0.84,f=-3.8) USER MOD Set 1.2: A 121 SER OG : rot -13:sc= 0.318 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -2.35 X(o=-2.4,f=-2.5!) USER MOD Set 2.2: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 86 TYR OH : rot 79:sc= 0.316 USER MOD Set 3.2: A 144 HIS : no HD1:sc= 0.295 K(o=0.61,f=-0.0041) USER MOD Set 4.1: A 83 HIS : no HD1:sc= 0.734 K(o=1.4,f=-3.2) USER MOD Set 4.2: A 145 ASN :FLIP amide:sc= 0.656 F(o=-2,f=1.4) USER MOD Set 5.1: A 61 GLN : amide:sc= 0.386 X(o=0.39,f=-0.022) USER MOD Set 5.2: A 135 TYR OH : rot 150:sc= 0 USER MOD Set 6.1: A 16 GLN :FLIP amide:sc= -2.22 F(o=-5!,f=-3.9) USER MOD Set 6.2: A 36 HIS : no HD1:sc= -1.73 X(o=-3.9,f=-4.4) USER MOD Single : A 1 CYS N :NH3+ 161:sc= 0.338 (180deg=0.0898) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 11 THR OG1 : rot -60:sc= 1.04 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -161:sc= 0 (180deg=-0.532) USER MOD Single : A 18 SER OG : rot 26:sc= 0.241 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -2:sc= 1.14 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.21) USER MOD Single : A 43 GLN : amide:sc= -0.295 K(o=-0.3,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -3.04! F(o=-3.6,f=-3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 52 GLN : amide:sc= -2.21 K(o=-2.2,f=-3.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -25:sc= 0.39 USER MOD Single : A 67 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -100:sc= -0.52 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.94 K(o=-2.9,f=-3.6!) USER MOD Single : A 85 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.7!) USER MOD Single : A 89 SER OG : rot 180:sc= -1.97! USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0339 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 57:sc= 0.256 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.028) USER MOD Single : A 116 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.46) USER MOD Single : A 119 ASN :FLIP amide:sc= -1.77 F(o=-3.1!,f=-1.8) USER MOD Single : A 122 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-2.2) USER MOD Single : A 123 LYS NZ :NH3+ -155:sc=-0.000515 (180deg=-0.692) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -2.36! C(o=-2.4!,f=-6.7!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 158:sc= -0.572 (180deg=-0.913) USER MOD Single : A 142 SER OG : rot 180:sc= -0.552 USER MOD Single : A 148 THR OG1 : rot 180:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.151 15.468 -14.411 1.00 51.22 N ATOM 75 CA CYS A 1 3.088 14.769 -13.133 1.00 54.31 C ATOM 76 C CYS A 1 3.288 13.268 -13.323 1.00 2.51 C ATOM 77 O CYS A 1 3.669 12.814 -14.403 1.00 12.35 O ATOM 78 CB CYS A 1 1.746 15.033 -12.448 1.00 45.44 C ATOM 79 SG CYS A 1 1.326 16.799 -12.293 1.00 65.50 S ATOM 0 H1 CYS A 1 2.706 16.403 -14.317 1.00 51.22 H new ATOM 0 H2 CYS A 1 4.145 15.584 -14.694 1.00 51.22 H new ATOM 0 H3 CYS A 1 2.647 14.916 -15.134 1.00 51.22 H new ATOM 0 HA CYS A 1 3.891 15.148 -12.501 1.00 54.31 H new ATOM 0 HB2 CYS A 1 0.958 14.531 -13.010 1.00 45.44 H new ATOM 0 HB3 CYS A 1 1.763 14.586 -11.454 1.00 45.44 H new ATOM 83 N SER A 2 3.028 12.504 -12.268 1.00 21.30 N ATOM 84 CA SER A 2 3.182 11.055 -12.317 1.00 44.30 C ATOM 85 C SER A 2 4.642 10.671 -12.547 1.00 64.15 C ATOM 86 O SER A 2 4.983 10.077 -13.569 1.00 30.25 O ATOM 87 CB SER A 2 2.307 10.464 -13.425 1.00 12.40 C ATOM 88 OG SER A 2 1.137 11.240 -13.617 1.00 43.32 O ATOM 0 H SER A 2 2.710 12.864 -11.368 1.00 21.30 H new ATOM 0 HA SER A 2 2.864 10.648 -11.357 1.00 44.30 H new ATOM 0 HB2 SER A 2 2.874 10.418 -14.355 1.00 12.40 H new ATOM 0 HB3 SER A 2 2.031 9.441 -13.169 1.00 12.40 H new ATOM 0 HG SER A 2 0.595 10.844 -14.331 1.00 43.32 H new ATOM 93 N GLU A 3 5.495 11.017 -11.590 1.00 14.14 N ATOM 94 CA GLU A 3 6.918 10.710 -11.688 1.00 60.33 C ATOM 95 C GLU A 3 7.347 9.758 -10.575 1.00 15.42 C ATOM 96 O GLU A 3 6.747 9.707 -9.501 1.00 51.43 O ATOM 97 CB GLU A 3 7.745 11.995 -11.622 1.00 2.41 C ATOM 98 CG GLU A 3 7.176 13.129 -12.458 1.00 50.12 C ATOM 99 CD GLU A 3 7.204 12.829 -13.945 1.00 71.42 C ATOM 100 OE1 GLU A 3 7.784 11.794 -14.331 1.00 11.54 O ATOM 101 OE2 GLU A 3 6.643 13.631 -14.722 1.00 35.43 O ATOM 0 H GLU A 3 5.227 11.510 -10.738 1.00 14.14 H new ATOM 0 HA GLU A 3 7.093 10.223 -12.647 1.00 60.33 H new ATOM 0 HB2 GLU A 3 7.814 12.320 -10.584 1.00 2.41 H new ATOM 0 HB3 GLU A 3 8.760 11.781 -11.957 1.00 2.41 H new ATOM 0 HG2 GLU A 3 6.149 13.323 -12.150 1.00 50.12 H new ATOM 0 HG3 GLU A 3 7.744 14.039 -12.264 1.00 50.12 H new ATOM 106 N PRO A 4 8.412 8.985 -10.836 1.00 61.22 N ATOM 107 CA PRO A 4 8.945 8.021 -9.870 1.00 11.22 C ATOM 108 C PRO A 4 9.610 8.702 -8.678 1.00 51.13 C ATOM 109 O PRO A 4 9.538 9.922 -8.528 1.00 15.20 O ATOM 110 CB PRO A 4 9.980 7.239 -10.684 1.00 61.32 C ATOM 111 CG PRO A 4 10.393 8.173 -11.768 1.00 51.11 C ATOM 112 CD PRO A 4 9.176 8.992 -12.095 1.00 74.12 C ATOM 0 HA PRO A 4 8.160 7.398 -9.441 1.00 11.22 H new ATOM 0 HB2 PRO A 4 10.830 6.947 -10.068 1.00 61.32 H new ATOM 0 HB3 PRO A 4 9.553 6.323 -11.092 1.00 61.32 H new ATOM 0 HG2 PRO A 4 11.216 8.810 -11.442 1.00 51.11 H new ATOM 0 HG3 PRO A 4 10.741 7.625 -12.643 1.00 51.11 H new ATOM 0 HD2 PRO A 4 9.443 10.005 -12.398 1.00 74.12 H new ATOM 0 HD3 PRO A 4 8.605 8.554 -12.914 1.00 74.12 H new ATOM 117 N LEU A 5 10.257 7.907 -7.834 1.00 14.24 N ATOM 118 CA LEU A 5 10.935 8.433 -6.654 1.00 0.33 C ATOM 119 C LEU A 5 12.431 8.137 -6.709 1.00 52.31 C ATOM 120 O LEU A 5 13.213 8.694 -5.939 1.00 12.31 O ATOM 121 CB LEU A 5 10.331 7.833 -5.383 1.00 11.32 C ATOM 122 CG LEU A 5 9.864 6.381 -5.483 1.00 41.13 C ATOM 123 CD1 LEU A 5 10.998 5.486 -5.959 1.00 33.12 C ATOM 124 CD2 LEU A 5 9.328 5.899 -4.143 1.00 54.31 C ATOM 0 H LEU A 5 10.327 6.895 -7.944 1.00 14.24 H new ATOM 0 HA LEU A 5 10.797 9.514 -6.638 1.00 0.33 H new ATOM 0 HB2 LEU A 5 11.071 7.902 -4.586 1.00 11.32 H new ATOM 0 HB3 LEU A 5 9.482 8.447 -5.083 1.00 11.32 H new ATOM 0 HG LEU A 5 9.057 6.329 -6.214 1.00 41.13 H new ATOM 0 HD11 LEU A 5 10.646 4.456 -6.024 1.00 33.12 H new ATOM 0 HD12 LEU A 5 11.335 5.817 -6.941 1.00 33.12 H new ATOM 0 HD13 LEU A 5 11.827 5.542 -5.253 1.00 33.12 H new ATOM 0 HD21 LEU A 5 9.000 4.863 -4.233 1.00 54.31 H new ATOM 0 HD22 LEU A 5 10.114 5.966 -3.391 1.00 54.31 H new ATOM 0 HD23 LEU A 5 8.485 6.521 -3.843 1.00 54.31 H new ATOM 135 N GLY A 6 12.823 7.259 -7.627 1.00 61.51 N ATOM 136 CA GLY A 6 14.223 6.905 -7.766 1.00 41.20 C ATOM 137 C GLY A 6 14.492 6.086 -9.013 1.00 11.34 C ATOM 138 O GLY A 6 15.201 5.079 -8.962 1.00 71.34 O ATOM 0 H GLY A 6 12.195 6.786 -8.277 1.00 61.51 H new ATOM 0 HA2 GLY A 6 14.823 7.814 -7.795 1.00 41.20 H new ATOM 0 HA3 GLY A 6 14.541 6.341 -6.889 1.00 41.20 H new ATOM 142 N LEU A 7 13.927 6.516 -10.135 1.00 33.21 N ATOM 143 CA LEU A 7 14.109 5.814 -11.401 1.00 72.30 C ATOM 144 C LEU A 7 14.666 6.752 -12.468 1.00 63.22 C ATOM 145 O LEU A 7 14.939 6.336 -13.594 1.00 64.11 O ATOM 146 CB LEU A 7 12.781 5.218 -11.872 1.00 23.12 C ATOM 147 CG LEU A 7 11.952 4.502 -10.806 1.00 25.40 C ATOM 148 CD1 LEU A 7 10.637 4.010 -11.392 1.00 53.31 C ATOM 149 CD2 LEU A 7 12.738 3.343 -10.209 1.00 60.33 C ATOM 0 H LEU A 7 13.339 7.347 -10.195 1.00 33.21 H new ATOM 0 HA LEU A 7 14.825 5.008 -11.242 1.00 72.30 H new ATOM 0 HB2 LEU A 7 12.176 6.019 -12.297 1.00 23.12 H new ATOM 0 HB3 LEU A 7 12.987 4.513 -12.678 1.00 23.12 H new ATOM 0 HG LEU A 7 11.728 5.212 -10.010 1.00 25.40 H new ATOM 0 HD11 LEU A 7 10.061 3.503 -10.618 1.00 53.31 H new ATOM 0 HD12 LEU A 7 10.068 4.859 -11.771 1.00 53.31 H new ATOM 0 HD13 LEU A 7 10.839 3.315 -12.207 1.00 53.31 H new ATOM 0 HD21 LEU A 7 12.133 2.845 -9.452 1.00 60.33 H new ATOM 0 HD22 LEU A 7 12.993 2.633 -10.996 1.00 60.33 H new ATOM 0 HD23 LEU A 7 13.652 3.721 -9.751 1.00 60.33 H new ATOM 160 N LYS A 8 14.832 8.019 -12.107 1.00 32.52 N ATOM 161 CA LYS A 8 15.359 9.016 -13.030 1.00 14.31 C ATOM 162 C LYS A 8 16.754 9.467 -12.607 1.00 35.00 C ATOM 163 O LYS A 8 17.753 9.068 -13.204 1.00 40.13 O ATOM 164 CB LYS A 8 14.421 10.223 -13.100 1.00 54.32 C ATOM 165 CG LYS A 8 14.999 11.400 -13.867 1.00 4.34 C ATOM 166 CD LYS A 8 14.038 11.895 -14.935 1.00 62.11 C ATOM 167 CE LYS A 8 14.574 13.136 -15.635 1.00 21.22 C ATOM 168 NZ LYS A 8 13.730 14.333 -15.363 1.00 2.02 N ATOM 0 H LYS A 8 14.609 8.380 -11.180 1.00 32.52 H new ATOM 0 HA LYS A 8 15.428 8.559 -14.017 1.00 14.31 H new ATOM 0 HB2 LYS A 8 13.486 9.919 -13.569 1.00 54.32 H new ATOM 0 HB3 LYS A 8 14.180 10.544 -12.087 1.00 54.32 H new ATOM 0 HG2 LYS A 8 15.224 12.211 -13.175 1.00 4.34 H new ATOM 0 HG3 LYS A 8 15.940 11.106 -14.331 1.00 4.34 H new ATOM 0 HD2 LYS A 8 13.870 11.106 -15.668 1.00 62.11 H new ATOM 0 HD3 LYS A 8 13.073 12.120 -14.481 1.00 62.11 H new ATOM 0 HE2 LYS A 8 15.594 13.328 -15.304 1.00 21.22 H new ATOM 0 HE3 LYS A 8 14.616 12.958 -16.709 1.00 21.22 H new ATOM 0 HZ1 LYS A 8 14.127 15.157 -15.857 1.00 2.02 H new ATOM 0 HZ2 LYS A 8 12.762 14.160 -15.702 1.00 2.02 H new ATOM 0 HZ3 LYS A 8 13.710 14.519 -14.340 1.00 2.02 H new ATOM 178 N ASN A 9 16.813 10.299 -11.572 1.00 31.32 N ATOM 179 CA ASN A 9 18.085 10.803 -11.069 1.00 55.21 C ATOM 180 C ASN A 9 18.254 10.472 -9.588 1.00 51.40 C ATOM 181 O ASN A 9 19.367 10.241 -9.117 1.00 71.40 O ATOM 182 CB ASN A 9 18.178 12.316 -11.278 1.00 1.11 C ATOM 183 CG ASN A 9 19.146 12.687 -12.385 1.00 52.24 C ATOM 184 OD1 ASN A 9 20.338 12.392 -12.307 1.00 53.11 O ATOM 185 ND2 ASN A 9 18.635 13.341 -13.423 1.00 23.41 N ATOM 0 H ASN A 9 15.995 10.638 -11.066 1.00 31.32 H new ATOM 0 HA ASN A 9 18.885 10.316 -11.626 1.00 55.21 H new ATOM 0 HB2 ASN A 9 17.190 12.709 -11.516 1.00 1.11 H new ATOM 0 HB3 ASN A 9 18.494 12.790 -10.349 1.00 1.11 H new ATOM 0 HD21 ASN A 9 19.238 13.619 -14.197 1.00 23.41 H new ATOM 0 HD22 ASN A 9 17.640 13.565 -13.445 1.00 23.41 H new ATOM 191 N ASN A 10 17.142 10.452 -8.862 1.00 60.14 N ATOM 192 CA ASN A 10 17.166 10.150 -7.436 1.00 31.32 C ATOM 193 C ASN A 10 17.773 8.773 -7.181 1.00 20.21 C ATOM 194 O ASN A 10 18.505 8.574 -6.212 1.00 15.34 O ATOM 195 CB ASN A 10 15.751 10.210 -6.856 1.00 50.51 C ATOM 196 CG ASN A 10 15.308 11.630 -6.559 1.00 51.51 C ATOM 197 OD1 ASN A 10 15.561 12.536 -7.496 1.00 44.45 O flip ATOM 198 ND2 ASN A 10 14.745 11.908 -5.500 1.00 74.33 N flip ATOM 0 H ASN A 10 16.213 10.641 -9.238 1.00 60.14 H new ATOM 0 HA ASN A 10 17.786 10.899 -6.943 1.00 31.32 H new ATOM 0 HB2 ASN A 10 15.054 9.754 -7.559 1.00 50.51 H new ATOM 0 HB3 ASN A 10 15.711 9.621 -5.940 1.00 50.51 H new ATOM 0 HD21 ASN A 10 14.571 11.179 -4.808 1.00 74.33 H new ATOM 0 HD22 ASN A 10 14.453 12.867 -5.314 1.00 74.33 H new ATOM 204 N THR A 11 17.464 7.825 -8.059 1.00 41.40 N ATOM 205 CA THR A 11 17.978 6.467 -7.932 1.00 35.21 C ATOM 206 C THR A 11 18.044 6.041 -6.469 1.00 22.14 C ATOM 207 O THR A 11 19.034 5.454 -6.029 1.00 41.14 O ATOM 208 CB THR A 11 19.379 6.335 -8.557 1.00 62.01 C ATOM 209 OG1 THR A 11 19.854 4.992 -8.416 1.00 23.31 O ATOM 210 CG2 THR A 11 20.358 7.296 -7.901 1.00 73.31 C ATOM 0 H THR A 11 16.859 7.973 -8.867 1.00 41.40 H new ATOM 0 HA THR A 11 17.288 5.816 -8.468 1.00 35.21 H new ATOM 0 HB THR A 11 19.305 6.584 -9.615 1.00 62.01 H new ATOM 0 HG1 THR A 11 19.900 4.759 -7.465 1.00 23.31 H new ATOM 0 HG21 THR A 11 21.340 7.184 -8.360 1.00 73.31 H new ATOM 0 HG22 THR A 11 20.009 8.320 -8.036 1.00 73.31 H new ATOM 0 HG23 THR A 11 20.427 7.074 -6.836 1.00 73.31 H new ATOM 218 N ILE A 12 16.987 6.338 -5.722 1.00 61.02 N ATOM 219 CA ILE A 12 16.925 5.983 -4.310 1.00 12.03 C ATOM 220 C ILE A 12 17.210 4.499 -4.103 1.00 11.32 C ATOM 221 O ILE A 12 16.673 3.636 -4.797 1.00 71.43 O ATOM 222 CB ILE A 12 15.550 6.320 -3.703 1.00 2.53 C ATOM 223 CG1 ILE A 12 15.230 7.803 -3.904 1.00 64.24 C ATOM 224 CG2 ILE A 12 15.521 5.962 -2.225 1.00 3.40 C ATOM 225 CD1 ILE A 12 16.265 8.731 -3.309 1.00 42.54 C ATOM 0 H ILE A 12 16.161 6.824 -6.071 1.00 61.02 H new ATOM 0 HA ILE A 12 17.690 6.572 -3.804 1.00 12.03 H new ATOM 0 HB ILE A 12 14.789 5.730 -4.214 1.00 2.53 H new ATOM 0 HG12 ILE A 12 15.143 8.006 -4.971 1.00 64.24 H new ATOM 0 HG13 ILE A 12 14.260 8.021 -3.458 1.00 64.24 H new ATOM 0 HG21 ILE A 12 14.543 6.206 -1.811 1.00 3.40 H new ATOM 0 HG22 ILE A 12 15.710 4.895 -2.105 1.00 3.40 H new ATOM 0 HG23 ILE A 12 16.290 6.528 -1.698 1.00 3.40 H new ATOM 0 HD11 ILE A 12 15.973 9.765 -3.489 1.00 42.54 H new ATOM 0 HD12 ILE A 12 16.336 8.556 -2.235 1.00 42.54 H new ATOM 0 HD13 ILE A 12 17.233 8.541 -3.773 1.00 42.54 H new ATOM 236 N PRO A 13 18.074 4.194 -3.124 1.00 21.03 N ATOM 237 CA PRO A 13 18.448 2.813 -2.801 1.00 15.24 C ATOM 238 C PRO A 13 17.302 2.036 -2.165 1.00 24.41 C ATOM 239 O PRO A 13 16.157 2.489 -2.164 1.00 74.12 O ATOM 240 CB PRO A 13 19.598 2.981 -1.804 1.00 54.43 C ATOM 241 CG PRO A 13 19.369 4.317 -1.184 1.00 14.12 C ATOM 242 CD PRO A 13 18.752 5.172 -2.257 1.00 10.23 C ATOM 0 HA PRO A 13 18.717 2.245 -3.691 1.00 15.24 H new ATOM 0 HB2 PRO A 13 19.591 2.190 -1.054 1.00 54.43 H new ATOM 0 HB3 PRO A 13 20.565 2.937 -2.304 1.00 54.43 H new ATOM 0 HG2 PRO A 13 18.709 4.238 -0.320 1.00 14.12 H new ATOM 0 HG3 PRO A 13 20.305 4.749 -0.831 1.00 14.12 H new ATOM 0 HD2 PRO A 13 18.050 5.895 -1.841 1.00 10.23 H new ATOM 0 HD3 PRO A 13 19.506 5.738 -2.803 1.00 10.23 H new ATOM 247 N ASP A 14 17.616 0.864 -1.624 1.00 64.01 N ATOM 248 CA ASP A 14 16.611 0.023 -0.983 1.00 13.54 C ATOM 249 C ASP A 14 16.422 0.421 0.478 1.00 25.20 C ATOM 250 O ASP A 14 16.463 -0.424 1.372 1.00 23.24 O ATOM 251 CB ASP A 14 17.013 -1.449 -1.076 1.00 31.34 C ATOM 252 CG ASP A 14 18.330 -1.735 -0.381 1.00 4.42 C ATOM 253 OD1 ASP A 14 19.387 -1.400 -0.955 1.00 55.24 O ATOM 254 OD2 ASP A 14 18.304 -2.296 0.734 1.00 61.22 O ATOM 0 H ASP A 14 18.559 0.474 -1.616 1.00 64.01 H new ATOM 0 HA ASP A 14 15.665 0.166 -1.505 1.00 13.54 H new ATOM 0 HB2 ASP A 14 16.230 -2.065 -0.633 1.00 31.34 H new ATOM 0 HB3 ASP A 14 17.089 -1.736 -2.125 1.00 31.34 H new ATOM 258 N SER A 15 16.215 1.713 0.712 1.00 21.53 N ATOM 259 CA SER A 15 16.024 2.223 2.064 1.00 34.32 C ATOM 260 C SER A 15 14.634 2.830 2.226 1.00 63.42 C ATOM 261 O SER A 15 14.138 2.982 3.342 1.00 43.03 O ATOM 262 CB SER A 15 17.090 3.271 2.392 1.00 2.04 C ATOM 263 OG SER A 15 17.071 3.607 3.769 1.00 65.43 O ATOM 0 H SER A 15 16.175 2.425 -0.017 1.00 21.53 H new ATOM 0 HA SER A 15 16.119 1.387 2.757 1.00 34.32 H new ATOM 0 HB2 SER A 15 18.075 2.889 2.122 1.00 2.04 H new ATOM 0 HB3 SER A 15 16.920 4.166 1.794 1.00 2.04 H new ATOM 0 HG SER A 15 17.762 4.277 3.952 1.00 65.43 H new ATOM 268 N GLN A 16 14.011 3.173 1.103 1.00 3.41 N ATOM 269 CA GLN A 16 12.678 3.763 1.118 1.00 31.23 C ATOM 270 C GLN A 16 11.638 2.746 1.576 1.00 61.21 C ATOM 271 O GLN A 16 10.787 3.047 2.413 1.00 3.42 O ATOM 272 CB GLN A 16 12.315 4.292 -0.269 1.00 41.34 C ATOM 273 CG GLN A 16 12.419 3.245 -1.367 1.00 32.21 C ATOM 274 CD GLN A 16 12.885 3.828 -2.687 1.00 2.13 C ATOM 275 OE1 GLN A 16 12.313 4.963 -3.068 1.00 73.12 O flip ATOM 276 NE2 GLN A 16 13.750 3.262 -3.357 1.00 51.14 N flip ATOM 0 H GLN A 16 14.408 3.052 0.171 1.00 3.41 H new ATOM 0 HA GLN A 16 12.684 4.593 1.825 1.00 31.23 H new ATOM 0 HB2 GLN A 16 11.297 4.681 -0.245 1.00 41.34 H new ATOM 0 HB3 GLN A 16 12.970 5.128 -0.513 1.00 41.34 H new ATOM 0 HG2 GLN A 16 13.112 2.464 -1.054 1.00 32.21 H new ATOM 0 HG3 GLN A 16 11.447 2.772 -1.506 1.00 32.21 H new ATOM 0 HE21 GLN A 16 14.163 2.390 -3.025 1.00 51.14 H new ATOM 0 HE22 GLN A 16 14.053 3.665 -4.244 1.00 51.14 H new ATOM 283 N MET A 17 11.713 1.540 1.020 1.00 31.41 N ATOM 284 CA MET A 17 10.777 0.478 1.372 1.00 33.13 C ATOM 285 C MET A 17 11.363 -0.426 2.453 1.00 41.14 C ATOM 286 O MET A 17 12.554 -0.739 2.435 1.00 74.42 O ATOM 287 CB MET A 17 10.423 -0.349 0.135 1.00 23.43 C ATOM 288 CG MET A 17 9.190 0.153 -0.598 1.00 22.23 C ATOM 289 SD MET A 17 9.134 -0.395 -2.316 1.00 71.45 S ATOM 290 CE MET A 17 8.617 -2.098 -2.111 1.00 53.15 C ATOM 0 H MET A 17 12.411 1.275 0.325 1.00 31.41 H new ATOM 0 HA MET A 17 9.870 0.940 1.762 1.00 33.13 H new ATOM 0 HB2 MET A 17 11.271 -0.344 -0.550 1.00 23.43 H new ATOM 0 HB3 MET A 17 10.261 -1.385 0.434 1.00 23.43 H new ATOM 0 HG2 MET A 17 8.297 -0.196 -0.080 1.00 22.23 H new ATOM 0 HG3 MET A 17 9.172 1.242 -0.567 1.00 22.23 H new ATOM 0 HE1 MET A 17 8.855 -2.662 -3.013 1.00 53.15 H new ATOM 0 HE2 MET A 17 9.139 -2.537 -1.260 1.00 53.15 H new ATOM 0 HE3 MET A 17 7.542 -2.133 -1.935 1.00 53.15 H new ATOM 298 N SER A 18 10.519 -0.842 3.392 1.00 12.30 N ATOM 299 CA SER A 18 10.954 -1.707 4.482 1.00 13.45 C ATOM 300 C SER A 18 9.766 -2.426 5.113 1.00 72.33 C ATOM 301 O SER A 18 8.811 -1.792 5.564 1.00 4.32 O ATOM 302 CB SER A 18 11.695 -0.891 5.544 1.00 42.33 C ATOM 303 OG SER A 18 10.904 0.196 5.994 1.00 12.33 O ATOM 0 H SER A 18 9.530 -0.594 3.420 1.00 12.30 H new ATOM 0 HA SER A 18 11.632 -2.455 4.071 1.00 13.45 H new ATOM 0 HB2 SER A 18 11.951 -1.532 6.387 1.00 42.33 H new ATOM 0 HB3 SER A 18 12.632 -0.517 5.132 1.00 42.33 H new ATOM 0 HG SER A 18 9.955 -0.018 5.874 1.00 12.33 H new ATOM 308 N ALA A 19 9.832 -3.753 5.143 1.00 11.30 N ATOM 309 CA ALA A 19 8.764 -4.558 5.721 1.00 43.32 C ATOM 310 C ALA A 19 9.262 -5.349 6.925 1.00 44.21 C ATOM 311 O ALA A 19 10.463 -5.405 7.189 1.00 21.23 O ATOM 312 CB ALA A 19 8.185 -5.497 4.672 1.00 51.01 C ATOM 0 H ALA A 19 10.614 -4.293 4.773 1.00 11.30 H new ATOM 0 HA ALA A 19 7.979 -3.884 6.063 1.00 43.32 H new ATOM 0 HB1 ALA A 19 7.388 -6.093 5.117 1.00 51.01 H new ATOM 0 HB2 ALA A 19 7.783 -4.914 3.844 1.00 51.01 H new ATOM 0 HB3 ALA A 19 8.969 -6.158 4.303 1.00 51.01 H new ATOM 318 N SER A 20 8.332 -5.961 7.651 1.00 75.11 N ATOM 319 CA SER A 20 8.678 -6.746 8.831 1.00 55.32 C ATOM 320 C SER A 20 9.776 -7.755 8.509 1.00 72.42 C ATOM 321 O SER A 20 10.792 -7.826 9.201 1.00 54.43 O ATOM 322 CB SER A 20 7.442 -7.472 9.366 1.00 51.21 C ATOM 323 OG SER A 20 7.800 -8.438 10.339 1.00 34.44 O ATOM 0 H SER A 20 7.334 -5.929 7.443 1.00 75.11 H new ATOM 0 HA SER A 20 9.049 -6.064 9.596 1.00 55.32 H new ATOM 0 HB2 SER A 20 6.752 -6.750 9.803 1.00 51.21 H new ATOM 0 HB3 SER A 20 6.917 -7.957 8.543 1.00 51.21 H new ATOM 0 HG SER A 20 6.993 -8.887 10.667 1.00 34.44 H new ATOM 328 N SER A 21 9.563 -8.536 7.455 1.00 53.44 N ATOM 329 CA SER A 21 10.531 -9.545 7.042 1.00 33.11 C ATOM 330 C SER A 21 10.250 -10.018 5.619 1.00 75.30 C ATOM 331 O SER A 21 9.095 -10.153 5.216 1.00 25.13 O ATOM 332 CB SER A 21 10.501 -10.734 8.003 1.00 70.21 C ATOM 333 OG SER A 21 11.030 -10.380 9.270 1.00 65.54 O ATOM 0 H SER A 21 8.728 -8.489 6.871 1.00 53.44 H new ATOM 0 HA SER A 21 11.523 -9.093 7.066 1.00 33.11 H new ATOM 0 HB2 SER A 21 9.476 -11.086 8.119 1.00 70.21 H new ATOM 0 HB3 SER A 21 11.076 -11.559 7.583 1.00 70.21 H new ATOM 0 HG SER A 21 11.341 -9.451 9.247 1.00 65.54 H new ATOM 338 N SER A 22 11.314 -10.268 4.864 1.00 70.00 N ATOM 339 CA SER A 22 11.183 -10.724 3.485 1.00 41.43 C ATOM 340 C SER A 22 11.469 -12.218 3.376 1.00 15.32 C ATOM 341 O SER A 22 12.113 -12.803 4.248 1.00 11.30 O ATOM 342 CB SER A 22 12.134 -9.943 2.576 1.00 51.00 C ATOM 343 OG SER A 22 13.398 -10.579 2.494 1.00 54.40 O ATOM 0 H SER A 22 12.277 -10.163 5.184 1.00 70.00 H new ATOM 0 HA SER A 22 10.156 -10.545 3.165 1.00 41.43 H new ATOM 0 HB2 SER A 22 11.701 -9.857 1.579 1.00 51.00 H new ATOM 0 HB3 SER A 22 12.257 -8.930 2.958 1.00 51.00 H new ATOM 0 HG SER A 22 13.987 -10.061 1.906 1.00 54.40 H new ATOM 348 N TYR A 23 10.987 -12.830 2.300 1.00 33.53 N ATOM 349 CA TYR A 23 11.188 -14.256 2.078 1.00 2.14 C ATOM 350 C TYR A 23 12.662 -14.628 2.220 1.00 43.04 C ATOM 351 O TYR A 23 13.070 -15.224 3.216 1.00 34.33 O ATOM 352 CB TYR A 23 10.682 -14.654 0.690 1.00 53.01 C ATOM 353 CG TYR A 23 11.081 -16.053 0.278 1.00 2.33 C ATOM 354 CD1 TYR A 23 11.012 -17.110 1.177 1.00 20.23 C ATOM 355 CD2 TYR A 23 11.527 -16.318 -1.012 1.00 73.13 C ATOM 356 CE1 TYR A 23 11.377 -18.389 0.804 1.00 63.42 C ATOM 357 CE2 TYR A 23 11.892 -17.594 -1.393 1.00 52.34 C ATOM 358 CZ TYR A 23 11.815 -18.627 -0.482 1.00 15.11 C ATOM 359 OH TYR A 23 12.178 -19.899 -0.857 1.00 21.43 O ATOM 0 H TYR A 23 10.454 -12.360 1.568 1.00 33.53 H new ATOM 0 HA TYR A 23 10.620 -14.799 2.834 1.00 2.14 H new ATOM 0 HB2 TYR A 23 9.595 -14.575 0.672 1.00 53.01 H new ATOM 0 HB3 TYR A 23 11.065 -13.945 -0.044 1.00 53.01 H new ATOM 0 HD1 TYR A 23 10.667 -16.929 2.184 1.00 20.23 H new ATOM 0 HD2 TYR A 23 11.589 -15.512 -1.728 1.00 73.13 H new ATOM 0 HE1 TYR A 23 11.320 -19.199 1.516 1.00 63.42 H new ATOM 0 HE2 TYR A 23 12.236 -17.782 -2.399 1.00 52.34 H new ATOM 0 HH TYR A 23 12.462 -19.895 -1.795 1.00 21.43 H new ATOM 534 N TYR A 34 15.843 -7.154 1.598 1.00 21.23 N ATOM 535 CA TYR A 34 16.190 -6.406 0.395 1.00 34.04 C ATOM 536 C TYR A 34 14.938 -6.006 -0.378 1.00 63.00 C ATOM 537 O TYR A 34 14.679 -6.484 -1.483 1.00 15.24 O ATOM 538 CB TYR A 34 17.112 -7.237 -0.499 1.00 10.15 C ATOM 539 CG TYR A 34 18.045 -6.403 -1.348 1.00 33.00 C ATOM 540 CD1 TYR A 34 17.550 -5.439 -2.217 1.00 32.41 C ATOM 541 CD2 TYR A 34 19.421 -6.578 -1.279 1.00 71.11 C ATOM 542 CE1 TYR A 34 18.398 -4.675 -2.995 1.00 32.11 C ATOM 543 CE2 TYR A 34 20.277 -5.817 -2.052 1.00 22.04 C ATOM 544 CZ TYR A 34 19.761 -4.868 -2.908 1.00 4.42 C ATOM 545 OH TYR A 34 20.610 -4.108 -3.681 1.00 63.21 O ATOM 0 HA TYR A 34 16.712 -5.499 0.700 1.00 34.04 H new ATOM 0 HB2 TYR A 34 17.703 -7.906 0.126 1.00 10.15 H new ATOM 0 HB3 TYR A 34 16.504 -7.864 -1.151 1.00 10.15 H new ATOM 0 HD1 TYR A 34 16.483 -5.284 -2.286 1.00 32.41 H new ATOM 0 HD2 TYR A 34 19.829 -7.321 -0.610 1.00 71.11 H new ATOM 0 HE1 TYR A 34 17.996 -3.931 -3.667 1.00 32.11 H new ATOM 0 HE2 TYR A 34 21.345 -5.965 -1.986 1.00 22.04 H new ATOM 0 HH TYR A 34 21.538 -4.367 -3.500 1.00 63.21 H new ATOM 554 N PRO A 35 14.139 -5.106 0.215 1.00 11.01 N ATOM 555 CA PRO A 35 12.901 -4.619 -0.400 1.00 30.41 C ATOM 556 C PRO A 35 13.165 -3.732 -1.612 1.00 74.55 C ATOM 557 O PRO A 35 14.296 -3.634 -2.086 1.00 54.41 O ATOM 558 CB PRO A 35 12.242 -3.812 0.722 1.00 64.11 C ATOM 559 CG PRO A 35 13.371 -3.386 1.595 1.00 73.45 C ATOM 560 CD PRO A 35 14.384 -4.494 1.532 1.00 32.04 C ATOM 0 HA PRO A 35 12.284 -5.435 -0.776 1.00 30.41 H new ATOM 0 HB2 PRO A 35 11.701 -2.952 0.326 1.00 64.11 H new ATOM 0 HB3 PRO A 35 11.521 -4.416 1.273 1.00 64.11 H new ATOM 0 HG2 PRO A 35 13.799 -2.446 1.248 1.00 73.45 H new ATOM 0 HG3 PRO A 35 13.033 -3.224 2.619 1.00 73.45 H new ATOM 0 HD2 PRO A 35 15.402 -4.113 1.615 1.00 32.04 H new ATOM 0 HD3 PRO A 35 14.245 -5.212 2.341 1.00 32.04 H new ATOM 565 N HIS A 36 12.113 -3.087 -2.107 1.00 15.55 N ATOM 566 CA HIS A 36 12.232 -2.206 -3.264 1.00 32.54 C ATOM 567 C HIS A 36 12.785 -2.962 -4.467 1.00 65.14 C ATOM 568 O HIS A 36 13.884 -2.674 -4.943 1.00 3.10 O ATOM 569 CB HIS A 36 13.136 -1.018 -2.934 1.00 54.42 C ATOM 570 CG HIS A 36 13.176 0.021 -4.013 1.00 21.43 C ATOM 571 ND1 HIS A 36 12.066 0.735 -4.413 1.00 23.01 N ATOM 572 CD2 HIS A 36 14.202 0.466 -4.775 1.00 11.42 C ATOM 573 CE1 HIS A 36 12.407 1.572 -5.376 1.00 34.51 C ATOM 574 NE2 HIS A 36 13.698 1.430 -5.614 1.00 25.35 N ATOM 0 H HIS A 36 11.170 -3.158 -1.726 1.00 15.55 H new ATOM 0 HA HIS A 36 11.237 -1.838 -3.515 1.00 32.54 H new ATOM 0 HB2 HIS A 36 12.792 -0.556 -2.009 1.00 54.42 H new ATOM 0 HB3 HIS A 36 14.148 -1.381 -2.752 1.00 54.42 H new ATOM 0 HD2 HIS A 36 15.226 0.126 -4.732 1.00 11.42 H new ATOM 0 HE1 HIS A 36 11.743 2.256 -5.883 1.00 34.51 H new ATOM 0 HE2 HIS A 36 14.234 1.951 -6.308 1.00 25.35 H new ATOM 581 N LEU A 37 12.017 -3.930 -4.955 1.00 51.21 N ATOM 582 CA LEU A 37 12.430 -4.729 -6.104 1.00 62.15 C ATOM 583 C LEU A 37 11.541 -4.446 -7.311 1.00 64.22 C ATOM 584 O LEU A 37 11.902 -4.753 -8.447 1.00 13.34 O ATOM 585 CB LEU A 37 12.382 -6.218 -5.759 1.00 71.21 C ATOM 586 CG LEU A 37 13.623 -6.788 -5.071 1.00 61.10 C ATOM 587 CD1 LEU A 37 14.338 -5.706 -4.277 1.00 63.44 C ATOM 588 CD2 LEU A 37 13.244 -7.953 -4.168 1.00 3.52 C ATOM 0 H LEU A 37 11.105 -4.181 -4.573 1.00 51.21 H new ATOM 0 HA LEU A 37 13.454 -4.454 -6.357 1.00 62.15 H new ATOM 0 HB2 LEU A 37 11.521 -6.393 -5.114 1.00 71.21 H new ATOM 0 HB3 LEU A 37 12.211 -6.778 -6.678 1.00 71.21 H new ATOM 0 HG LEU A 37 14.304 -7.156 -5.839 1.00 61.10 H new ATOM 0 HD11 LEU A 37 15.218 -6.130 -3.795 1.00 63.44 H new ATOM 0 HD12 LEU A 37 14.644 -4.904 -4.949 1.00 63.44 H new ATOM 0 HD13 LEU A 37 13.665 -5.307 -3.518 1.00 63.44 H new ATOM 0 HD21 LEU A 37 14.139 -8.346 -3.687 1.00 3.52 H new ATOM 0 HD22 LEU A 37 12.543 -7.610 -3.407 1.00 3.52 H new ATOM 0 HD23 LEU A 37 12.778 -8.738 -4.763 1.00 3.52 H new ATOM 599 N GLY A 38 10.376 -3.858 -7.058 1.00 55.22 N ATOM 600 CA GLY A 38 9.455 -3.541 -8.133 1.00 64.33 C ATOM 601 C GLY A 38 9.877 -2.314 -8.916 1.00 3.45 C ATOM 602 O GLY A 38 9.213 -1.923 -9.877 1.00 13.45 O ATOM 0 H GLY A 38 10.054 -3.595 -6.127 1.00 55.22 H new ATOM 0 HA2 GLY A 38 9.384 -4.393 -8.809 1.00 64.33 H new ATOM 0 HA3 GLY A 38 8.460 -3.379 -7.719 1.00 64.33 H new ATOM 606 N ARG A 39 10.983 -1.703 -8.505 1.00 11.24 N ATOM 607 CA ARG A 39 11.492 -0.511 -9.173 1.00 23.32 C ATOM 608 C ARG A 39 11.586 -0.731 -10.681 1.00 73.52 C ATOM 609 O ARG A 39 11.651 -1.867 -11.150 1.00 5.13 O ATOM 610 CB ARG A 39 12.866 -0.136 -8.617 1.00 32.21 C ATOM 611 CG ARG A 39 13.987 -1.044 -9.096 1.00 50.02 C ATOM 612 CD ARG A 39 15.321 -0.655 -8.478 1.00 3.15 C ATOM 613 NE ARG A 39 16.416 -0.738 -9.442 1.00 31.41 N ATOM 614 CZ ARG A 39 17.612 -0.194 -9.244 1.00 23.40 C ATOM 615 NH1 ARG A 39 17.866 0.466 -8.124 1.00 14.13 N ATOM 616 NH2 ARG A 39 18.557 -0.312 -10.169 1.00 64.41 N ATOM 0 H ARG A 39 11.544 -2.014 -7.712 1.00 11.24 H new ATOM 0 HA ARG A 39 10.795 0.306 -8.984 1.00 23.32 H new ATOM 0 HB2 ARG A 39 13.095 0.891 -8.901 1.00 32.21 H new ATOM 0 HB3 ARG A 39 12.828 -0.164 -7.528 1.00 32.21 H new ATOM 0 HG2 ARG A 39 13.754 -2.078 -8.840 1.00 50.02 H new ATOM 0 HG3 ARG A 39 14.059 -0.993 -10.182 1.00 50.02 H new ATOM 0 HD2 ARG A 39 15.257 0.361 -8.088 1.00 3.15 H new ATOM 0 HD3 ARG A 39 15.533 -1.308 -7.632 1.00 3.15 H new ATOM 0 HE ARG A 39 16.253 -1.241 -10.314 1.00 31.41 H new ATOM 0 HH11 ARG A 39 17.143 0.558 -7.411 1.00 14.13 H new ATOM 0 HH12 ARG A 39 18.785 0.883 -7.975 1.00 14.13 H new ATOM 0 HH21 ARG A 39 18.365 -0.820 -11.032 1.00 64.41 H new ATOM 0 HH22 ARG A 39 19.475 0.106 -10.017 1.00 64.41 H new ATOM 627 N LEU A 40 11.589 0.363 -11.433 1.00 12.55 N ATOM 628 CA LEU A 40 11.674 0.291 -12.888 1.00 53.31 C ATOM 629 C LEU A 40 12.866 -0.556 -13.323 1.00 60.31 C ATOM 630 O LEU A 40 12.723 -1.481 -14.122 1.00 0.21 O ATOM 631 CB LEU A 40 11.788 1.697 -13.482 1.00 5.23 C ATOM 632 CG LEU A 40 12.182 1.771 -14.957 1.00 2.51 C ATOM 633 CD1 LEU A 40 11.167 1.037 -15.819 1.00 23.11 C ATOM 634 CD2 LEU A 40 12.313 3.220 -15.402 1.00 42.42 C ATOM 0 H LEU A 40 11.534 1.311 -11.060 1.00 12.55 H new ATOM 0 HA LEU A 40 10.763 -0.180 -13.258 1.00 53.31 H new ATOM 0 HB2 LEU A 40 10.830 2.202 -13.356 1.00 5.23 H new ATOM 0 HB3 LEU A 40 12.522 2.257 -12.902 1.00 5.23 H new ATOM 0 HG LEU A 40 13.150 1.285 -15.079 1.00 2.51 H new ATOM 0 HD11 LEU A 40 11.465 1.101 -16.866 1.00 23.11 H new ATOM 0 HD12 LEU A 40 11.123 -0.010 -15.517 1.00 23.11 H new ATOM 0 HD13 LEU A 40 10.185 1.493 -15.693 1.00 23.11 H new ATOM 0 HD21 LEU A 40 12.594 3.253 -16.455 1.00 42.42 H new ATOM 0 HD22 LEU A 40 11.360 3.730 -15.265 1.00 42.42 H new ATOM 0 HD23 LEU A 40 13.079 3.716 -14.806 1.00 42.42 H new ATOM 645 N ASP A 41 14.039 -0.235 -12.790 1.00 53.52 N ATOM 646 CA ASP A 41 15.255 -0.967 -13.120 1.00 4.30 C ATOM 647 C ASP A 41 15.353 -2.253 -12.305 1.00 41.51 C ATOM 648 O ASP A 41 16.322 -2.465 -11.578 1.00 30.54 O ATOM 649 CB ASP A 41 16.486 -0.095 -12.870 1.00 41.21 C ATOM 650 CG ASP A 41 16.316 1.314 -13.404 1.00 22.33 C ATOM 651 OD1 ASP A 41 15.624 2.118 -12.745 1.00 4.14 O ATOM 652 OD2 ASP A 41 16.874 1.612 -14.481 1.00 33.11 O ATOM 0 H ASP A 41 14.173 0.528 -12.127 1.00 53.52 H new ATOM 0 HA ASP A 41 15.215 -1.230 -14.177 1.00 4.30 H new ATOM 0 HB2 ASP A 41 16.686 -0.053 -11.799 1.00 41.21 H new ATOM 0 HB3 ASP A 41 17.355 -0.556 -13.339 1.00 41.21 H new ATOM 656 N ASN A 42 14.342 -3.106 -12.432 1.00 24.53 N ATOM 657 CA ASN A 42 14.314 -4.371 -11.706 1.00 73.11 C ATOM 658 C ASN A 42 15.125 -5.437 -12.436 1.00 50.13 C ATOM 659 O ASN A 42 14.896 -5.704 -13.616 1.00 53.54 O ATOM 660 CB ASN A 42 12.871 -4.847 -11.525 1.00 74.33 C ATOM 661 CG ASN A 42 12.108 -4.890 -12.835 1.00 4.24 C ATOM 662 OD1 ASN A 42 12.064 -5.922 -13.506 1.00 73.34 O ATOM 663 ND2 ASN A 42 11.503 -3.768 -13.205 1.00 4.20 N ATOM 0 H ASN A 42 13.532 -2.945 -13.030 1.00 24.53 H new ATOM 0 HA ASN A 42 14.762 -4.208 -10.726 1.00 73.11 H new ATOM 0 HB2 ASN A 42 12.872 -5.840 -11.076 1.00 74.33 H new ATOM 0 HB3 ASN A 42 12.357 -4.183 -10.830 1.00 74.33 H new ATOM 0 HD21 ASN A 42 10.975 -3.737 -14.077 1.00 4.20 H new ATOM 0 HD22 ASN A 42 11.566 -2.937 -12.617 1.00 4.20 H new ATOM 669 N GLN A 43 16.071 -6.043 -11.727 1.00 33.02 N ATOM 670 CA GLN A 43 16.915 -7.079 -12.308 1.00 4.45 C ATOM 671 C GLN A 43 16.735 -8.404 -11.575 1.00 53.05 C ATOM 672 O GLN A 43 15.923 -8.511 -10.657 1.00 71.44 O ATOM 673 CB GLN A 43 18.384 -6.655 -12.263 1.00 40.21 C ATOM 674 CG GLN A 43 18.785 -5.988 -10.958 1.00 13.13 C ATOM 675 CD GLN A 43 18.626 -4.481 -10.999 1.00 40.33 C ATOM 676 OE1 GLN A 43 18.847 -3.849 -12.032 1.00 44.43 O ATOM 677 NE2 GLN A 43 18.240 -3.895 -9.872 1.00 14.12 N ATOM 0 H GLN A 43 16.272 -5.834 -10.749 1.00 33.02 H new ATOM 0 HA GLN A 43 16.614 -7.215 -13.347 1.00 4.45 H new ATOM 0 HB2 GLN A 43 19.012 -7.532 -12.421 1.00 40.21 H new ATOM 0 HB3 GLN A 43 18.581 -5.970 -13.087 1.00 40.21 H new ATOM 0 HG2 GLN A 43 18.179 -6.391 -10.147 1.00 13.13 H new ATOM 0 HG3 GLN A 43 19.823 -6.234 -10.733 1.00 13.13 H new ATOM 0 HE21 GLN A 43 18.067 -4.457 -9.038 1.00 14.12 H new ATOM 0 HE22 GLN A 43 18.116 -2.883 -9.840 1.00 14.12 H new ATOM 684 N GLY A 44 17.498 -9.412 -11.986 1.00 63.21 N ATOM 685 CA GLY A 44 17.405 -10.716 -11.358 1.00 22.15 C ATOM 686 C GLY A 44 16.239 -11.531 -11.880 1.00 62.32 C ATOM 687 O GLY A 44 16.349 -12.199 -12.909 1.00 55.24 O ATOM 0 H GLY A 44 18.179 -9.348 -12.743 1.00 63.21 H new ATOM 0 HA2 GLY A 44 18.332 -11.264 -11.528 1.00 22.15 H new ATOM 0 HA3 GLY A 44 17.302 -10.590 -10.280 1.00 22.15 H new ATOM 691 N LYS A 45 15.117 -11.480 -11.169 1.00 54.42 N ATOM 692 CA LYS A 45 13.925 -12.218 -11.566 1.00 62.31 C ATOM 693 C LYS A 45 12.777 -11.958 -10.596 1.00 62.20 C ATOM 694 O LYS A 45 11.607 -12.003 -10.978 1.00 65.34 O ATOM 695 CB LYS A 45 14.226 -13.718 -11.628 1.00 71.24 C ATOM 696 CG LYS A 45 14.604 -14.318 -10.285 1.00 54.41 C ATOM 697 CD LYS A 45 16.005 -13.905 -9.865 1.00 61.22 C ATOM 698 CE LYS A 45 16.682 -14.989 -9.040 1.00 71.14 C ATOM 699 NZ LYS A 45 18.088 -14.634 -8.706 1.00 32.44 N ATOM 0 H LYS A 45 15.009 -10.934 -10.314 1.00 54.42 H new ATOM 0 HA LYS A 45 13.626 -11.873 -12.556 1.00 62.31 H new ATOM 0 HB2 LYS A 45 13.351 -14.240 -12.016 1.00 71.24 H new ATOM 0 HB3 LYS A 45 15.039 -13.888 -12.334 1.00 71.24 H new ATOM 0 HG2 LYS A 45 13.887 -13.999 -9.528 1.00 54.41 H new ATOM 0 HG3 LYS A 45 14.546 -15.405 -10.341 1.00 54.41 H new ATOM 0 HD2 LYS A 45 16.604 -13.693 -10.751 1.00 61.22 H new ATOM 0 HD3 LYS A 45 15.955 -12.983 -9.286 1.00 61.22 H new ATOM 0 HE2 LYS A 45 16.120 -15.150 -8.120 1.00 71.14 H new ATOM 0 HE3 LYS A 45 16.666 -15.929 -9.592 1.00 71.14 H new ATOM 0 HZ1 LYS A 45 18.515 -15.398 -8.143 1.00 32.44 H new ATOM 0 HZ2 LYS A 45 18.631 -14.505 -9.583 1.00 32.44 H new ATOM 0 HZ3 LYS A 45 18.102 -13.751 -8.157 1.00 32.44 H new ATOM 709 N ILE A 46 13.119 -11.686 -9.341 1.00 60.44 N ATOM 710 CA ILE A 46 12.115 -11.416 -8.319 1.00 23.34 C ATOM 711 C ILE A 46 11.321 -10.157 -8.645 1.00 42.23 C ATOM 712 O ILE A 46 10.095 -10.188 -8.727 1.00 62.14 O ATOM 713 CB ILE A 46 12.757 -11.259 -6.927 1.00 3.31 C ATOM 714 CG1 ILE A 46 13.765 -12.383 -6.677 1.00 63.51 C ATOM 715 CG2 ILE A 46 11.686 -11.249 -5.847 1.00 53.32 C ATOM 716 CD1 ILE A 46 15.206 -11.926 -6.724 1.00 53.13 C ATOM 0 H ILE A 46 14.082 -11.647 -9.008 1.00 60.44 H new ATOM 0 HA ILE A 46 11.441 -12.273 -8.306 1.00 23.34 H new ATOM 0 HB ILE A 46 13.287 -10.307 -6.893 1.00 3.31 H new ATOM 0 HG12 ILE A 46 13.566 -12.828 -5.702 1.00 63.51 H new ATOM 0 HG13 ILE A 46 13.616 -13.165 -7.421 1.00 63.51 H new ATOM 0 HG21 ILE A 46 12.156 -11.137 -4.870 1.00 53.32 H new ATOM 0 HG22 ILE A 46 11.004 -10.416 -6.019 1.00 53.32 H new ATOM 0 HG23 ILE A 46 11.130 -12.186 -5.877 1.00 53.32 H new ATOM 0 HD11 ILE A 46 15.863 -12.775 -6.538 1.00 53.13 H new ATOM 0 HD12 ILE A 46 15.423 -11.507 -7.707 1.00 53.13 H new ATOM 0 HD13 ILE A 46 15.372 -11.165 -5.961 1.00 53.13 H new ATOM 727 N ASN A 47 12.032 -9.048 -8.833 1.00 65.15 N ATOM 728 CA ASN A 47 11.393 -7.776 -9.153 1.00 24.50 C ATOM 729 C ASN A 47 10.110 -7.594 -8.346 1.00 0.22 C ATOM 730 O ASN A 47 9.099 -7.126 -8.867 1.00 3.22 O ATOM 731 CB ASN A 47 11.083 -7.700 -10.648 1.00 43.53 C ATOM 732 CG ASN A 47 10.170 -8.820 -11.109 1.00 25.52 C ATOM 733 OD1 ASN A 47 10.679 -9.674 -11.990 1.00 23.31 O flip ATOM 734 ND2 ASN A 47 9.022 -8.917 -10.676 1.00 21.11 N flip ATOM 0 H ASN A 47 13.049 -9.005 -8.769 1.00 65.15 H new ATOM 0 HA ASN A 47 12.083 -6.974 -8.891 1.00 24.50 H new ATOM 0 HB2 ASN A 47 10.617 -6.740 -10.871 1.00 43.53 H new ATOM 0 HB3 ASN A 47 12.015 -7.740 -11.212 1.00 43.53 H new ATOM 0 HD21 ASN A 47 8.673 -8.238 -10.000 1.00 21.11 H new ATOM 0 HD22 ASN A 47 8.420 -9.677 -10.993 1.00 21.11 H new ATOM 740 N ALA A 48 10.162 -7.965 -7.071 1.00 41.23 N ATOM 741 CA ALA A 48 9.007 -7.840 -6.192 1.00 31.30 C ATOM 742 C ALA A 48 9.343 -8.292 -4.775 1.00 51.13 C ATOM 743 O ALA A 48 10.066 -9.270 -4.581 1.00 50.23 O ATOM 744 CB ALA A 48 7.836 -8.643 -6.740 1.00 51.22 C ATOM 0 H ALA A 48 10.992 -8.355 -6.624 1.00 41.23 H new ATOM 0 HA ALA A 48 8.725 -6.788 -6.153 1.00 31.30 H new ATOM 0 HB1 ALA A 48 6.980 -8.540 -6.073 1.00 51.22 H new ATOM 0 HB2 ALA A 48 7.571 -8.271 -7.730 1.00 51.22 H new ATOM 0 HB3 ALA A 48 8.117 -9.694 -6.811 1.00 51.22 H new ATOM 750 N TRP A 49 8.815 -7.575 -3.789 1.00 1.23 N ATOM 751 CA TRP A 49 9.061 -7.904 -2.389 1.00 63.22 C ATOM 752 C TRP A 49 8.149 -9.034 -1.927 1.00 63.40 C ATOM 753 O TRP A 49 6.938 -9.002 -2.154 1.00 4.21 O ATOM 754 CB TRP A 49 8.851 -6.670 -1.510 1.00 13.42 C ATOM 755 CG TRP A 49 8.673 -6.998 -0.059 1.00 31.01 C ATOM 756 CD1 TRP A 49 9.645 -7.030 0.900 1.00 50.32 C ATOM 757 CD2 TRP A 49 7.448 -7.343 0.597 1.00 15.13 C ATOM 758 NE1 TRP A 49 9.098 -7.373 2.113 1.00 12.33 N ATOM 759 CE2 TRP A 49 7.752 -7.569 1.955 1.00 4.13 C ATOM 760 CE3 TRP A 49 6.124 -7.480 0.172 1.00 13.12 C ATOM 761 CZ2 TRP A 49 6.781 -7.927 2.885 1.00 50.24 C ATOM 762 CZ3 TRP A 49 5.161 -7.835 1.097 1.00 73.02 C ATOM 763 CH2 TRP A 49 5.493 -8.054 2.441 1.00 24.40 C ATOM 0 H TRP A 49 8.215 -6.763 -3.933 1.00 1.23 H new ATOM 0 HA TRP A 49 10.095 -8.236 -2.296 1.00 63.22 H new ATOM 0 HB2 TRP A 49 9.706 -6.003 -1.622 1.00 13.42 H new ATOM 0 HB3 TRP A 49 7.974 -6.127 -1.863 1.00 13.42 H new ATOM 0 HD1 TRP A 49 10.690 -6.817 0.730 1.00 50.32 H new ATOM 0 HE1 TRP A 49 9.612 -7.466 2.989 1.00 12.33 H new ATOM 0 HE3 TRP A 49 5.858 -7.311 -0.861 1.00 13.12 H new ATOM 0 HZ2 TRP A 49 7.035 -8.099 3.921 1.00 50.24 H new ATOM 0 HZ3 TRP A 49 4.135 -7.946 0.779 1.00 73.02 H new ATOM 0 HH2 TRP A 49 4.717 -8.328 3.140 1.00 24.40 H new ATOM 773 N THR A 50 8.734 -10.034 -1.276 1.00 22.13 N ATOM 774 CA THR A 50 7.974 -11.174 -0.782 1.00 23.04 C ATOM 775 C THR A 50 7.939 -11.195 0.741 1.00 61.31 C ATOM 776 O THR A 50 8.718 -10.506 1.399 1.00 51.53 O ATOM 777 CB THR A 50 8.564 -12.505 -1.288 1.00 42.31 C ATOM 778 OG1 THR A 50 9.225 -12.302 -2.542 1.00 55.40 O ATOM 779 CG2 THR A 50 7.474 -13.554 -1.449 1.00 63.31 C ATOM 0 H THR A 50 9.734 -10.077 -1.079 1.00 22.13 H new ATOM 0 HA THR A 50 6.959 -11.065 -1.164 1.00 23.04 H new ATOM 0 HB THR A 50 9.284 -12.861 -0.551 1.00 42.31 H new ATOM 0 HG1 THR A 50 9.599 -13.152 -2.856 1.00 55.40 H new ATOM 0 HG21 THR A 50 7.915 -14.484 -1.807 1.00 63.31 H new ATOM 0 HG22 THR A 50 6.991 -13.728 -0.487 1.00 63.31 H new ATOM 0 HG23 THR A 50 6.734 -13.203 -2.168 1.00 63.31 H new ATOM 787 N ALA A 51 7.031 -11.990 1.298 1.00 61.13 N ATOM 788 CA ALA A 51 6.897 -12.101 2.745 1.00 61.15 C ATOM 789 C ALA A 51 7.844 -13.158 3.305 1.00 40.24 C ATOM 790 O ALA A 51 8.348 -14.004 2.567 1.00 12.11 O ATOM 791 CB ALA A 51 5.459 -12.428 3.118 1.00 63.04 C ATOM 0 H ALA A 51 6.377 -12.567 0.769 1.00 61.13 H new ATOM 0 HA ALA A 51 7.166 -11.140 3.185 1.00 61.15 H new ATOM 0 HB1 ALA A 51 5.373 -12.508 4.202 1.00 63.04 H new ATOM 0 HB2 ALA A 51 4.801 -11.636 2.759 1.00 63.04 H new ATOM 0 HB3 ALA A 51 5.171 -13.374 2.660 1.00 63.04 H new ATOM 797 N GLN A 52 8.081 -13.101 4.611 1.00 22.00 N ATOM 798 CA GLN A 52 8.969 -14.053 5.267 1.00 74.52 C ATOM 799 C GLN A 52 8.197 -15.281 5.739 1.00 41.13 C ATOM 800 O GLN A 52 8.513 -16.408 5.359 1.00 4.41 O ATOM 801 CB GLN A 52 9.672 -13.391 6.454 1.00 11.42 C ATOM 802 CG GLN A 52 10.642 -14.312 7.177 1.00 3.42 C ATOM 803 CD GLN A 52 12.084 -14.074 6.771 1.00 61.31 C ATOM 804 OE1 GLN A 52 12.720 -13.122 7.226 1.00 45.22 O ATOM 805 NE2 GLN A 52 12.608 -14.940 5.911 1.00 11.25 N ATOM 0 H GLN A 52 7.671 -12.406 5.235 1.00 22.00 H new ATOM 0 HA GLN A 52 9.717 -14.373 4.542 1.00 74.52 H new ATOM 0 HB2 GLN A 52 10.212 -12.512 6.102 1.00 11.42 H new ATOM 0 HB3 GLN A 52 8.920 -13.041 7.162 1.00 11.42 H new ATOM 0 HG2 GLN A 52 10.542 -14.166 8.253 1.00 3.42 H new ATOM 0 HG3 GLN A 52 10.376 -15.349 6.970 1.00 3.42 H new ATOM 0 HE21 GLN A 52 12.045 -15.714 5.560 1.00 11.25 H new ATOM 0 HE22 GLN A 52 13.574 -14.831 5.602 1.00 11.25 H new ATOM 812 N SER A 53 7.184 -15.055 6.570 1.00 4.44 N ATOM 813 CA SER A 53 6.370 -16.144 7.097 1.00 2.33 C ATOM 814 C SER A 53 5.302 -16.559 6.090 1.00 63.31 C ATOM 815 O SER A 53 4.635 -17.579 6.261 1.00 35.32 O ATOM 816 CB SER A 53 5.712 -15.726 8.413 1.00 61.00 C ATOM 817 OG SER A 53 6.682 -15.304 9.356 1.00 72.32 O ATOM 0 H SER A 53 6.908 -14.128 6.893 1.00 4.44 H new ATOM 0 HA SER A 53 7.023 -16.997 7.281 1.00 2.33 H new ATOM 0 HB2 SER A 53 5.004 -14.918 8.229 1.00 61.00 H new ATOM 0 HB3 SER A 53 5.143 -16.562 8.821 1.00 61.00 H new ATOM 0 HG SER A 53 6.236 -15.040 10.188 1.00 72.32 H new ATOM 822 N ASN A 54 5.146 -15.761 5.039 1.00 24.34 N ATOM 823 CA ASN A 54 4.158 -16.045 4.004 1.00 2.44 C ATOM 824 C ASN A 54 2.743 -15.997 4.573 1.00 32.34 C ATOM 825 O ASN A 54 1.875 -16.771 4.171 1.00 53.35 O ATOM 826 CB ASN A 54 4.423 -17.416 3.379 1.00 22.41 C ATOM 827 CG ASN A 54 5.902 -17.742 3.303 1.00 1.10 C ATOM 828 OD1 ASN A 54 6.664 -17.059 2.617 1.00 25.13 O ATOM 829 ND2 ASN A 54 6.315 -18.788 4.009 1.00 42.04 N ATOM 0 H ASN A 54 5.691 -14.913 4.881 1.00 24.34 H new ATOM 0 HA ASN A 54 4.246 -15.279 3.234 1.00 2.44 H new ATOM 0 HB2 ASN A 54 3.915 -18.183 3.963 1.00 22.41 H new ATOM 0 HB3 ASN A 54 3.996 -17.444 2.377 1.00 22.41 H new ATOM 0 HD21 ASN A 54 7.299 -19.055 3.997 1.00 42.04 H new ATOM 0 HD22 ASN A 54 5.648 -19.325 4.563 1.00 42.04 H new ATOM 835 N SER A 55 2.521 -15.083 5.513 1.00 64.30 N ATOM 836 CA SER A 55 1.213 -14.936 6.141 1.00 24.15 C ATOM 837 C SER A 55 0.743 -13.486 6.084 1.00 63.03 C ATOM 838 O SER A 55 1.425 -12.623 5.535 1.00 53.01 O ATOM 839 CB SER A 55 1.265 -15.410 7.594 1.00 33.33 C ATOM 840 OG SER A 55 2.427 -16.185 7.837 1.00 32.12 O ATOM 0 H SER A 55 3.229 -14.434 5.856 1.00 64.30 H new ATOM 0 HA SER A 55 0.502 -15.552 5.591 1.00 24.15 H new ATOM 0 HB2 SER A 55 1.253 -14.548 8.261 1.00 33.33 H new ATOM 0 HB3 SER A 55 0.377 -16.000 7.819 1.00 33.33 H new ATOM 0 HG SER A 55 2.437 -16.475 8.773 1.00 32.12 H new ATOM 845 N ALA A 56 -0.429 -13.227 6.655 1.00 21.14 N ATOM 846 CA ALA A 56 -0.991 -11.883 6.672 1.00 62.10 C ATOM 847 C ALA A 56 -0.454 -11.078 7.850 1.00 1.31 C ATOM 848 O ALA A 56 -0.573 -9.853 7.884 1.00 72.21 O ATOM 849 CB ALA A 56 -2.510 -11.946 6.721 1.00 23.32 C ATOM 0 H ALA A 56 -1.008 -13.932 7.112 1.00 21.14 H new ATOM 0 HA ALA A 56 -0.689 -11.379 5.754 1.00 62.10 H new ATOM 0 HB1 ALA A 56 -2.916 -10.934 6.733 1.00 23.32 H new ATOM 0 HB2 ALA A 56 -2.881 -12.475 5.843 1.00 23.32 H new ATOM 0 HB3 ALA A 56 -2.823 -12.474 7.622 1.00 23.32 H new ATOM 855 N LYS A 57 0.137 -11.774 8.815 1.00 34.02 N ATOM 856 CA LYS A 57 0.693 -11.124 9.997 1.00 3.13 C ATOM 857 C LYS A 57 1.812 -10.162 9.613 1.00 42.24 C ATOM 858 O LYS A 57 2.188 -9.290 10.395 1.00 22.04 O ATOM 859 CB LYS A 57 1.223 -12.172 10.978 1.00 24.43 C ATOM 860 CG LYS A 57 0.183 -12.650 11.977 1.00 31.02 C ATOM 861 CD LYS A 57 0.191 -14.164 12.108 1.00 71.52 C ATOM 862 CE LYS A 57 -1.200 -14.705 12.408 1.00 15.45 C ATOM 863 NZ LYS A 57 -1.428 -14.862 13.872 1.00 42.24 N ATOM 0 H LYS A 57 0.244 -12.788 8.802 1.00 34.02 H new ATOM 0 HA LYS A 57 -0.103 -10.555 10.476 1.00 3.13 H new ATOM 0 HB2 LYS A 57 1.595 -13.028 10.416 1.00 24.43 H new ATOM 0 HB3 LYS A 57 2.071 -11.754 11.521 1.00 24.43 H new ATOM 0 HG2 LYS A 57 0.377 -12.199 12.950 1.00 31.02 H new ATOM 0 HG3 LYS A 57 -0.806 -12.316 11.662 1.00 31.02 H new ATOM 0 HD2 LYS A 57 0.564 -14.608 11.185 1.00 71.52 H new ATOM 0 HD3 LYS A 57 0.876 -14.458 12.903 1.00 71.52 H new ATOM 0 HE2 LYS A 57 -1.950 -14.031 11.994 1.00 15.45 H new ATOM 0 HE3 LYS A 57 -1.330 -15.668 11.914 1.00 15.45 H new ATOM 0 HZ1 LYS A 57 -2.386 -15.232 14.036 1.00 42.24 H new ATOM 0 HZ2 LYS A 57 -0.729 -15.525 14.263 1.00 42.24 H new ATOM 0 HZ3 LYS A 57 -1.329 -13.938 14.340 1.00 42.24 H new ATOM 873 N GLU A 58 2.337 -10.325 8.402 1.00 52.04 N ATOM 874 CA GLU A 58 3.412 -9.468 7.915 1.00 41.44 C ATOM 875 C GLU A 58 2.861 -8.140 7.405 1.00 71.33 C ATOM 876 O GLU A 58 1.683 -8.035 7.064 1.00 42.33 O ATOM 877 CB GLU A 58 4.189 -10.171 6.801 1.00 5.11 C ATOM 878 CG GLU A 58 5.602 -10.564 7.199 1.00 52.31 C ATOM 879 CD GLU A 58 5.637 -11.454 8.427 1.00 43.34 C ATOM 880 OE1 GLU A 58 4.645 -12.174 8.664 1.00 24.31 O ATOM 881 OE2 GLU A 58 6.655 -11.429 9.149 1.00 41.10 O ATOM 0 H GLU A 58 2.036 -11.041 7.741 1.00 52.04 H new ATOM 0 HA GLU A 58 4.086 -9.266 8.747 1.00 41.44 H new ATOM 0 HB2 GLU A 58 3.644 -11.065 6.498 1.00 5.11 H new ATOM 0 HB3 GLU A 58 4.235 -9.515 5.932 1.00 5.11 H new ATOM 0 HG2 GLU A 58 6.079 -11.081 6.367 1.00 52.31 H new ATOM 0 HG3 GLU A 58 6.185 -9.663 7.391 1.00 52.31 H new ATOM 886 N TRP A 59 3.720 -7.129 7.357 1.00 10.41 N ATOM 887 CA TRP A 59 3.321 -5.807 6.890 1.00 43.45 C ATOM 888 C TRP A 59 4.508 -5.055 6.299 1.00 1.21 C ATOM 889 O TRP A 59 5.620 -5.118 6.826 1.00 45.24 O ATOM 890 CB TRP A 59 2.710 -5.000 8.037 1.00 41.40 C ATOM 891 CG TRP A 59 3.514 -5.064 9.300 1.00 3.11 C ATOM 892 CD1 TRP A 59 4.745 -4.513 9.517 1.00 35.43 C ATOM 893 CD2 TRP A 59 3.144 -5.717 10.519 1.00 30.20 C ATOM 894 NE1 TRP A 59 5.161 -4.784 10.798 1.00 4.23 N ATOM 895 CE2 TRP A 59 4.197 -5.521 11.433 1.00 14.02 C ATOM 896 CE3 TRP A 59 2.024 -6.446 10.928 1.00 32.24 C ATOM 897 CZ2 TRP A 59 4.163 -6.029 12.730 1.00 43.03 C ATOM 898 CZ3 TRP A 59 1.992 -6.950 12.215 1.00 60.35 C ATOM 899 CH2 TRP A 59 3.054 -6.740 13.104 1.00 41.43 C ATOM 0 H TRP A 59 4.699 -7.200 7.636 1.00 10.41 H new ATOM 0 HA TRP A 59 2.573 -5.938 6.108 1.00 43.45 H new ATOM 0 HB2 TRP A 59 2.613 -3.959 7.728 1.00 41.40 H new ATOM 0 HB3 TRP A 59 1.704 -5.369 8.236 1.00 41.40 H new ATOM 0 HD1 TRP A 59 5.308 -3.948 8.789 1.00 35.43 H new ATOM 0 HE1 TRP A 59 6.045 -4.485 11.210 1.00 4.23 H new ATOM 0 HE3 TRP A 59 1.199 -6.613 10.251 1.00 32.24 H new ATOM 0 HZ2 TRP A 59 4.982 -5.868 13.416 1.00 43.03 H new ATOM 0 HZ3 TRP A 59 1.132 -7.516 12.541 1.00 60.35 H new ATOM 0 HH2 TRP A 59 2.997 -7.146 14.103 1.00 41.43 H new ATOM 909 N LEU A 60 4.267 -4.344 5.202 1.00 11.11 N ATOM 910 CA LEU A 60 5.319 -3.580 4.540 1.00 74.43 C ATOM 911 C LEU A 60 5.023 -2.084 4.597 1.00 32.21 C ATOM 912 O LEU A 60 3.954 -1.638 4.182 1.00 2.11 O ATOM 913 CB LEU A 60 5.462 -4.027 3.084 1.00 32.23 C ATOM 914 CG LEU A 60 6.266 -3.099 2.173 1.00 22.22 C ATOM 915 CD1 LEU A 60 7.391 -3.863 1.492 1.00 52.42 C ATOM 916 CD2 LEU A 60 5.358 -2.450 1.139 1.00 71.34 C ATOM 0 H LEU A 60 3.353 -4.281 4.753 1.00 11.11 H new ATOM 0 HA LEU A 60 6.256 -3.767 5.065 1.00 74.43 H new ATOM 0 HB2 LEU A 60 5.931 -5.011 3.071 1.00 32.23 H new ATOM 0 HB3 LEU A 60 4.464 -4.144 2.661 1.00 32.23 H new ATOM 0 HG LEU A 60 6.707 -2.313 2.785 1.00 22.22 H new ATOM 0 HD11 LEU A 60 7.952 -3.186 0.848 1.00 52.42 H new ATOM 0 HD12 LEU A 60 8.057 -4.280 2.247 1.00 52.42 H new ATOM 0 HD13 LEU A 60 6.971 -4.671 0.892 1.00 52.42 H new ATOM 0 HD21 LEU A 60 5.947 -1.793 0.499 1.00 71.34 H new ATOM 0 HD22 LEU A 60 4.888 -3.223 0.531 1.00 71.34 H new ATOM 0 HD23 LEU A 60 4.587 -1.869 1.645 1.00 71.34 H new ATOM 927 N GLN A 61 5.977 -1.316 5.112 1.00 41.11 N ATOM 928 CA GLN A 61 5.819 0.129 5.221 1.00 63.53 C ATOM 929 C GLN A 61 6.929 0.857 4.470 1.00 61.31 C ATOM 930 O GLN A 61 8.021 0.321 4.284 1.00 24.30 O ATOM 931 CB GLN A 61 5.818 0.554 6.691 1.00 0.34 C ATOM 932 CG GLN A 61 7.081 0.159 7.439 1.00 3.33 C ATOM 933 CD GLN A 61 6.879 -1.055 8.325 1.00 23.14 C ATOM 934 OE1 GLN A 61 6.290 -0.961 9.401 1.00 60.43 O ATOM 935 NE2 GLN A 61 7.369 -2.205 7.875 1.00 42.12 N ATOM 0 H GLN A 61 6.868 -1.670 5.460 1.00 41.11 H new ATOM 0 HA GLN A 61 4.864 0.399 4.771 1.00 63.53 H new ATOM 0 HB2 GLN A 61 5.695 1.636 6.748 1.00 0.34 H new ATOM 0 HB3 GLN A 61 4.957 0.109 7.189 1.00 0.34 H new ATOM 0 HG2 GLN A 61 7.874 -0.048 6.721 1.00 3.33 H new ATOM 0 HG3 GLN A 61 7.415 0.998 8.049 1.00 3.33 H new ATOM 0 HE21 GLN A 61 7.851 -2.237 6.976 1.00 42.12 H new ATOM 0 HE22 GLN A 61 7.263 -3.056 8.428 1.00 42.12 H new ATOM 942 N VAL A 62 6.641 2.082 4.041 1.00 44.20 N ATOM 943 CA VAL A 62 7.615 2.883 3.310 1.00 12.21 C ATOM 944 C VAL A 62 7.949 4.166 4.064 1.00 62.52 C ATOM 945 O VAL A 62 7.055 4.878 4.524 1.00 63.33 O ATOM 946 CB VAL A 62 7.102 3.247 1.904 1.00 41.35 C ATOM 947 CG1 VAL A 62 8.120 4.104 1.168 1.00 51.34 C ATOM 948 CG2 VAL A 62 6.781 1.988 1.112 1.00 71.41 C ATOM 0 H VAL A 62 5.742 2.541 4.187 1.00 44.20 H new ATOM 0 HA VAL A 62 8.515 2.276 3.214 1.00 12.21 H new ATOM 0 HB VAL A 62 6.185 3.826 2.010 1.00 41.35 H new ATOM 0 HG11 VAL A 62 7.739 4.351 0.177 1.00 51.34 H new ATOM 0 HG12 VAL A 62 8.295 5.022 1.728 1.00 51.34 H new ATOM 0 HG13 VAL A 62 9.056 3.554 1.071 1.00 51.34 H new ATOM 0 HG21 VAL A 62 6.420 2.264 0.121 1.00 71.41 H new ATOM 0 HG22 VAL A 62 7.681 1.380 1.014 1.00 71.41 H new ATOM 0 HG23 VAL A 62 6.012 1.417 1.632 1.00 71.41 H new ATOM 958 N ASP A 63 9.239 4.454 4.188 1.00 72.11 N ATOM 959 CA ASP A 63 9.691 5.651 4.886 1.00 33.11 C ATOM 960 C ASP A 63 10.536 6.529 3.969 1.00 2.10 C ATOM 961 O ASP A 63 11.530 6.075 3.400 1.00 42.34 O ATOM 962 CB ASP A 63 10.496 5.270 6.130 1.00 54.10 C ATOM 963 CG ASP A 63 9.988 3.999 6.781 1.00 3.10 C ATOM 964 OD1 ASP A 63 10.229 2.909 6.220 1.00 33.25 O ATOM 965 OD2 ASP A 63 9.348 4.093 7.850 1.00 1.13 O ATOM 0 H ASP A 63 9.991 3.875 3.814 1.00 72.11 H new ATOM 0 HA ASP A 63 8.811 6.216 5.191 1.00 33.11 H new ATOM 0 HB2 ASP A 63 11.543 5.141 5.856 1.00 54.10 H new ATOM 0 HB3 ASP A 63 10.453 6.086 6.851 1.00 54.10 H new ATOM 969 N LEU A 64 10.134 7.788 3.827 1.00 23.22 N ATOM 970 CA LEU A 64 10.853 8.730 2.977 1.00 23.10 C ATOM 971 C LEU A 64 11.170 10.015 3.735 1.00 62.01 C ATOM 972 O LEU A 64 12.239 10.600 3.567 1.00 13.10 O ATOM 973 CB LEU A 64 10.031 9.050 1.728 1.00 11.52 C ATOM 974 CG LEU A 64 8.554 9.369 1.959 1.00 21.15 C ATOM 975 CD1 LEU A 64 8.027 10.282 0.863 1.00 74.24 C ATOM 976 CD2 LEU A 64 7.735 8.087 2.028 1.00 15.32 C ATOM 0 H LEU A 64 9.314 8.179 4.290 1.00 23.22 H new ATOM 0 HA LEU A 64 11.793 8.266 2.677 1.00 23.10 H new ATOM 0 HB2 LEU A 64 10.491 9.900 1.223 1.00 11.52 H new ATOM 0 HB3 LEU A 64 10.096 8.201 1.047 1.00 11.52 H new ATOM 0 HG LEU A 64 8.460 9.888 2.913 1.00 21.15 H new ATOM 0 HD11 LEU A 64 6.974 10.498 1.044 1.00 74.24 H new ATOM 0 HD12 LEU A 64 8.593 11.213 0.862 1.00 74.24 H new ATOM 0 HD13 LEU A 64 8.135 9.790 -0.104 1.00 74.24 H new ATOM 0 HD21 LEU A 64 6.686 8.334 2.193 1.00 15.32 H new ATOM 0 HD22 LEU A 64 7.836 7.540 1.091 1.00 15.32 H new ATOM 0 HD23 LEU A 64 8.096 7.469 2.850 1.00 15.32 H new ATOM 987 N GLY A 65 10.232 10.450 4.571 1.00 23.33 N ATOM 988 CA GLY A 65 10.430 11.661 5.344 1.00 51.31 C ATOM 989 C GLY A 65 10.783 12.852 4.474 1.00 14.23 C ATOM 990 O GLY A 65 11.399 13.811 4.941 1.00 51.05 O ATOM 0 H GLY A 65 9.338 9.984 4.726 1.00 23.33 H new ATOM 0 HA2 GLY A 65 9.523 11.882 5.907 1.00 51.31 H new ATOM 0 HA3 GLY A 65 11.225 11.498 6.072 1.00 51.31 H new ATOM 994 N THR A 66 10.394 12.791 3.205 1.00 52.51 N ATOM 995 CA THR A 66 10.676 13.871 2.267 1.00 13.52 C ATOM 996 C THR A 66 9.419 14.678 1.964 1.00 22.12 C ATOM 997 O THR A 66 9.481 15.719 1.311 1.00 54.40 O ATOM 998 CB THR A 66 11.257 13.330 0.946 1.00 53.22 C ATOM 999 OG1 THR A 66 11.722 14.416 0.136 1.00 71.24 O ATOM 1000 CG2 THR A 66 10.211 12.533 0.182 1.00 2.42 C ATOM 0 H THR A 66 9.883 12.005 2.803 1.00 52.51 H new ATOM 0 HA THR A 66 11.414 14.518 2.742 1.00 13.52 H new ATOM 0 HB THR A 66 12.091 12.670 1.184 1.00 53.22 H new ATOM 0 HG1 THR A 66 11.239 15.234 0.376 1.00 71.24 H new ATOM 0 HG21 THR A 66 10.644 12.161 -0.747 1.00 2.42 H new ATOM 0 HG22 THR A 66 9.879 11.692 0.790 1.00 2.42 H new ATOM 0 HG23 THR A 66 9.360 13.174 -0.046 1.00 2.42 H new ATOM 1008 N GLN A 67 8.279 14.190 2.442 1.00 72.11 N ATOM 1009 CA GLN A 67 7.007 14.867 2.221 1.00 71.52 C ATOM 1010 C GLN A 67 6.798 15.166 0.740 1.00 22.34 C ATOM 1011 O GLN A 67 6.965 16.302 0.297 1.00 64.43 O ATOM 1012 CB GLN A 67 6.949 16.166 3.028 1.00 24.02 C ATOM 1013 CG GLN A 67 5.537 16.597 3.388 1.00 23.30 C ATOM 1014 CD GLN A 67 5.468 17.320 4.719 1.00 13.42 C ATOM 1015 OE1 GLN A 67 5.213 18.524 4.771 1.00 14.54 O ATOM 1016 NE2 GLN A 67 5.697 16.589 5.804 1.00 64.25 N ATOM 0 H GLN A 67 8.210 13.329 2.984 1.00 72.11 H new ATOM 0 HA GLN A 67 6.209 14.203 2.555 1.00 71.52 H new ATOM 0 HB2 GLN A 67 7.526 16.041 3.944 1.00 24.02 H new ATOM 0 HB3 GLN A 67 7.428 16.961 2.456 1.00 24.02 H new ATOM 0 HG2 GLN A 67 5.149 17.248 2.605 1.00 23.30 H new ATOM 0 HG3 GLN A 67 4.891 15.720 3.422 1.00 23.30 H new ATOM 0 HE21 GLN A 67 5.905 15.594 5.714 1.00 64.25 H new ATOM 0 HE22 GLN A 67 5.665 17.022 6.727 1.00 64.25 H new ATOM 1023 N ARG A 68 6.433 14.138 -0.020 1.00 12.02 N ATOM 1024 CA ARG A 68 6.204 14.290 -1.451 1.00 11.22 C ATOM 1025 C ARG A 68 4.731 14.082 -1.791 1.00 21.34 C ATOM 1026 O ARG A 68 4.067 13.222 -1.212 1.00 73.03 O ATOM 1027 CB ARG A 68 7.065 13.297 -2.235 1.00 52.20 C ATOM 1028 CG ARG A 68 8.397 13.871 -2.688 1.00 54.55 C ATOM 1029 CD ARG A 68 8.205 14.993 -3.698 1.00 12.24 C ATOM 1030 NE ARG A 68 9.172 16.071 -3.507 1.00 42.54 N ATOM 1031 CZ ARG A 68 9.008 17.299 -3.989 1.00 31.34 C ATOM 1032 NH1 ARG A 68 7.921 17.602 -4.685 1.00 21.33 N ATOM 1033 NH2 ARG A 68 9.933 18.226 -3.774 1.00 3.51 N ATOM 0 H ARG A 68 6.290 13.191 0.332 1.00 12.02 H new ATOM 0 HA ARG A 68 6.484 15.305 -1.733 1.00 11.22 H new ATOM 0 HB2 ARG A 68 7.249 12.420 -1.615 1.00 52.20 H new ATOM 0 HB3 ARG A 68 6.509 12.958 -3.109 1.00 52.20 H new ATOM 0 HG2 ARG A 68 8.945 14.247 -1.824 1.00 54.55 H new ATOM 0 HG3 ARG A 68 9.003 13.081 -3.131 1.00 54.55 H new ATOM 0 HD2 ARG A 68 8.302 14.593 -4.707 1.00 12.24 H new ATOM 0 HD3 ARG A 68 7.195 15.392 -3.609 1.00 12.24 H new ATOM 0 HE ARG A 68 10.019 15.871 -2.975 1.00 42.54 H new ATOM 0 HH11 ARG A 68 7.208 16.892 -4.852 1.00 21.33 H new ATOM 0 HH12 ARG A 68 7.798 18.545 -5.054 1.00 21.33 H new ATOM 0 HH21 ARG A 68 10.770 17.996 -3.239 1.00 3.51 H new ATOM 0 HH22 ARG A 68 9.807 19.168 -4.144 1.00 3.51 H new ATOM 1044 N GLN A 69 4.229 14.875 -2.732 1.00 24.45 N ATOM 1045 CA GLN A 69 2.835 14.776 -3.147 1.00 50.25 C ATOM 1046 C GLN A 69 2.649 13.663 -4.173 1.00 60.43 C ATOM 1047 O GLN A 69 3.206 13.716 -5.269 1.00 2.12 O ATOM 1048 CB GLN A 69 2.359 16.108 -3.731 1.00 11.22 C ATOM 1049 CG GLN A 69 1.185 15.970 -4.686 1.00 14.41 C ATOM 1050 CD GLN A 69 0.458 17.281 -4.910 1.00 60.24 C ATOM 1051 OE1 GLN A 69 -0.645 17.487 -4.403 1.00 35.12 O ATOM 1052 NE2 GLN A 69 1.073 18.177 -5.674 1.00 54.10 N ATOM 0 H GLN A 69 4.766 15.592 -3.221 1.00 24.45 H new ATOM 0 HA GLN A 69 2.237 14.538 -2.267 1.00 50.25 H new ATOM 0 HB2 GLN A 69 2.076 16.772 -2.915 1.00 11.22 H new ATOM 0 HB3 GLN A 69 3.189 16.582 -4.255 1.00 11.22 H new ATOM 0 HG2 GLN A 69 1.543 15.589 -5.643 1.00 14.41 H new ATOM 0 HG3 GLN A 69 0.485 15.234 -4.291 1.00 14.41 H new ATOM 0 HE21 GLN A 69 1.987 17.965 -6.074 1.00 54.10 H new ATOM 0 HE22 GLN A 69 0.631 19.077 -5.860 1.00 54.10 H new ATOM 1059 N VAL A 70 1.861 12.656 -3.810 1.00 71.21 N ATOM 1060 CA VAL A 70 1.600 11.530 -4.698 1.00 2.43 C ATOM 1061 C VAL A 70 0.433 11.827 -5.633 1.00 24.14 C ATOM 1062 O VAL A 70 -0.602 12.340 -5.209 1.00 53.03 O ATOM 1063 CB VAL A 70 1.294 10.246 -3.903 1.00 40.21 C ATOM 1064 CG1 VAL A 70 2.484 9.857 -3.039 1.00 61.32 C ATOM 1065 CG2 VAL A 70 0.046 10.431 -3.055 1.00 72.41 C ATOM 0 H VAL A 70 1.392 12.597 -2.906 1.00 71.21 H new ATOM 0 HA VAL A 70 2.504 11.376 -5.287 1.00 2.43 H new ATOM 0 HB VAL A 70 1.109 9.436 -4.609 1.00 40.21 H new ATOM 0 HG11 VAL A 70 2.250 8.948 -2.485 1.00 61.32 H new ATOM 0 HG12 VAL A 70 3.353 9.681 -3.674 1.00 61.32 H new ATOM 0 HG13 VAL A 70 2.704 10.663 -2.338 1.00 61.32 H new ATOM 0 HG21 VAL A 70 -0.156 9.515 -2.500 1.00 72.41 H new ATOM 0 HG22 VAL A 70 0.200 11.253 -2.355 1.00 72.41 H new ATOM 0 HG23 VAL A 70 -0.802 10.658 -3.701 1.00 72.41 H new ATOM 1075 N THR A 71 0.607 11.498 -6.910 1.00 32.30 N ATOM 1076 CA THR A 71 -0.431 11.728 -7.907 1.00 74.24 C ATOM 1077 C THR A 71 -0.754 10.450 -8.672 1.00 34.42 C ATOM 1078 O THR A 71 -1.359 10.492 -9.742 1.00 4.41 O ATOM 1079 CB THR A 71 -0.015 12.822 -8.908 1.00 43.43 C ATOM 1080 OG1 THR A 71 0.958 13.687 -8.312 1.00 40.11 O ATOM 1081 CG2 THR A 71 -1.221 13.637 -9.352 1.00 42.32 C ATOM 0 H THR A 71 1.457 11.071 -7.278 1.00 32.30 H new ATOM 0 HA THR A 71 -1.319 12.058 -7.368 1.00 74.24 H new ATOM 0 HB THR A 71 0.418 12.337 -9.783 1.00 43.43 H new ATOM 0 HG1 THR A 71 0.521 14.508 -8.003 1.00 40.11 H new ATOM 0 HG21 THR A 71 -0.902 14.403 -10.059 1.00 42.32 H new ATOM 0 HG22 THR A 71 -1.947 12.981 -9.832 1.00 42.32 H new ATOM 0 HG23 THR A 71 -1.679 14.112 -8.484 1.00 42.32 H new ATOM 1089 N GLY A 72 -0.346 9.314 -8.115 1.00 0.45 N ATOM 1090 CA GLY A 72 -0.601 8.039 -8.759 1.00 20.15 C ATOM 1091 C GLY A 72 0.329 6.947 -8.271 1.00 25.55 C ATOM 1092 O GLY A 72 1.449 7.222 -7.839 1.00 61.13 O ATOM 0 H GLY A 72 0.156 9.254 -7.229 1.00 0.45 H new ATOM 0 HA2 GLY A 72 -1.633 7.742 -8.574 1.00 20.15 H new ATOM 0 HA3 GLY A 72 -0.490 8.152 -9.837 1.00 20.15 H new ATOM 1096 N ILE A 73 -0.136 5.703 -8.336 1.00 30.31 N ATOM 1097 CA ILE A 73 0.662 4.566 -7.895 1.00 2.04 C ATOM 1098 C ILE A 73 0.382 3.333 -8.749 1.00 51.14 C ATOM 1099 O ILE A 73 -0.619 3.277 -9.465 1.00 72.41 O ATOM 1100 CB ILE A 73 0.390 4.225 -6.418 1.00 60.22 C ATOM 1101 CG1 ILE A 73 -0.946 3.492 -6.278 1.00 4.33 C ATOM 1102 CG2 ILE A 73 0.397 5.490 -5.573 1.00 65.03 C ATOM 1103 CD1 ILE A 73 -2.132 4.301 -6.756 1.00 32.53 C ATOM 0 H ILE A 73 -1.061 5.458 -8.690 1.00 30.31 H new ATOM 0 HA ILE A 73 1.708 4.853 -8.006 1.00 2.04 H new ATOM 0 HB ILE A 73 1.182 3.568 -6.060 1.00 60.22 H new ATOM 0 HG12 ILE A 73 -0.901 2.560 -6.842 1.00 4.33 H new ATOM 0 HG13 ILE A 73 -1.097 3.225 -5.232 1.00 4.33 H new ATOM 0 HG21 ILE A 73 0.203 5.233 -4.532 1.00 65.03 H new ATOM 0 HG22 ILE A 73 1.370 5.975 -5.652 1.00 65.03 H new ATOM 0 HG23 ILE A 73 -0.377 6.170 -5.929 1.00 65.03 H new ATOM 0 HD11 ILE A 73 -3.045 3.719 -6.627 1.00 32.53 H new ATOM 0 HD12 ILE A 73 -2.203 5.221 -6.176 1.00 32.53 H new ATOM 0 HD13 ILE A 73 -2.004 4.546 -7.810 1.00 32.53 H new ATOM 1114 N ILE A 74 1.270 2.349 -8.667 1.00 5.40 N ATOM 1115 CA ILE A 74 1.116 1.117 -9.431 1.00 51.12 C ATOM 1116 C ILE A 74 1.540 -0.096 -8.609 1.00 14.02 C ATOM 1117 O ILE A 74 2.556 -0.064 -7.914 1.00 35.33 O ATOM 1118 CB ILE A 74 1.939 1.154 -10.732 1.00 51.02 C ATOM 1119 CG1 ILE A 74 1.986 -0.236 -11.372 1.00 75.33 C ATOM 1120 CG2 ILE A 74 3.346 1.664 -10.455 1.00 71.54 C ATOM 1121 CD1 ILE A 74 0.619 -0.800 -11.692 1.00 11.15 C ATOM 0 H ILE A 74 2.103 2.380 -8.080 1.00 5.40 H new ATOM 0 HA ILE A 74 0.059 1.032 -9.682 1.00 51.12 H new ATOM 0 HB ILE A 74 1.457 1.838 -11.430 1.00 51.02 H new ATOM 0 HG12 ILE A 74 2.573 -0.185 -12.289 1.00 75.33 H new ATOM 0 HG13 ILE A 74 2.504 -0.920 -10.699 1.00 75.33 H new ATOM 0 HG21 ILE A 74 3.915 1.684 -11.384 1.00 71.54 H new ATOM 0 HG22 ILE A 74 3.293 2.670 -10.040 1.00 71.54 H new ATOM 0 HG23 ILE A 74 3.839 1.003 -9.742 1.00 71.54 H new ATOM 0 HD11 ILE A 74 0.729 -1.786 -12.143 1.00 11.15 H new ATOM 0 HD12 ILE A 74 0.036 -0.883 -10.775 1.00 11.15 H new ATOM 0 HD13 ILE A 74 0.106 -0.137 -12.389 1.00 11.15 H new ATOM 1132 N THR A 75 0.756 -1.165 -8.694 1.00 61.21 N ATOM 1133 CA THR A 75 1.049 -2.389 -7.959 1.00 23.15 C ATOM 1134 C THR A 75 1.052 -3.600 -8.886 1.00 33.42 C ATOM 1135 O THR A 75 0.239 -3.690 -9.805 1.00 30.34 O ATOM 1136 CB THR A 75 0.030 -2.625 -6.829 1.00 54.11 C ATOM 1137 OG1 THR A 75 0.338 -3.840 -6.136 1.00 53.34 O ATOM 1138 CG2 THR A 75 -1.385 -2.693 -7.382 1.00 25.43 C ATOM 0 H THR A 75 -0.088 -1.208 -9.265 1.00 61.21 H new ATOM 0 HA THR A 75 2.040 -2.265 -7.523 1.00 23.15 H new ATOM 0 HB THR A 75 0.091 -1.787 -6.134 1.00 54.11 H new ATOM 0 HG1 THR A 75 -0.314 -3.981 -5.418 1.00 53.34 H new ATOM 0 HG21 THR A 75 -2.087 -2.860 -6.565 1.00 25.43 H new ATOM 0 HG22 THR A 75 -1.626 -1.755 -7.881 1.00 25.43 H new ATOM 0 HG23 THR A 75 -1.457 -3.513 -8.096 1.00 25.43 H new ATOM 1146 N GLN A 76 1.971 -4.528 -8.636 1.00 74.23 N ATOM 1147 CA GLN A 76 2.078 -5.733 -9.449 1.00 61.31 C ATOM 1148 C GLN A 76 2.613 -6.900 -8.625 1.00 43.54 C ATOM 1149 O GLN A 76 3.385 -6.708 -7.687 1.00 2.32 O ATOM 1150 CB GLN A 76 2.989 -5.483 -10.652 1.00 20.41 C ATOM 1151 CG GLN A 76 2.238 -5.082 -11.911 1.00 51.54 C ATOM 1152 CD GLN A 76 3.096 -4.280 -12.871 1.00 43.23 C ATOM 1153 OE1 GLN A 76 3.214 -4.621 -14.049 1.00 24.24 O ATOM 1154 NE2 GLN A 76 3.698 -3.208 -12.373 1.00 14.33 N ATOM 0 H GLN A 76 2.651 -4.468 -7.878 1.00 74.23 H new ATOM 0 HA GLN A 76 1.080 -5.990 -9.805 1.00 61.31 H new ATOM 0 HB2 GLN A 76 3.703 -4.699 -10.400 1.00 20.41 H new ATOM 0 HB3 GLN A 76 3.565 -6.386 -10.855 1.00 20.41 H new ATOM 0 HG2 GLN A 76 1.876 -5.978 -12.415 1.00 51.54 H new ATOM 0 HG3 GLN A 76 1.362 -4.495 -11.636 1.00 51.54 H new ATOM 0 HE21 GLN A 76 3.572 -2.963 -11.391 1.00 14.33 H new ATOM 0 HE22 GLN A 76 4.287 -2.629 -12.972 1.00 14.33 H new ATOM 1161 N GLY A 77 2.195 -8.111 -8.982 1.00 2.45 N ATOM 1162 CA GLY A 77 2.642 -9.290 -8.265 1.00 4.34 C ATOM 1163 C GLY A 77 3.919 -9.871 -8.842 1.00 61.24 C ATOM 1164 O GLY A 77 4.509 -9.301 -9.758 1.00 43.53 O ATOM 0 H GLY A 77 1.555 -8.296 -9.755 1.00 2.45 H new ATOM 0 HA2 GLY A 77 2.803 -9.035 -7.218 1.00 4.34 H new ATOM 0 HA3 GLY A 77 1.858 -10.047 -8.292 1.00 4.34 H new ATOM 1168 N ALA A 78 4.346 -11.008 -8.303 1.00 31.21 N ATOM 1169 CA ALA A 78 5.559 -11.666 -8.770 1.00 5.33 C ATOM 1170 C ALA A 78 5.337 -13.164 -8.953 1.00 61.45 C ATOM 1171 O ALA A 78 4.330 -13.711 -8.502 1.00 55.42 O ATOM 1172 CB ALA A 78 6.703 -11.416 -7.799 1.00 34.40 C ATOM 0 H ALA A 78 3.869 -11.492 -7.542 1.00 31.21 H new ATOM 0 HA ALA A 78 5.820 -11.243 -9.740 1.00 5.33 H new ATOM 0 HB1 ALA A 78 7.603 -11.914 -8.161 1.00 34.40 H new ATOM 0 HB2 ALA A 78 6.887 -10.344 -7.722 1.00 34.40 H new ATOM 0 HB3 ALA A 78 6.440 -11.811 -6.818 1.00 34.40 H new ATOM 1178 N ARG A 79 6.281 -13.820 -9.619 1.00 24.32 N ATOM 1179 CA ARG A 79 6.186 -15.255 -9.863 1.00 53.22 C ATOM 1180 C ARG A 79 7.485 -15.959 -9.481 1.00 43.31 C ATOM 1181 O ARG A 79 8.564 -15.370 -9.545 1.00 54.02 O ATOM 1182 CB ARG A 79 5.861 -15.523 -11.334 1.00 12.42 C ATOM 1183 CG ARG A 79 6.932 -15.028 -12.294 1.00 34.52 C ATOM 1184 CD ARG A 79 6.386 -14.871 -13.703 1.00 41.33 C ATOM 1185 NE ARG A 79 7.018 -13.763 -14.415 1.00 4.55 N ATOM 1186 CZ ARG A 79 6.944 -13.597 -15.731 1.00 14.15 C ATOM 1187 NH1 ARG A 79 6.268 -14.461 -16.474 1.00 41.32 N ATOM 1188 NH2 ARG A 79 7.547 -12.563 -16.305 1.00 65.52 N ATOM 0 H ARG A 79 7.120 -13.382 -9.999 1.00 24.32 H new ATOM 0 HA ARG A 79 5.382 -15.651 -9.242 1.00 53.22 H new ATOM 0 HB2 ARG A 79 5.723 -16.595 -11.478 1.00 12.42 H new ATOM 0 HB3 ARG A 79 4.914 -15.044 -11.581 1.00 12.42 H new ATOM 0 HG2 ARG A 79 7.321 -14.072 -11.945 1.00 34.52 H new ATOM 0 HG3 ARG A 79 7.767 -15.729 -12.302 1.00 34.52 H new ATOM 0 HD2 ARG A 79 6.544 -15.796 -14.258 1.00 41.33 H new ATOM 0 HD3 ARG A 79 5.309 -14.706 -13.658 1.00 41.33 H new ATOM 0 HE ARG A 79 7.545 -13.079 -13.872 1.00 4.55 H new ATOM 0 HH11 ARG A 79 5.803 -15.256 -16.036 1.00 41.32 H new ATOM 0 HH12 ARG A 79 6.213 -14.331 -17.484 1.00 41.32 H new ATOM 0 HH21 ARG A 79 8.067 -11.896 -15.736 1.00 65.52 H new ATOM 0 HH22 ARG A 79 7.490 -12.436 -17.315 1.00 65.52 H new ATOM 1199 N ASP A 80 7.373 -17.221 -9.084 1.00 32.10 N ATOM 1200 CA ASP A 80 8.537 -18.006 -8.692 1.00 13.34 C ATOM 1201 C ASP A 80 8.817 -19.110 -9.708 1.00 73.54 C ATOM 1202 O ASP A 80 8.775 -20.296 -9.378 1.00 52.45 O ATOM 1203 CB ASP A 80 8.326 -18.614 -7.304 1.00 22.15 C ATOM 1204 CG ASP A 80 9.531 -19.402 -6.829 1.00 75.30 C ATOM 1205 OD1 ASP A 80 10.641 -19.161 -7.347 1.00 12.41 O ATOM 1206 OD2 ASP A 80 9.364 -20.259 -5.935 1.00 41.14 O ATOM 0 H ASP A 80 6.487 -17.723 -9.025 1.00 32.10 H new ATOM 0 HA ASP A 80 9.399 -17.340 -8.661 1.00 13.34 H new ATOM 0 HB2 ASP A 80 8.111 -17.818 -6.591 1.00 22.15 H new ATOM 0 HB3 ASP A 80 7.454 -19.267 -7.325 1.00 22.15 H new ATOM 1210 N PHE A 81 9.100 -18.711 -10.943 1.00 5.23 N ATOM 1211 CA PHE A 81 9.384 -19.667 -12.008 1.00 72.31 C ATOM 1212 C PHE A 81 8.289 -20.727 -12.093 1.00 13.32 C ATOM 1213 O PHE A 81 8.382 -21.782 -11.466 1.00 12.42 O ATOM 1214 CB PHE A 81 10.741 -20.334 -11.775 1.00 65.33 C ATOM 1215 CG PHE A 81 11.894 -19.373 -11.801 1.00 5.01 C ATOM 1216 CD1 PHE A 81 12.137 -18.533 -10.727 1.00 15.23 C ATOM 1217 CD2 PHE A 81 12.736 -19.311 -12.900 1.00 52.24 C ATOM 1218 CE1 PHE A 81 13.198 -17.646 -10.750 1.00 21.23 C ATOM 1219 CE2 PHE A 81 13.799 -18.428 -12.928 1.00 52.25 C ATOM 1220 CZ PHE A 81 14.030 -17.594 -11.850 1.00 64.00 C ATOM 0 H PHE A 81 9.139 -17.733 -11.232 1.00 5.23 H new ATOM 0 HA PHE A 81 9.413 -19.124 -12.953 1.00 72.31 H new ATOM 0 HB2 PHE A 81 10.725 -20.844 -10.812 1.00 65.33 H new ATOM 0 HB3 PHE A 81 10.897 -21.097 -12.537 1.00 65.33 H new ATOM 0 HD1 PHE A 81 11.491 -18.571 -9.862 1.00 15.23 H new ATOM 0 HD2 PHE A 81 12.559 -19.960 -13.745 1.00 52.24 H new ATOM 0 HE1 PHE A 81 13.375 -16.994 -9.907 1.00 21.23 H new ATOM 0 HE2 PHE A 81 14.448 -18.390 -13.790 1.00 52.25 H new ATOM 0 HZ PHE A 81 14.860 -16.903 -11.869 1.00 64.00 H new ATOM 1229 N GLY A 82 7.252 -20.438 -12.872 1.00 40.51 N ATOM 1230 CA GLY A 82 6.154 -21.375 -13.025 1.00 35.33 C ATOM 1231 C GLY A 82 4.992 -21.061 -12.104 1.00 22.01 C ATOM 1232 O GLY A 82 3.849 -20.955 -12.550 1.00 61.23 O ATOM 0 H GLY A 82 7.152 -19.571 -13.400 1.00 40.51 H new ATOM 0 HA2 GLY A 82 5.809 -21.360 -14.059 1.00 35.33 H new ATOM 0 HA3 GLY A 82 6.511 -22.385 -12.823 1.00 35.33 H new ATOM 1236 N HIS A 83 5.282 -20.913 -10.815 1.00 10.41 N ATOM 1237 CA HIS A 83 4.252 -20.610 -9.830 1.00 72.32 C ATOM 1238 C HIS A 83 3.983 -19.110 -9.768 1.00 75.11 C ATOM 1239 O HIS A 83 4.875 -18.322 -9.451 1.00 61.34 O ATOM 1240 CB HIS A 83 4.669 -21.123 -8.450 1.00 54.44 C ATOM 1241 CG HIS A 83 3.800 -22.229 -7.935 1.00 73.10 C ATOM 1242 ND1 HIS A 83 2.424 -22.210 -8.027 1.00 35.05 N ATOM 1243 CD2 HIS A 83 4.120 -23.392 -7.320 1.00 53.25 C ATOM 1244 CE1 HIS A 83 1.935 -23.313 -7.489 1.00 21.41 C ATOM 1245 NE2 HIS A 83 2.943 -24.047 -7.053 1.00 42.02 N ATOM 0 H HIS A 83 6.222 -20.998 -10.429 1.00 10.41 H new ATOM 0 HA HIS A 83 3.334 -21.113 -10.135 1.00 72.32 H new ATOM 0 HB2 HIS A 83 5.700 -21.474 -8.498 1.00 54.44 H new ATOM 0 HB3 HIS A 83 4.647 -20.295 -7.742 1.00 54.44 H new ATOM 0 HD2 HIS A 83 5.115 -23.740 -7.084 1.00 53.25 H new ATOM 0 HE1 HIS A 83 0.889 -23.571 -7.418 1.00 21.41 H new ATOM 0 HE2 HIS A 83 2.860 -24.953 -6.593 1.00 42.02 H new ATOM 1252 N ILE A 84 2.749 -18.721 -10.072 1.00 42.12 N ATOM 1253 CA ILE A 84 2.364 -17.316 -10.051 1.00 75.44 C ATOM 1254 C ILE A 84 1.772 -16.929 -8.700 1.00 74.03 C ATOM 1255 O ILE A 84 0.822 -17.551 -8.227 1.00 73.31 O ATOM 1256 CB ILE A 84 1.341 -16.995 -11.157 1.00 10.42 C ATOM 1257 CG1 ILE A 84 1.939 -17.289 -12.534 1.00 63.13 C ATOM 1258 CG2 ILE A 84 0.898 -15.543 -11.065 1.00 13.25 C ATOM 1259 CD1 ILE A 84 1.159 -18.318 -13.324 1.00 10.30 C ATOM 0 H ILE A 84 1.999 -19.360 -10.336 1.00 42.12 H new ATOM 0 HA ILE A 84 3.271 -16.738 -10.228 1.00 75.44 H new ATOM 0 HB ILE A 84 0.466 -17.630 -11.018 1.00 10.42 H new ATOM 0 HG12 ILE A 84 1.986 -16.362 -13.106 1.00 63.13 H new ATOM 0 HG13 ILE A 84 2.964 -17.639 -12.409 1.00 63.13 H new ATOM 0 HG21 ILE A 84 0.175 -15.332 -11.853 1.00 13.25 H new ATOM 0 HG22 ILE A 84 0.438 -15.364 -10.093 1.00 13.25 H new ATOM 0 HG23 ILE A 84 1.763 -14.890 -11.182 1.00 13.25 H new ATOM 0 HD11 ILE A 84 1.640 -18.477 -14.289 1.00 10.30 H new ATOM 0 HD12 ILE A 84 1.134 -19.258 -12.772 1.00 10.30 H new ATOM 0 HD13 ILE A 84 0.141 -17.962 -13.480 1.00 10.30 H new ATOM 1270 N GLN A 85 2.340 -15.896 -8.085 1.00 22.10 N ATOM 1271 CA GLN A 85 1.868 -15.425 -6.788 1.00 61.13 C ATOM 1272 C GLN A 85 1.480 -13.952 -6.853 1.00 54.21 C ATOM 1273 O GLN A 85 1.980 -13.204 -7.693 1.00 12.54 O ATOM 1274 CB GLN A 85 2.944 -15.636 -5.722 1.00 50.50 C ATOM 1275 CG GLN A 85 3.585 -17.013 -5.769 1.00 10.43 C ATOM 1276 CD GLN A 85 5.070 -16.955 -6.069 1.00 45.11 C ATOM 1277 OE1 GLN A 85 5.477 -16.627 -7.184 1.00 10.40 O ATOM 1278 NE2 GLN A 85 5.889 -17.274 -5.074 1.00 22.54 N ATOM 0 H GLN A 85 3.127 -15.370 -8.464 1.00 22.10 H new ATOM 0 HA GLN A 85 0.984 -16.003 -6.519 1.00 61.13 H new ATOM 0 HB2 GLN A 85 3.719 -14.879 -5.845 1.00 50.50 H new ATOM 0 HB3 GLN A 85 2.503 -15.483 -4.737 1.00 50.50 H new ATOM 0 HG2 GLN A 85 3.430 -17.514 -4.814 1.00 10.43 H new ATOM 0 HG3 GLN A 85 3.088 -17.615 -6.529 1.00 10.43 H new ATOM 0 HE21 GLN A 85 5.509 -17.540 -4.166 1.00 22.54 H new ATOM 0 HE22 GLN A 85 6.899 -17.253 -5.218 1.00 22.54 H new ATOM 1285 N TYR A 86 0.586 -13.540 -5.960 1.00 11.12 N ATOM 1286 CA TYR A 86 0.130 -12.156 -5.917 1.00 22.22 C ATOM 1287 C TYR A 86 -0.848 -11.941 -4.766 1.00 33.21 C ATOM 1288 O TYR A 86 -1.677 -12.801 -4.471 1.00 52.03 O ATOM 1289 CB TYR A 86 -0.532 -11.775 -7.242 1.00 51.23 C ATOM 1290 CG TYR A 86 -1.693 -12.667 -7.618 1.00 74.05 C ATOM 1291 CD1 TYR A 86 -1.479 -13.908 -8.203 1.00 65.45 C ATOM 1292 CD2 TYR A 86 -3.004 -12.267 -7.389 1.00 20.22 C ATOM 1293 CE1 TYR A 86 -2.538 -14.727 -8.548 1.00 2.25 C ATOM 1294 CE2 TYR A 86 -4.068 -13.081 -7.730 1.00 52.22 C ATOM 1295 CZ TYR A 86 -3.829 -14.309 -8.309 1.00 42.24 C ATOM 1296 OH TYR A 86 -4.887 -15.120 -8.651 1.00 5.51 O ATOM 0 H TYR A 86 0.163 -14.145 -5.256 1.00 11.12 H new ATOM 0 HA TYR A 86 0.999 -11.518 -5.756 1.00 22.22 H new ATOM 0 HB2 TYR A 86 -0.882 -10.744 -7.180 1.00 51.23 H new ATOM 0 HB3 TYR A 86 0.215 -11.811 -8.035 1.00 51.23 H new ATOM 0 HD1 TYR A 86 -0.468 -14.239 -8.392 1.00 65.45 H new ATOM 0 HD2 TYR A 86 -3.195 -11.305 -6.937 1.00 20.22 H new ATOM 0 HE1 TYR A 86 -2.354 -15.689 -9.002 1.00 2.25 H new ATOM 0 HE2 TYR A 86 -5.081 -12.757 -7.544 1.00 52.22 H new ATOM 0 HH TYR A 86 -4.995 -15.820 -7.973 1.00 5.51 H new ATOM 1305 N VAL A 87 -0.745 -10.783 -4.119 1.00 22.25 N ATOM 1306 CA VAL A 87 -1.620 -10.452 -3.001 1.00 53.43 C ATOM 1307 C VAL A 87 -2.917 -9.816 -3.489 1.00 21.32 C ATOM 1308 O VAL A 87 -2.935 -9.115 -4.499 1.00 10.50 O ATOM 1309 CB VAL A 87 -0.930 -9.492 -2.014 1.00 30.12 C ATOM 1310 CG1 VAL A 87 -1.766 -9.331 -0.753 1.00 4.21 C ATOM 1311 CG2 VAL A 87 0.468 -9.988 -1.678 1.00 75.43 C ATOM 0 H VAL A 87 -0.064 -10.059 -4.351 1.00 22.25 H new ATOM 0 HA VAL A 87 -1.847 -11.387 -2.488 1.00 53.43 H new ATOM 0 HB VAL A 87 -0.839 -8.515 -2.488 1.00 30.12 H new ATOM 0 HG11 VAL A 87 -1.263 -8.649 -0.067 1.00 4.21 H new ATOM 0 HG12 VAL A 87 -2.744 -8.927 -1.014 1.00 4.21 H new ATOM 0 HG13 VAL A 87 -1.891 -10.302 -0.273 1.00 4.21 H new ATOM 0 HG21 VAL A 87 0.941 -9.298 -0.980 1.00 75.43 H new ATOM 0 HG22 VAL A 87 0.404 -10.977 -1.224 1.00 75.43 H new ATOM 0 HG23 VAL A 87 1.063 -10.046 -2.590 1.00 75.43 H new ATOM 1321 N ALA A 88 -4.002 -10.067 -2.763 1.00 31.35 N ATOM 1322 CA ALA A 88 -5.304 -9.518 -3.120 1.00 53.42 C ATOM 1323 C ALA A 88 -5.760 -8.481 -2.100 1.00 53.41 C ATOM 1324 O ALA A 88 -5.692 -7.277 -2.350 1.00 41.55 O ATOM 1325 CB ALA A 88 -6.332 -10.632 -3.239 1.00 61.43 C ATOM 0 H ALA A 88 -4.005 -10.647 -1.924 1.00 31.35 H new ATOM 0 HA ALA A 88 -5.209 -9.022 -4.086 1.00 53.42 H new ATOM 0 HB1 ALA A 88 -7.300 -10.207 -3.506 1.00 61.43 H new ATOM 0 HB2 ALA A 88 -6.019 -11.335 -4.011 1.00 61.43 H new ATOM 0 HB3 ALA A 88 -6.415 -11.153 -2.285 1.00 61.43 H new ATOM 1331 N SER A 89 -6.226 -8.955 -0.949 1.00 75.54 N ATOM 1332 CA SER A 89 -6.698 -8.066 0.108 1.00 24.43 C ATOM 1333 C SER A 89 -5.529 -7.521 0.921 1.00 55.02 C ATOM 1334 O SER A 89 -4.716 -8.280 1.449 1.00 24.03 O ATOM 1335 CB SER A 89 -7.671 -8.807 1.027 1.00 65.22 C ATOM 1336 OG SER A 89 -8.629 -7.919 1.577 1.00 35.51 O ATOM 0 H SER A 89 -6.287 -9.948 -0.724 1.00 75.54 H new ATOM 0 HA SER A 89 -7.215 -7.228 -0.359 1.00 24.43 H new ATOM 0 HB2 SER A 89 -8.178 -9.593 0.467 1.00 65.22 H new ATOM 0 HB3 SER A 89 -7.118 -9.294 1.830 1.00 65.22 H new ATOM 0 HG SER A 89 -9.240 -8.417 2.159 1.00 35.51 H new ATOM 1341 N TYR A 90 -5.451 -6.198 1.019 1.00 3.53 N ATOM 1342 CA TYR A 90 -4.381 -5.549 1.765 1.00 12.23 C ATOM 1343 C TYR A 90 -4.769 -4.123 2.147 1.00 44.24 C ATOM 1344 O TYR A 90 -5.335 -3.384 1.342 1.00 43.54 O ATOM 1345 CB TYR A 90 -3.091 -5.534 0.942 1.00 21.41 C ATOM 1346 CG TYR A 90 -3.135 -4.586 -0.235 1.00 61.32 C ATOM 1347 CD1 TYR A 90 -2.768 -3.254 -0.094 1.00 10.22 C ATOM 1348 CD2 TYR A 90 -3.545 -5.023 -1.490 1.00 34.50 C ATOM 1349 CE1 TYR A 90 -2.807 -2.384 -1.166 1.00 12.31 C ATOM 1350 CE2 TYR A 90 -3.587 -4.160 -2.568 1.00 21.41 C ATOM 1351 CZ TYR A 90 -3.218 -2.842 -2.402 1.00 35.25 C ATOM 1352 OH TYR A 90 -3.257 -1.979 -3.472 1.00 0.41 O ATOM 0 H TYR A 90 -6.117 -5.555 0.591 1.00 3.53 H new ATOM 0 HA TYR A 90 -4.215 -6.119 2.679 1.00 12.23 H new ATOM 0 HB2 TYR A 90 -2.260 -5.257 1.590 1.00 21.41 H new ATOM 0 HB3 TYR A 90 -2.890 -6.542 0.579 1.00 21.41 H new ATOM 0 HD1 TYR A 90 -2.446 -2.892 0.871 1.00 10.22 H new ATOM 0 HD2 TYR A 90 -3.835 -6.055 -1.624 1.00 34.50 H new ATOM 0 HE1 TYR A 90 -2.518 -1.351 -1.038 1.00 12.31 H new ATOM 0 HE2 TYR A 90 -3.907 -4.516 -3.536 1.00 21.41 H new ATOM 0 HH TYR A 90 -3.567 -2.459 -4.268 1.00 0.41 H new ATOM 1361 N LYS A 91 -4.461 -3.744 3.382 1.00 72.23 N ATOM 1362 CA LYS A 91 -4.776 -2.407 3.874 1.00 50.32 C ATOM 1363 C LYS A 91 -3.584 -1.471 3.702 1.00 75.55 C ATOM 1364 O LYS A 91 -2.573 -1.603 4.392 1.00 65.42 O ATOM 1365 CB LYS A 91 -5.184 -2.466 5.347 1.00 31.53 C ATOM 1366 CG LYS A 91 -6.582 -1.936 5.612 1.00 64.23 C ATOM 1367 CD LYS A 91 -6.551 -0.688 6.479 1.00 53.42 C ATOM 1368 CE LYS A 91 -7.937 -0.333 6.996 1.00 13.15 C ATOM 1369 NZ LYS A 91 -8.108 -0.710 8.426 1.00 4.02 N ATOM 0 H LYS A 91 -3.993 -4.344 4.062 1.00 72.23 H new ATOM 0 HA LYS A 91 -5.609 -2.018 3.289 1.00 50.32 H new ATOM 0 HB2 LYS A 91 -5.125 -3.499 5.691 1.00 31.53 H new ATOM 0 HB3 LYS A 91 -4.469 -1.892 5.937 1.00 31.53 H new ATOM 0 HG2 LYS A 91 -7.072 -1.710 4.665 1.00 64.23 H new ATOM 0 HG3 LYS A 91 -7.177 -2.706 6.103 1.00 64.23 H new ATOM 0 HD2 LYS A 91 -5.877 -0.845 7.321 1.00 53.42 H new ATOM 0 HD3 LYS A 91 -6.152 0.147 5.903 1.00 53.42 H new ATOM 0 HE2 LYS A 91 -8.105 0.738 6.880 1.00 13.15 H new ATOM 0 HE3 LYS A 91 -8.690 -0.841 6.394 1.00 13.15 H new ATOM 0 HZ1 LYS A 91 -9.065 -0.452 8.741 1.00 4.02 H new ATOM 0 HZ2 LYS A 91 -7.973 -1.736 8.533 1.00 4.02 H new ATOM 0 HZ3 LYS A 91 -7.406 -0.206 9.004 1.00 4.02 H new ATOM 1379 N VAL A 92 -3.710 -0.522 2.779 1.00 65.51 N ATOM 1380 CA VAL A 92 -2.645 0.439 2.520 1.00 21.05 C ATOM 1381 C VAL A 92 -3.001 1.816 3.067 1.00 64.05 C ATOM 1382 O VAL A 92 -3.955 2.448 2.612 1.00 52.20 O ATOM 1383 CB VAL A 92 -2.352 0.558 1.013 1.00 5.45 C ATOM 1384 CG1 VAL A 92 -3.630 0.844 0.240 1.00 32.32 C ATOM 1385 CG2 VAL A 92 -1.311 1.636 0.756 1.00 54.24 C ATOM 0 H VAL A 92 -4.539 -0.399 2.198 1.00 65.51 H new ATOM 0 HA VAL A 92 -1.755 0.069 3.028 1.00 21.05 H new ATOM 0 HB VAL A 92 -1.951 -0.393 0.663 1.00 5.45 H new ATOM 0 HG11 VAL A 92 -3.402 0.925 -0.823 1.00 32.32 H new ATOM 0 HG12 VAL A 92 -4.340 0.032 0.398 1.00 32.32 H new ATOM 0 HG13 VAL A 92 -4.065 1.780 0.590 1.00 32.32 H new ATOM 0 HG21 VAL A 92 -1.116 1.706 -0.314 1.00 54.24 H new ATOM 0 HG22 VAL A 92 -1.681 2.594 1.121 1.00 54.24 H new ATOM 0 HG23 VAL A 92 -0.388 1.382 1.277 1.00 54.24 H new ATOM 1395 N ALA A 93 -2.230 2.276 4.046 1.00 74.04 N ATOM 1396 CA ALA A 93 -2.463 3.580 4.654 1.00 31.34 C ATOM 1397 C ALA A 93 -1.262 4.500 4.456 1.00 53.02 C ATOM 1398 O ALA A 93 -0.114 4.058 4.506 1.00 1.24 O ATOM 1399 CB ALA A 93 -2.771 3.425 6.135 1.00 64.45 C ATOM 0 H ALA A 93 -1.438 1.765 4.435 1.00 74.04 H new ATOM 0 HA ALA A 93 -3.322 4.034 4.161 1.00 31.34 H new ATOM 0 HB1 ALA A 93 -2.943 4.407 6.576 1.00 64.45 H new ATOM 0 HB2 ALA A 93 -3.663 2.811 6.259 1.00 64.45 H new ATOM 0 HB3 ALA A 93 -1.928 2.946 6.634 1.00 64.45 H new ATOM 1405 N HIS A 94 -1.535 5.781 4.231 1.00 50.24 N ATOM 1406 CA HIS A 94 -0.477 6.764 4.025 1.00 73.23 C ATOM 1407 C HIS A 94 -0.513 7.836 5.110 1.00 54.10 C ATOM 1408 O HIS A 94 -1.584 8.248 5.554 1.00 62.33 O ATOM 1409 CB HIS A 94 -0.615 7.411 2.647 1.00 11.54 C ATOM 1410 CG HIS A 94 -0.300 6.482 1.515 1.00 73.35 C ATOM 1411 ND1 HIS A 94 0.460 6.853 0.426 1.00 55.34 N ATOM 1412 CD2 HIS A 94 -0.647 5.191 1.307 1.00 33.01 C ATOM 1413 CE1 HIS A 94 0.566 5.831 -0.403 1.00 21.51 C ATOM 1414 NE2 HIS A 94 -0.096 4.809 0.109 1.00 30.31 N ATOM 0 H HIS A 94 -2.480 6.163 4.187 1.00 50.24 H new ATOM 0 HA HIS A 94 0.481 6.248 4.081 1.00 73.23 H new ATOM 0 HB2 HIS A 94 -1.633 7.782 2.529 1.00 11.54 H new ATOM 0 HB3 HIS A 94 0.047 8.275 2.592 1.00 11.54 H new ATOM 0 HD2 HIS A 94 -1.246 4.575 1.962 1.00 33.01 H new ATOM 0 HE1 HIS A 94 1.103 5.831 -1.340 1.00 21.51 H new ATOM 0 HE2 HIS A 94 -0.184 3.886 -0.317 1.00 30.31 H new ATOM 1421 N SER A 95 0.665 8.283 5.533 1.00 51.13 N ATOM 1422 CA SER A 95 0.769 9.304 6.569 1.00 60.25 C ATOM 1423 C SER A 95 1.601 10.487 6.085 1.00 0.21 C ATOM 1424 O SER A 95 2.787 10.345 5.786 1.00 23.33 O ATOM 1425 CB SER A 95 1.388 8.714 7.837 1.00 22.33 C ATOM 1426 OG SER A 95 1.299 9.623 8.920 1.00 10.12 O ATOM 0 H SER A 95 1.561 7.954 5.174 1.00 51.13 H new ATOM 0 HA SER A 95 -0.236 9.659 6.796 1.00 60.25 H new ATOM 0 HB2 SER A 95 0.879 7.785 8.095 1.00 22.33 H new ATOM 0 HB3 SER A 95 2.433 8.464 7.653 1.00 22.33 H new ATOM 0 HG SER A 95 0.361 9.863 9.069 1.00 10.12 H new ATOM 1431 N ASP A 96 0.972 11.655 6.010 1.00 22.25 N ATOM 1432 CA ASP A 96 1.654 12.864 5.564 1.00 61.43 C ATOM 1433 C ASP A 96 2.306 13.585 6.739 1.00 73.44 C ATOM 1434 O ASP A 96 3.396 14.142 6.611 1.00 62.33 O ATOM 1435 CB ASP A 96 0.671 13.798 4.857 1.00 62.25 C ATOM 1436 CG ASP A 96 -0.317 14.432 5.816 1.00 73.32 C ATOM 1437 OD1 ASP A 96 0.029 15.467 6.426 1.00 24.43 O ATOM 1438 OD2 ASP A 96 -1.435 13.896 5.957 1.00 30.20 O ATOM 0 H ASP A 96 -0.010 11.790 6.252 1.00 22.25 H new ATOM 0 HA ASP A 96 2.435 12.573 4.862 1.00 61.43 H new ATOM 0 HB2 ASP A 96 1.226 14.582 4.341 1.00 62.25 H new ATOM 0 HB3 ASP A 96 0.127 13.239 4.096 1.00 62.25 H new ATOM 1442 N ASP A 97 1.629 13.573 7.882 1.00 75.14 N ATOM 1443 CA ASP A 97 2.142 14.227 9.082 1.00 43.40 C ATOM 1444 C ASP A 97 2.868 13.228 9.977 1.00 3.12 C ATOM 1445 O ASP A 97 3.530 13.609 10.940 1.00 20.23 O ATOM 1446 CB ASP A 97 1.001 14.889 9.855 1.00 63.34 C ATOM 1447 CG ASP A 97 1.211 16.379 10.033 1.00 52.03 C ATOM 1448 OD1 ASP A 97 2.060 16.763 10.864 1.00 51.23 O ATOM 1449 OD2 ASP A 97 0.524 17.162 9.343 1.00 51.34 O ATOM 0 H ASP A 97 0.724 13.118 8.004 1.00 75.14 H new ATOM 0 HA ASP A 97 2.853 14.993 8.773 1.00 43.40 H new ATOM 0 HB2 ASP A 97 0.062 14.718 9.329 1.00 63.34 H new ATOM 0 HB3 ASP A 97 0.908 14.419 10.834 1.00 63.34 H new ATOM 1453 N GLY A 98 2.737 11.945 9.651 1.00 31.23 N ATOM 1454 CA GLY A 98 3.385 10.910 10.436 1.00 53.31 C ATOM 1455 C GLY A 98 2.450 10.279 11.448 1.00 63.10 C ATOM 1456 O GLY A 98 2.607 9.112 11.806 1.00 23.03 O ATOM 0 H GLY A 98 2.194 11.604 8.858 1.00 31.23 H new ATOM 0 HA2 GLY A 98 3.767 10.138 9.768 1.00 53.31 H new ATOM 0 HA3 GLY A 98 4.243 11.336 10.955 1.00 53.31 H new ATOM 1460 N VAL A 99 1.472 11.052 11.911 1.00 4.34 N ATOM 1461 CA VAL A 99 0.508 10.560 12.888 1.00 52.24 C ATOM 1462 C VAL A 99 -0.808 10.181 12.218 1.00 25.22 C ATOM 1463 O VAL A 99 -1.473 9.231 12.631 1.00 11.21 O ATOM 1464 CB VAL A 99 0.230 11.612 13.979 1.00 22.45 C ATOM 1465 CG1 VAL A 99 1.496 11.911 14.767 1.00 71.13 C ATOM 1466 CG2 VAL A 99 -0.338 12.881 13.363 1.00 53.45 C ATOM 0 H VAL A 99 1.327 12.020 11.625 1.00 4.34 H new ATOM 0 HA VAL A 99 0.947 9.675 13.349 1.00 52.24 H new ATOM 0 HB VAL A 99 -0.511 11.208 14.669 1.00 22.45 H new ATOM 0 HG11 VAL A 99 1.280 12.656 15.533 1.00 71.13 H new ATOM 0 HG12 VAL A 99 1.854 10.997 15.241 1.00 71.13 H new ATOM 0 HG13 VAL A 99 2.262 12.295 14.093 1.00 71.13 H new ATOM 0 HG21 VAL A 99 -0.528 13.613 14.148 1.00 53.45 H new ATOM 0 HG22 VAL A 99 0.377 13.291 12.650 1.00 53.45 H new ATOM 0 HG23 VAL A 99 -1.271 12.650 12.849 1.00 53.45 H new ATOM 1476 N GLN A 100 -1.175 10.927 11.182 1.00 22.32 N ATOM 1477 CA GLN A 100 -2.412 10.667 10.455 1.00 42.43 C ATOM 1478 C GLN A 100 -2.278 9.425 9.579 1.00 53.35 C ATOM 1479 O GLN A 100 -1.242 9.205 8.953 1.00 12.44 O ATOM 1480 CB GLN A 100 -2.786 11.875 9.593 1.00 14.14 C ATOM 1481 CG GLN A 100 -2.684 13.201 10.329 1.00 52.32 C ATOM 1482 CD GLN A 100 -3.266 14.355 9.537 1.00 13.53 C ATOM 1483 OE1 GLN A 100 -2.655 14.838 8.582 1.00 60.23 O ATOM 1484 NE2 GLN A 100 -4.452 14.804 9.928 1.00 22.33 N ATOM 0 H GLN A 100 -0.634 11.716 10.827 1.00 22.32 H new ATOM 0 HA GLN A 100 -3.202 10.492 11.185 1.00 42.43 H new ATOM 0 HB2 GLN A 100 -2.135 11.903 8.719 1.00 14.14 H new ATOM 0 HB3 GLN A 100 -3.805 11.749 9.228 1.00 14.14 H new ATOM 0 HG2 GLN A 100 -3.203 13.123 11.284 1.00 52.32 H new ATOM 0 HG3 GLN A 100 -1.637 13.409 10.551 1.00 52.32 H new ATOM 0 HE21 GLN A 100 -4.923 14.374 10.724 1.00 22.33 H new ATOM 0 HE22 GLN A 100 -4.893 15.579 9.432 1.00 22.33 H new ATOM 1491 N TRP A 101 -3.332 8.618 9.540 1.00 51.15 N ATOM 1492 CA TRP A 101 -3.331 7.399 8.740 1.00 3.21 C ATOM 1493 C TRP A 101 -4.496 7.392 7.756 1.00 24.45 C ATOM 1494 O TRP A 101 -5.653 7.236 8.149 1.00 3.52 O ATOM 1495 CB TRP A 101 -3.407 6.170 9.648 1.00 3.51 C ATOM 1496 CG TRP A 101 -2.453 6.226 10.804 1.00 65.05 C ATOM 1497 CD1 TRP A 101 -1.192 6.746 10.801 1.00 12.22 C ATOM 1498 CD2 TRP A 101 -2.687 5.741 12.130 1.00 71.41 C ATOM 1499 NE1 TRP A 101 -0.626 6.616 12.046 1.00 25.34 N ATOM 1500 CE2 TRP A 101 -1.523 6.002 12.879 1.00 21.22 C ATOM 1501 CE3 TRP A 101 -3.766 5.114 12.759 1.00 23.11 C ATOM 1502 CZ2 TRP A 101 -1.410 5.656 14.223 1.00 21.43 C ATOM 1503 CZ3 TRP A 101 -3.653 4.771 14.093 1.00 4.14 C ATOM 1504 CH2 TRP A 101 -2.482 5.043 14.813 1.00 20.12 C ATOM 0 H TRP A 101 -4.198 8.786 10.053 1.00 51.15 H new ATOM 0 HA TRP A 101 -2.401 7.367 8.172 1.00 3.21 H new ATOM 0 HB2 TRP A 101 -4.423 6.071 10.029 1.00 3.51 H new ATOM 0 HB3 TRP A 101 -3.200 5.277 9.058 1.00 3.51 H new ATOM 0 HD1 TRP A 101 -0.709 7.194 9.945 1.00 12.22 H new ATOM 0 HE1 TRP A 101 0.310 6.926 12.307 1.00 25.34 H new ATOM 0 HE3 TRP A 101 -4.673 4.901 12.212 1.00 23.11 H new ATOM 0 HZ2 TRP A 101 -0.508 5.864 14.780 1.00 21.43 H new ATOM 0 HZ3 TRP A 101 -4.481 4.285 14.589 1.00 4.14 H new ATOM 0 HH2 TRP A 101 -2.424 4.763 15.855 1.00 20.12 H new ATOM 1514 N THR A 102 -4.184 7.561 6.475 1.00 34.05 N ATOM 1515 CA THR A 102 -5.205 7.576 5.435 1.00 23.13 C ATOM 1516 C THR A 102 -5.267 6.238 4.707 1.00 23.43 C ATOM 1517 O THR A 102 -4.454 5.961 3.825 1.00 71.04 O ATOM 1518 CB THR A 102 -4.947 8.694 4.409 1.00 10.53 C ATOM 1519 OG1 THR A 102 -4.949 9.968 5.062 1.00 55.41 O ATOM 1520 CG2 THR A 102 -6.001 8.678 3.313 1.00 61.33 C ATOM 0 H THR A 102 -3.232 7.689 6.133 1.00 34.05 H new ATOM 0 HA THR A 102 -6.158 7.762 5.931 1.00 23.13 H new ATOM 0 HB THR A 102 -3.972 8.521 3.954 1.00 10.53 H new ATOM 0 HG1 THR A 102 -4.782 10.674 4.403 1.00 55.41 H new ATOM 0 HG21 THR A 102 -5.797 9.477 2.600 1.00 61.33 H new ATOM 0 HG22 THR A 102 -5.976 7.718 2.798 1.00 61.33 H new ATOM 0 HG23 THR A 102 -6.987 8.828 3.754 1.00 61.33 H new ATOM 1528 N VAL A 103 -6.237 5.409 5.081 1.00 34.43 N ATOM 1529 CA VAL A 103 -6.406 4.101 4.463 1.00 23.44 C ATOM 1530 C VAL A 103 -7.117 4.215 3.120 1.00 41.31 C ATOM 1531 O VAL A 103 -7.343 3.215 2.437 1.00 55.14 O ATOM 1532 CB VAL A 103 -7.203 3.147 5.373 1.00 74.20 C ATOM 1533 CG1 VAL A 103 -6.385 2.769 6.598 1.00 12.51 C ATOM 1534 CG2 VAL A 103 -8.525 3.781 5.780 1.00 41.54 C ATOM 0 H VAL A 103 -6.918 5.622 5.810 1.00 34.43 H new ATOM 0 HA VAL A 103 -5.407 3.694 4.309 1.00 23.44 H new ATOM 0 HB VAL A 103 -7.419 2.236 4.815 1.00 74.20 H new ATOM 0 HG11 VAL A 103 -6.965 2.095 7.229 1.00 12.51 H new ATOM 0 HG12 VAL A 103 -5.467 2.272 6.283 1.00 12.51 H new ATOM 0 HG13 VAL A 103 -6.136 3.669 7.161 1.00 12.51 H new ATOM 0 HG21 VAL A 103 -9.076 3.094 6.423 1.00 41.54 H new ATOM 0 HG22 VAL A 103 -8.333 4.708 6.320 1.00 41.54 H new ATOM 0 HG23 VAL A 103 -9.115 3.996 4.889 1.00 41.54 H new ATOM 1544 N TYR A 104 -7.466 5.440 2.744 1.00 34.31 N ATOM 1545 CA TYR A 104 -8.153 5.687 1.482 1.00 71.24 C ATOM 1546 C TYR A 104 -9.492 4.955 1.438 1.00 35.41 C ATOM 1547 O TYR A 104 -10.065 4.751 0.369 1.00 13.34 O ATOM 1548 CB TYR A 104 -7.280 5.246 0.307 1.00 24.51 C ATOM 1549 CG TYR A 104 -6.023 6.069 0.144 1.00 13.41 C ATOM 1550 CD1 TYR A 104 -4.921 5.861 0.964 1.00 24.21 C ATOM 1551 CD2 TYR A 104 -5.937 7.057 -0.830 1.00 31.52 C ATOM 1552 CE1 TYR A 104 -3.770 6.611 0.819 1.00 53.30 C ATOM 1553 CE2 TYR A 104 -4.790 7.811 -0.983 1.00 73.12 C ATOM 1554 CZ TYR A 104 -3.709 7.585 -0.157 1.00 33.52 C ATOM 1555 OH TYR A 104 -2.565 8.335 -0.304 1.00 51.15 O ATOM 0 H TYR A 104 -7.284 6.278 3.296 1.00 34.31 H new ATOM 0 HA TYR A 104 -8.342 6.758 1.404 1.00 71.24 H new ATOM 0 HB2 TYR A 104 -7.004 4.200 0.443 1.00 24.51 H new ATOM 0 HB3 TYR A 104 -7.864 5.305 -0.611 1.00 24.51 H new ATOM 0 HD1 TYR A 104 -4.965 5.099 1.728 1.00 24.21 H new ATOM 0 HD2 TYR A 104 -6.782 7.238 -1.478 1.00 31.52 H new ATOM 0 HE1 TYR A 104 -2.923 6.436 1.466 1.00 53.30 H new ATOM 0 HE2 TYR A 104 -4.740 8.574 -1.746 1.00 73.12 H new ATOM 0 HH TYR A 104 -2.686 8.975 -1.036 1.00 51.15 H new ATOM 1632 N LYS A 111 -12.852 0.069 4.034 1.00 55.15 N ATOM 1633 CA LYS A 111 -12.404 -1.298 3.798 1.00 64.55 C ATOM 1634 C LYS A 111 -10.948 -1.325 3.347 1.00 41.03 C ATOM 1635 O LYS A 111 -10.254 -0.310 3.398 1.00 55.11 O ATOM 1636 CB LYS A 111 -13.288 -1.971 2.744 1.00 70.25 C ATOM 1637 CG LYS A 111 -13.737 -3.369 3.130 1.00 71.42 C ATOM 1638 CD LYS A 111 -14.642 -3.348 4.350 1.00 73.24 C ATOM 1639 CE LYS A 111 -16.111 -3.402 3.957 1.00 41.52 C ATOM 1640 NZ LYS A 111 -16.992 -3.631 5.134 1.00 60.32 N ATOM 0 HA LYS A 111 -12.484 -1.847 4.736 1.00 64.55 H new ATOM 0 HB2 LYS A 111 -14.167 -1.351 2.570 1.00 70.25 H new ATOM 0 HB3 LYS A 111 -12.742 -2.021 1.802 1.00 70.25 H new ATOM 0 HG2 LYS A 111 -14.264 -3.827 2.293 1.00 71.42 H new ATOM 0 HG3 LYS A 111 -12.864 -3.989 3.334 1.00 71.42 H new ATOM 0 HD2 LYS A 111 -14.405 -4.195 4.994 1.00 73.24 H new ATOM 0 HD3 LYS A 111 -14.452 -2.444 4.929 1.00 73.24 H new ATOM 0 HE2 LYS A 111 -16.391 -2.468 3.470 1.00 41.52 H new ATOM 0 HE3 LYS A 111 -16.263 -4.199 3.229 1.00 41.52 H new ATOM 0 HZ1 LYS A 111 -17.984 -3.661 4.824 1.00 60.32 H new ATOM 0 HZ2 LYS A 111 -16.742 -4.535 5.584 1.00 60.32 H new ATOM 0 HZ3 LYS A 111 -16.866 -2.857 5.818 1.00 60.32 H new ATOM 1650 N VAL A 112 -10.491 -2.492 2.905 1.00 4.10 N ATOM 1651 CA VAL A 112 -9.118 -2.650 2.443 1.00 14.22 C ATOM 1652 C VAL A 112 -9.038 -2.586 0.922 1.00 64.52 C ATOM 1653 O VAL A 112 -10.056 -2.446 0.241 1.00 35.24 O ATOM 1654 CB VAL A 112 -8.513 -3.983 2.922 1.00 55.13 C ATOM 1655 CG1 VAL A 112 -8.616 -4.103 4.435 1.00 52.12 C ATOM 1656 CG2 VAL A 112 -9.201 -5.155 2.238 1.00 32.43 C ATOM 0 H VAL A 112 -11.052 -3.342 2.857 1.00 4.10 H new ATOM 0 HA VAL A 112 -8.545 -1.826 2.869 1.00 14.22 H new ATOM 0 HB VAL A 112 -7.457 -4.002 2.651 1.00 55.13 H new ATOM 0 HG11 VAL A 112 -8.184 -5.051 4.755 1.00 52.12 H new ATOM 0 HG12 VAL A 112 -8.075 -3.281 4.903 1.00 52.12 H new ATOM 0 HG13 VAL A 112 -9.664 -4.063 4.733 1.00 52.12 H new ATOM 0 HG21 VAL A 112 -8.762 -6.089 2.588 1.00 32.43 H new ATOM 0 HG22 VAL A 112 -10.264 -5.142 2.477 1.00 32.43 H new ATOM 0 HG23 VAL A 112 -9.070 -5.074 1.159 1.00 32.43 H new ATOM 1666 N PHE A 113 -7.824 -2.692 0.392 1.00 74.34 N ATOM 1667 CA PHE A 113 -7.612 -2.646 -1.049 1.00 54.41 C ATOM 1668 C PHE A 113 -7.591 -4.052 -1.640 1.00 4.43 C ATOM 1669 O PHE A 113 -7.283 -5.022 -0.949 1.00 52.03 O ATOM 1670 CB PHE A 113 -6.301 -1.926 -1.370 1.00 11.42 C ATOM 1671 CG PHE A 113 -6.490 -0.500 -1.804 1.00 62.42 C ATOM 1672 CD1 PHE A 113 -7.322 0.350 -1.092 1.00 0.23 C ATOM 1673 CD2 PHE A 113 -5.838 -0.010 -2.924 1.00 32.45 C ATOM 1674 CE1 PHE A 113 -7.497 1.662 -1.488 1.00 61.14 C ATOM 1675 CE2 PHE A 113 -6.010 1.302 -3.324 1.00 1.44 C ATOM 1676 CZ PHE A 113 -6.841 2.139 -2.606 1.00 21.20 C ATOM 0 H PHE A 113 -6.972 -2.810 0.940 1.00 74.34 H new ATOM 0 HA PHE A 113 -8.440 -2.095 -1.496 1.00 54.41 H new ATOM 0 HB2 PHE A 113 -5.659 -1.947 -0.489 1.00 11.42 H new ATOM 0 HB3 PHE A 113 -5.780 -2.471 -2.157 1.00 11.42 H new ATOM 0 HD1 PHE A 113 -7.839 -0.017 -0.218 1.00 0.23 H new ATOM 0 HD2 PHE A 113 -5.188 -0.660 -3.491 1.00 32.45 H new ATOM 0 HE1 PHE A 113 -8.147 2.314 -0.923 1.00 61.14 H new ATOM 0 HE2 PHE A 113 -5.495 1.672 -4.198 1.00 1.44 H new ATOM 0 HZ PHE A 113 -6.978 3.164 -2.918 1.00 21.20 H new ATOM 1685 N GLN A 114 -7.921 -4.152 -2.924 1.00 63.32 N ATOM 1686 CA GLN A 114 -7.942 -5.440 -3.609 1.00 1.12 C ATOM 1687 C GLN A 114 -6.972 -5.447 -4.786 1.00 54.11 C ATOM 1688 O GLN A 114 -6.901 -4.484 -5.549 1.00 5.35 O ATOM 1689 CB GLN A 114 -9.356 -5.760 -4.096 1.00 15.24 C ATOM 1690 CG GLN A 114 -10.427 -5.546 -3.039 1.00 74.21 C ATOM 1691 CD GLN A 114 -11.429 -4.479 -3.431 1.00 50.12 C ATOM 1692 OE1 GLN A 114 -12.639 -4.663 -3.287 1.00 2.22 O ATOM 1693 NE2 GLN A 114 -10.932 -3.353 -3.930 1.00 30.44 N ATOM 0 H GLN A 114 -8.177 -3.358 -3.510 1.00 63.32 H new ATOM 0 HA GLN A 114 -7.628 -6.205 -2.899 1.00 1.12 H new ATOM 0 HB2 GLN A 114 -9.582 -5.138 -4.962 1.00 15.24 H new ATOM 0 HB3 GLN A 114 -9.390 -6.797 -4.431 1.00 15.24 H new ATOM 0 HG2 GLN A 114 -10.952 -6.485 -2.864 1.00 74.21 H new ATOM 0 HG3 GLN A 114 -9.953 -5.266 -2.098 1.00 74.21 H new ATOM 0 HE21 GLN A 114 -9.923 -3.242 -4.032 1.00 30.44 H new ATOM 0 HE22 GLN A 114 -11.559 -2.599 -4.211 1.00 30.44 H new ATOM 1700 N GLY A 115 -6.226 -6.538 -4.926 1.00 13.34 N ATOM 1701 CA GLY A 115 -5.270 -6.649 -6.011 1.00 15.51 C ATOM 1702 C GLY A 115 -5.757 -7.558 -7.122 1.00 13.51 C ATOM 1703 O GLY A 115 -6.411 -7.106 -8.061 1.00 70.10 O ATOM 0 H GLY A 115 -6.267 -7.347 -4.307 1.00 13.34 H new ATOM 0 HA2 GLY A 115 -5.070 -5.658 -6.418 1.00 15.51 H new ATOM 0 HA3 GLY A 115 -4.326 -7.030 -5.622 1.00 15.51 H new ATOM 1707 N ASN A 116 -5.434 -8.843 -7.018 1.00 41.02 N ATOM 1708 CA ASN A 116 -5.842 -9.817 -8.023 1.00 51.01 C ATOM 1709 C ASN A 116 -5.211 -9.500 -9.376 1.00 73.42 C ATOM 1710 O ASN A 116 -4.182 -8.827 -9.450 1.00 44.40 O ATOM 1711 CB ASN A 116 -7.366 -9.842 -8.152 1.00 52.32 C ATOM 1712 CG ASN A 116 -8.061 -9.824 -6.804 1.00 45.11 C ATOM 1713 OD1 ASN A 116 -8.461 -8.769 -6.313 1.00 21.20 O ATOM 1714 ND2 ASN A 116 -8.207 -10.998 -6.200 1.00 22.02 N ATOM 0 H ASN A 116 -4.891 -9.234 -6.248 1.00 41.02 H new ATOM 0 HA ASN A 116 -5.496 -10.799 -7.701 1.00 51.01 H new ATOM 0 HB2 ASN A 116 -7.692 -8.982 -8.737 1.00 52.32 H new ATOM 0 HB3 ASN A 116 -7.667 -10.734 -8.701 1.00 52.32 H new ATOM 0 HD21 ASN A 116 -8.667 -11.050 -5.291 1.00 22.02 H new ATOM 0 HD22 ASN A 116 -7.859 -11.847 -6.645 1.00 22.02 H new ATOM 1720 N LEU A 117 -5.835 -9.988 -10.443 1.00 32.54 N ATOM 1721 CA LEU A 117 -5.335 -9.756 -11.793 1.00 0.31 C ATOM 1722 C LEU A 117 -4.026 -10.504 -12.026 1.00 72.30 C ATOM 1723 O LEU A 117 -3.283 -10.200 -12.960 1.00 71.52 O ATOM 1724 CB LEU A 117 -5.130 -8.259 -12.032 1.00 52.33 C ATOM 1725 CG LEU A 117 -6.168 -7.330 -11.403 1.00 73.04 C ATOM 1726 CD1 LEU A 117 -5.680 -5.890 -11.425 1.00 53.03 C ATOM 1727 CD2 LEU A 117 -7.502 -7.454 -12.125 1.00 55.40 C ATOM 0 H LEU A 117 -6.687 -10.546 -10.399 1.00 32.54 H new ATOM 0 HA LEU A 117 -6.077 -10.132 -12.498 1.00 0.31 H new ATOM 0 HB2 LEU A 117 -4.147 -7.982 -11.652 1.00 52.33 H new ATOM 0 HB3 LEU A 117 -5.118 -8.082 -13.107 1.00 52.33 H new ATOM 0 HG LEU A 117 -6.311 -7.627 -10.364 1.00 73.04 H new ATOM 0 HD11 LEU A 117 -6.433 -5.244 -10.973 1.00 53.03 H new ATOM 0 HD12 LEU A 117 -4.750 -5.812 -10.862 1.00 53.03 H new ATOM 0 HD13 LEU A 117 -5.507 -5.580 -12.456 1.00 53.03 H new ATOM 0 HD21 LEU A 117 -8.229 -6.786 -11.664 1.00 55.40 H new ATOM 0 HD22 LEU A 117 -7.375 -7.184 -13.173 1.00 55.40 H new ATOM 0 HD23 LEU A 117 -7.859 -8.482 -12.056 1.00 55.40 H new ATOM 1738 N ASP A 118 -3.751 -11.484 -11.172 1.00 51.34 N ATOM 1739 CA ASP A 118 -2.533 -12.278 -11.286 1.00 52.44 C ATOM 1740 C ASP A 118 -1.295 -11.397 -11.151 1.00 54.42 C ATOM 1741 O ASP A 118 -1.392 -10.226 -10.786 1.00 3.14 O ATOM 1742 CB ASP A 118 -2.505 -13.018 -12.625 1.00 53.11 C ATOM 1743 CG ASP A 118 -3.782 -13.791 -12.886 1.00 64.41 C ATOM 1744 OD1 ASP A 118 -4.148 -14.635 -12.041 1.00 14.54 O ATOM 1745 OD2 ASP A 118 -4.417 -13.554 -13.935 1.00 13.53 O ATOM 0 H ASP A 118 -4.355 -11.748 -10.393 1.00 51.34 H new ATOM 0 HA ASP A 118 -2.527 -13.008 -10.476 1.00 52.44 H new ATOM 0 HB2 ASP A 118 -2.347 -12.300 -13.430 1.00 53.11 H new ATOM 0 HB3 ASP A 118 -1.659 -13.705 -12.640 1.00 53.11 H new ATOM 1749 N ASN A 119 -0.133 -11.969 -11.448 1.00 51.42 N ATOM 1750 CA ASN A 119 1.125 -11.236 -11.358 1.00 61.11 C ATOM 1751 C ASN A 119 1.469 -10.581 -12.693 1.00 24.32 C ATOM 1752 O ASN A 119 2.212 -9.602 -12.742 1.00 32.23 O ATOM 1753 CB ASN A 119 2.256 -12.173 -10.930 1.00 62.33 C ATOM 1754 CG ASN A 119 2.982 -12.781 -12.115 1.00 62.51 C ATOM 1755 OD1 ASN A 119 2.255 -13.540 -12.927 1.00 32.13 O flip ATOM 1756 ND2 ASN A 119 4.181 -12.572 -12.297 1.00 11.23 N flip ATOM 0 H ASN A 119 -0.036 -12.937 -11.753 1.00 51.42 H new ATOM 0 HA ASN A 119 1.008 -10.453 -10.609 1.00 61.11 H new ATOM 0 HB2 ASN A 119 2.968 -11.622 -10.315 1.00 62.33 H new ATOM 0 HB3 ASN A 119 1.848 -12.970 -10.309 1.00 62.33 H new ATOM 0 HD21 ASN A 119 4.700 -11.982 -11.647 1.00 11.23 H new ATOM 0 HD22 ASN A 119 4.656 -12.989 -13.098 1.00 11.23 H new ATOM 1762 N ASN A 120 0.922 -11.129 -13.773 1.00 13.41 N ATOM 1763 CA ASN A 120 1.171 -10.599 -15.108 1.00 11.42 C ATOM 1764 C ASN A 120 0.497 -9.242 -15.290 1.00 63.15 C ATOM 1765 O ASN A 120 1.140 -8.263 -15.667 1.00 61.41 O ATOM 1766 CB ASN A 120 0.668 -11.578 -16.171 1.00 13.21 C ATOM 1767 CG ASN A 120 -0.722 -12.100 -15.864 1.00 74.45 C ATOM 1768 OD1 ASN A 120 -1.723 -11.485 -16.230 1.00 44.35 O ATOM 1769 ND2 ASN A 120 -0.789 -13.241 -15.188 1.00 75.43 N ATOM 0 H ASN A 120 0.304 -11.940 -13.750 1.00 13.41 H new ATOM 0 HA ASN A 120 2.247 -10.469 -15.224 1.00 11.42 H new ATOM 0 HB2 ASN A 120 0.661 -11.084 -17.142 1.00 13.21 H new ATOM 0 HB3 ASN A 120 1.360 -12.417 -16.245 1.00 13.21 H new ATOM 0 HD21 ASN A 120 -1.697 -13.641 -14.952 1.00 75.43 H new ATOM 0 HD22 ASN A 120 0.067 -13.717 -14.905 1.00 75.43 H new ATOM 1775 N SER A 121 -0.803 -9.194 -15.018 1.00 73.35 N ATOM 1776 CA SER A 121 -1.568 -7.959 -15.154 1.00 1.23 C ATOM 1777 C SER A 121 -1.185 -6.961 -14.065 1.00 1.12 C ATOM 1778 O SER A 121 -1.013 -7.328 -12.903 1.00 42.01 O ATOM 1779 CB SER A 121 -3.068 -8.253 -15.088 1.00 51.30 C ATOM 1780 OG SER A 121 -3.355 -9.549 -15.582 1.00 73.33 O ATOM 0 H SER A 121 -1.349 -9.996 -14.702 1.00 73.35 H new ATOM 0 HA SER A 121 -1.334 -7.520 -16.124 1.00 1.23 H new ATOM 0 HB2 SER A 121 -3.413 -8.168 -14.058 1.00 51.30 H new ATOM 0 HB3 SER A 121 -3.614 -7.510 -15.669 1.00 51.30 H new ATOM 0 HG SER A 121 -2.570 -9.902 -16.050 1.00 73.33 H new ATOM 1785 N HIS A 122 -1.054 -5.695 -14.451 1.00 3.13 N ATOM 1786 CA HIS A 122 -0.691 -4.643 -13.509 1.00 64.54 C ATOM 1787 C HIS A 122 -1.925 -3.857 -13.072 1.00 51.20 C ATOM 1788 O HIS A 122 -2.943 -3.845 -13.763 1.00 23.20 O ATOM 1789 CB HIS A 122 0.334 -3.698 -14.136 1.00 24.33 C ATOM 1790 CG HIS A 122 -0.273 -2.674 -15.045 1.00 54.34 C ATOM 1791 ND1 HIS A 122 -1.355 -2.936 -15.858 1.00 73.10 N ATOM 1792 CD2 HIS A 122 0.056 -1.379 -15.264 1.00 44.41 C ATOM 1793 CE1 HIS A 122 -1.664 -1.847 -16.540 1.00 62.53 C ATOM 1794 NE2 HIS A 122 -0.822 -0.889 -16.198 1.00 72.24 N ATOM 0 H HIS A 122 -1.194 -5.374 -15.409 1.00 3.13 H new ATOM 0 HA HIS A 122 -0.250 -5.113 -12.630 1.00 64.54 H new ATOM 0 HB2 HIS A 122 0.880 -3.189 -13.342 1.00 24.33 H new ATOM 0 HB3 HIS A 122 1.061 -4.285 -14.697 1.00 24.33 H new ATOM 0 HD2 HIS A 122 0.860 -0.833 -14.792 1.00 44.41 H new ATOM 0 HE1 HIS A 122 -2.468 -1.756 -17.255 1.00 62.53 H new ATOM 0 HE2 HIS A 122 -0.824 0.061 -16.568 1.00 72.24 H new ATOM 1801 N LYS A 123 -1.825 -3.202 -11.921 1.00 21.30 N ATOM 1802 CA LYS A 123 -2.932 -2.413 -11.391 1.00 21.21 C ATOM 1803 C LYS A 123 -2.454 -1.033 -10.953 1.00 14.30 C ATOM 1804 O LYS A 123 -1.941 -0.863 -9.846 1.00 5.52 O ATOM 1805 CB LYS A 123 -3.583 -3.138 -10.211 1.00 52.15 C ATOM 1806 CG LYS A 123 -4.584 -2.285 -9.452 1.00 73.51 C ATOM 1807 CD LYS A 123 -5.700 -1.794 -10.358 1.00 33.11 C ATOM 1808 CE LYS A 123 -7.056 -1.888 -9.675 1.00 71.42 C ATOM 1809 NZ LYS A 123 -7.895 -2.974 -10.254 1.00 54.44 N ATOM 0 H LYS A 123 -0.989 -3.201 -11.337 1.00 21.30 H new ATOM 0 HA LYS A 123 -3.670 -2.288 -12.184 1.00 21.21 H new ATOM 0 HB2 LYS A 123 -4.085 -4.033 -10.578 1.00 52.15 H new ATOM 0 HB3 LYS A 123 -2.804 -3.468 -9.524 1.00 52.15 H new ATOM 0 HG2 LYS A 123 -5.008 -2.864 -8.632 1.00 73.51 H new ATOM 0 HG3 LYS A 123 -4.073 -1.431 -9.008 1.00 73.51 H new ATOM 0 HD2 LYS A 123 -5.508 -0.761 -10.646 1.00 33.11 H new ATOM 0 HD3 LYS A 123 -5.712 -2.384 -11.275 1.00 33.11 H new ATOM 0 HE2 LYS A 123 -6.914 -2.068 -8.609 1.00 71.42 H new ATOM 0 HE3 LYS A 123 -7.578 -0.936 -9.771 1.00 71.42 H new ATOM 0 HZ1 LYS A 123 -8.900 -2.758 -10.095 1.00 54.44 H new ATOM 0 HZ2 LYS A 123 -7.714 -3.046 -11.276 1.00 54.44 H new ATOM 0 HZ3 LYS A 123 -7.658 -3.877 -9.796 1.00 54.44 H new ATOM 1819 N LYS A 124 -2.628 -0.046 -11.826 1.00 43.13 N ATOM 1820 CA LYS A 124 -2.217 1.321 -11.528 1.00 43.35 C ATOM 1821 C LYS A 124 -3.432 2.218 -11.307 1.00 4.52 C ATOM 1822 O LYS A 124 -4.373 2.209 -12.099 1.00 74.02 O ATOM 1823 CB LYS A 124 -1.360 1.877 -12.668 1.00 60.04 C ATOM 1824 CG LYS A 124 -0.836 3.278 -12.406 1.00 51.33 C ATOM 1825 CD LYS A 124 -0.988 4.168 -13.629 1.00 41.30 C ATOM 1826 CE LYS A 124 -0.453 5.568 -13.370 1.00 74.25 C ATOM 1827 NZ LYS A 124 -0.125 6.280 -14.635 1.00 1.30 N ATOM 0 H LYS A 124 -3.051 -0.168 -12.746 1.00 43.13 H new ATOM 0 HA LYS A 124 -1.627 1.306 -10.612 1.00 43.35 H new ATOM 0 HB2 LYS A 124 -0.516 1.208 -12.837 1.00 60.04 H new ATOM 0 HB3 LYS A 124 -1.950 1.884 -13.585 1.00 60.04 H new ATOM 0 HG2 LYS A 124 -1.374 3.717 -11.566 1.00 51.33 H new ATOM 0 HG3 LYS A 124 0.215 3.227 -12.120 1.00 51.33 H new ATOM 0 HD2 LYS A 124 -0.457 3.725 -14.471 1.00 41.30 H new ATOM 0 HD3 LYS A 124 -2.040 4.225 -13.910 1.00 41.30 H new ATOM 0 HE2 LYS A 124 -1.193 6.142 -12.812 1.00 74.25 H new ATOM 0 HE3 LYS A 124 0.439 5.506 -12.747 1.00 74.25 H new ATOM 0 HZ1 LYS A 124 0.236 7.230 -14.415 1.00 1.30 H new ATOM 0 HZ2 LYS A 124 0.600 5.746 -15.156 1.00 1.30 H new ATOM 0 HZ3 LYS A 124 -0.981 6.362 -15.219 1.00 1.30 H new ATOM 1837 N ASN A 125 -3.401 2.991 -10.228 1.00 74.44 N ATOM 1838 CA ASN A 125 -4.500 3.895 -9.902 1.00 4.52 C ATOM 1839 C ASN A 125 -4.099 5.347 -10.144 1.00 0.11 C ATOM 1840 O ASN A 125 -3.035 5.789 -9.708 1.00 5.42 O ATOM 1841 CB ASN A 125 -4.928 3.707 -8.446 1.00 15.44 C ATOM 1842 CG ASN A 125 -4.639 2.310 -7.933 1.00 64.11 C ATOM 1843 OD1 ASN A 125 -3.485 1.948 -7.702 1.00 70.11 O ATOM 1844 ND2 ASN A 125 -5.689 1.517 -7.754 1.00 63.31 N ATOM 0 H ASN A 125 -2.627 3.011 -9.563 1.00 74.44 H new ATOM 0 HA ASN A 125 -5.341 3.656 -10.553 1.00 4.52 H new ATOM 0 HB2 ASN A 125 -4.410 4.435 -7.821 1.00 15.44 H new ATOM 0 HB3 ASN A 125 -5.995 3.911 -8.355 1.00 15.44 H new ATOM 0 HD21 ASN A 125 -5.557 0.565 -7.412 1.00 63.31 H new ATOM 0 HD22 ASN A 125 -6.628 1.860 -7.959 1.00 63.31 H new ATOM 1850 N ILE A 126 -4.958 6.083 -10.840 1.00 54.21 N ATOM 1851 CA ILE A 126 -4.694 7.486 -11.139 1.00 74.34 C ATOM 1852 C ILE A 126 -4.581 8.308 -9.859 1.00 73.10 C ATOM 1853 O ILE A 126 -4.791 7.796 -8.759 1.00 51.23 O ATOM 1854 CB ILE A 126 -5.798 8.090 -12.027 1.00 21.15 C ATOM 1855 CG1 ILE A 126 -5.197 9.095 -13.012 1.00 30.15 C ATOM 1856 CG2 ILE A 126 -6.864 8.755 -11.168 1.00 2.11 C ATOM 1857 CD1 ILE A 126 -5.098 8.568 -14.426 1.00 44.00 C ATOM 0 H ILE A 126 -5.842 5.732 -11.208 1.00 54.21 H new ATOM 0 HA ILE A 126 -3.747 7.521 -11.677 1.00 74.34 H new ATOM 0 HB ILE A 126 -6.266 7.287 -12.596 1.00 21.15 H new ATOM 0 HG12 ILE A 126 -5.805 10.000 -13.012 1.00 30.15 H new ATOM 0 HG13 ILE A 126 -4.202 9.379 -12.668 1.00 30.15 H new ATOM 0 HG21 ILE A 126 -7.637 9.177 -11.810 1.00 2.11 H new ATOM 0 HG22 ILE A 126 -7.309 8.015 -10.502 1.00 2.11 H new ATOM 0 HG23 ILE A 126 -6.410 9.550 -10.576 1.00 2.11 H new ATOM 0 HD11 ILE A 126 -4.663 9.333 -15.070 1.00 44.00 H new ATOM 0 HD12 ILE A 126 -4.466 7.680 -14.440 1.00 44.00 H new ATOM 0 HD13 ILE A 126 -6.093 8.311 -14.789 1.00 44.00 H new ATOM 1868 N PHE A 127 -4.247 9.585 -10.010 1.00 72.53 N ATOM 1869 CA PHE A 127 -4.107 10.480 -8.867 1.00 20.33 C ATOM 1870 C PHE A 127 -5.219 10.241 -7.849 1.00 24.04 C ATOM 1871 O PHE A 127 -4.959 10.075 -6.659 1.00 32.44 O ATOM 1872 CB PHE A 127 -4.127 11.938 -9.327 1.00 42.23 C ATOM 1873 CG PHE A 127 -5.334 12.290 -10.151 1.00 31.20 C ATOM 1874 CD1 PHE A 127 -5.380 11.985 -11.501 1.00 41.34 C ATOM 1875 CD2 PHE A 127 -6.421 12.927 -9.574 1.00 41.22 C ATOM 1876 CE1 PHE A 127 -6.489 12.307 -12.262 1.00 24.12 C ATOM 1877 CE2 PHE A 127 -7.532 13.251 -10.328 1.00 45.13 C ATOM 1878 CZ PHE A 127 -7.566 12.942 -11.675 1.00 30.03 C ATOM 0 H PHE A 127 -4.068 10.024 -10.913 1.00 72.53 H new ATOM 0 HA PHE A 127 -3.150 10.270 -8.390 1.00 20.33 H new ATOM 0 HB2 PHE A 127 -4.092 12.587 -8.452 1.00 42.23 H new ATOM 0 HB3 PHE A 127 -3.228 12.139 -9.909 1.00 42.23 H new ATOM 0 HD1 PHE A 127 -4.540 11.490 -11.965 1.00 41.34 H new ATOM 0 HD2 PHE A 127 -6.399 13.173 -8.523 1.00 41.22 H new ATOM 0 HE1 PHE A 127 -6.513 12.062 -13.314 1.00 24.12 H new ATOM 0 HE2 PHE A 127 -8.374 13.745 -9.866 1.00 45.13 H new ATOM 0 HZ PHE A 127 -8.433 13.197 -12.267 1.00 30.03 H new ATOM 1887 N GLU A 128 -6.458 10.224 -8.329 1.00 63.32 N ATOM 1888 CA GLU A 128 -7.610 10.006 -7.461 1.00 62.22 C ATOM 1889 C GLU A 128 -7.430 10.727 -6.127 1.00 5.31 C ATOM 1890 O GLU A 128 -7.402 10.099 -5.069 1.00 22.34 O ATOM 1891 CB GLU A 128 -7.821 8.510 -7.221 1.00 34.45 C ATOM 1892 CG GLU A 128 -9.168 8.176 -6.604 1.00 61.22 C ATOM 1893 CD GLU A 128 -10.170 7.675 -7.627 1.00 14.22 C ATOM 1894 OE1 GLU A 128 -10.527 8.452 -8.537 1.00 0.11 O ATOM 1895 OE2 GLU A 128 -10.595 6.506 -7.517 1.00 71.14 O ATOM 0 H GLU A 128 -6.690 10.358 -9.313 1.00 63.32 H new ATOM 0 HA GLU A 128 -8.490 10.413 -7.959 1.00 62.22 H new ATOM 0 HB2 GLU A 128 -7.724 7.981 -8.169 1.00 34.45 H new ATOM 0 HB3 GLU A 128 -7.030 8.140 -6.568 1.00 34.45 H new ATOM 0 HG2 GLU A 128 -9.032 7.418 -5.832 1.00 61.22 H new ATOM 0 HG3 GLU A 128 -9.568 9.063 -6.113 1.00 61.22 H new ATOM 1900 N LYS A 129 -7.308 12.048 -6.188 1.00 61.24 N ATOM 1901 CA LYS A 129 -7.131 12.856 -4.986 1.00 43.01 C ATOM 1902 C LYS A 129 -5.718 12.705 -4.433 1.00 40.01 C ATOM 1903 O LYS A 129 -5.472 11.954 -3.489 1.00 4.22 O ATOM 1904 CB LYS A 129 -8.153 12.453 -3.921 1.00 53.54 C ATOM 1905 CG LYS A 129 -9.543 12.196 -4.478 1.00 72.02 C ATOM 1906 CD LYS A 129 -10.610 12.353 -3.407 1.00 42.32 C ATOM 1907 CE LYS A 129 -11.707 11.310 -3.557 1.00 62.10 C ATOM 1908 NZ LYS A 129 -12.715 11.405 -2.465 1.00 31.52 N ATOM 0 H LYS A 129 -7.328 12.583 -7.056 1.00 61.24 H new ATOM 0 HA LYS A 129 -7.288 13.901 -5.254 1.00 43.01 H new ATOM 0 HB2 LYS A 129 -7.802 11.554 -3.414 1.00 53.54 H new ATOM 0 HB3 LYS A 129 -8.212 13.240 -3.169 1.00 53.54 H new ATOM 0 HG2 LYS A 129 -9.742 12.889 -5.296 1.00 72.02 H new ATOM 0 HG3 LYS A 129 -9.589 11.190 -4.894 1.00 72.02 H new ATOM 0 HD2 LYS A 129 -10.154 12.264 -2.421 1.00 42.32 H new ATOM 0 HD3 LYS A 129 -11.044 13.351 -3.468 1.00 42.32 H new ATOM 0 HE2 LYS A 129 -12.201 11.439 -4.520 1.00 62.10 H new ATOM 0 HE3 LYS A 129 -11.264 10.314 -3.557 1.00 62.10 H new ATOM 0 HZ1 LYS A 129 -13.446 10.678 -2.603 1.00 31.52 H new ATOM 0 HZ2 LYS A 129 -12.248 11.257 -1.548 1.00 31.52 H new ATOM 0 HZ3 LYS A 129 -13.156 12.347 -2.481 1.00 31.52 H new ATOM 1918 N PRO A 130 -4.766 13.437 -5.030 1.00 5.11 N ATOM 1919 CA PRO A 130 -3.362 13.403 -4.613 1.00 31.52 C ATOM 1920 C PRO A 130 -3.146 14.057 -3.251 1.00 45.30 C ATOM 1921 O PRO A 130 -4.056 14.674 -2.697 1.00 31.31 O ATOM 1922 CB PRO A 130 -2.646 14.199 -5.706 1.00 45.43 C ATOM 1923 CG PRO A 130 -3.689 15.107 -6.259 1.00 72.32 C ATOM 1924 CD PRO A 130 -4.988 14.354 -6.161 1.00 50.20 C ATOM 0 HA PRO A 130 -2.996 12.383 -4.501 1.00 31.52 H new ATOM 0 HB2 PRO A 130 -1.806 14.762 -5.300 1.00 45.43 H new ATOM 0 HB3 PRO A 130 -2.245 13.541 -6.477 1.00 45.43 H new ATOM 0 HG2 PRO A 130 -3.734 16.039 -5.695 1.00 72.32 H new ATOM 0 HG3 PRO A 130 -3.468 15.371 -7.293 1.00 72.32 H new ATOM 0 HD2 PRO A 130 -5.828 15.024 -5.976 1.00 50.20 H new ATOM 0 HD3 PRO A 130 -5.209 13.812 -7.081 1.00 50.20 H new ATOM 1929 N PHE A 131 -1.937 13.917 -2.718 1.00 72.52 N ATOM 1930 CA PHE A 131 -1.604 14.494 -1.420 1.00 11.35 C ATOM 1931 C PHE A 131 -0.166 14.159 -1.030 1.00 23.31 C ATOM 1932 O PHE A 131 0.425 13.214 -1.552 1.00 40.33 O ATOM 1933 CB PHE A 131 -2.567 13.983 -0.348 1.00 63.13 C ATOM 1934 CG PHE A 131 -3.514 15.035 0.157 1.00 1.20 C ATOM 1935 CD1 PHE A 131 -3.033 16.211 0.708 1.00 51.14 C ATOM 1936 CD2 PHE A 131 -4.885 14.845 0.080 1.00 14.22 C ATOM 1937 CE1 PHE A 131 -3.902 17.181 1.173 1.00 42.34 C ATOM 1938 CE2 PHE A 131 -5.758 15.812 0.543 1.00 10.23 C ATOM 1939 CZ PHE A 131 -5.266 16.981 1.091 1.00 5.01 C ATOM 0 H PHE A 131 -1.172 13.410 -3.164 1.00 72.52 H new ATOM 0 HA PHE A 131 -1.699 15.577 -1.496 1.00 11.35 H new ATOM 0 HB2 PHE A 131 -3.143 13.152 -0.755 1.00 63.13 H new ATOM 0 HB3 PHE A 131 -1.991 13.592 0.490 1.00 63.13 H new ATOM 0 HD1 PHE A 131 -1.967 16.372 0.775 1.00 51.14 H new ATOM 0 HD2 PHE A 131 -5.275 13.932 -0.346 1.00 14.22 H new ATOM 0 HE1 PHE A 131 -3.514 18.094 1.600 1.00 42.34 H new ATOM 0 HE2 PHE A 131 -6.824 15.654 0.476 1.00 10.23 H new ATOM 0 HZ PHE A 131 -5.947 17.737 1.454 1.00 5.01 H new ATOM 1948 N MET A 132 0.387 14.940 -0.109 1.00 14.14 N ATOM 1949 CA MET A 132 1.755 14.726 0.353 1.00 45.44 C ATOM 1950 C MET A 132 1.832 13.519 1.281 1.00 15.23 C ATOM 1951 O MET A 132 0.854 13.169 1.941 1.00 31.23 O ATOM 1952 CB MET A 132 2.274 15.972 1.071 1.00 40.14 C ATOM 1953 CG MET A 132 1.434 16.376 2.271 1.00 70.23 C ATOM 1954 SD MET A 132 1.208 18.161 2.393 1.00 11.42 S ATOM 1955 CE MET A 132 0.280 18.488 0.897 1.00 52.13 C ATOM 0 H MET A 132 -0.090 15.726 0.333 1.00 14.14 H new ATOM 0 HA MET A 132 2.381 14.532 -0.518 1.00 45.44 H new ATOM 0 HB2 MET A 132 3.298 15.792 1.399 1.00 40.14 H new ATOM 0 HB3 MET A 132 2.306 16.801 0.365 1.00 40.14 H new ATOM 0 HG2 MET A 132 0.459 15.894 2.205 1.00 70.23 H new ATOM 0 HG3 MET A 132 1.909 16.011 3.181 1.00 70.23 H new ATOM 0 HE1 MET A 132 -0.264 19.426 1.004 1.00 52.13 H new ATOM 0 HE2 MET A 132 0.965 18.560 0.052 1.00 52.13 H new ATOM 0 HE3 MET A 132 -0.427 17.677 0.723 1.00 52.13 H new ATOM 1963 N ALA A 133 3.000 12.888 1.329 1.00 5.45 N ATOM 1964 CA ALA A 133 3.205 11.721 2.179 1.00 54.53 C ATOM 1965 C ALA A 133 4.660 11.615 2.623 1.00 2.04 C ATOM 1966 O ALA A 133 5.573 11.984 1.884 1.00 63.11 O ATOM 1967 CB ALA A 133 2.779 10.456 1.449 1.00 31.04 C ATOM 0 H ALA A 133 3.820 13.165 0.789 1.00 5.45 H new ATOM 0 HA ALA A 133 2.589 11.837 3.070 1.00 54.53 H new ATOM 0 HB1 ALA A 133 2.937 9.592 2.095 1.00 31.04 H new ATOM 0 HB2 ALA A 133 1.723 10.525 1.188 1.00 31.04 H new ATOM 0 HB3 ALA A 133 3.371 10.343 0.541 1.00 31.04 H new ATOM 1973 N ARG A 134 4.869 11.109 3.833 1.00 33.51 N ATOM 1974 CA ARG A 134 6.213 10.955 4.377 1.00 40.23 C ATOM 1975 C ARG A 134 6.459 9.517 4.822 1.00 63.14 C ATOM 1976 O ARG A 134 7.595 9.044 4.830 1.00 1.31 O ATOM 1977 CB ARG A 134 6.422 11.908 5.556 1.00 51.53 C ATOM 1978 CG ARG A 134 5.525 11.610 6.745 1.00 72.43 C ATOM 1979 CD ARG A 134 6.337 11.349 8.004 1.00 14.52 C ATOM 1980 NE ARG A 134 7.340 10.307 7.802 1.00 63.31 N ATOM 1981 CZ ARG A 134 7.892 9.615 8.793 1.00 33.13 C ATOM 1982 NH1 ARG A 134 7.540 9.855 10.048 1.00 34.32 N ATOM 1983 NH2 ARG A 134 8.797 8.682 8.529 1.00 72.21 N ATOM 0 H ARG A 134 4.124 10.798 4.457 1.00 33.51 H new ATOM 0 HA ARG A 134 6.926 11.200 3.590 1.00 40.23 H new ATOM 0 HB2 ARG A 134 7.463 11.856 5.875 1.00 51.53 H new ATOM 0 HB3 ARG A 134 6.242 12.930 5.223 1.00 51.53 H new ATOM 0 HG2 ARG A 134 4.851 12.450 6.913 1.00 72.43 H new ATOM 0 HG3 ARG A 134 4.904 10.742 6.525 1.00 72.43 H new ATOM 0 HD2 ARG A 134 6.829 12.270 8.315 1.00 14.52 H new ATOM 0 HD3 ARG A 134 5.668 11.056 8.813 1.00 14.52 H new ATOM 0 HE ARG A 134 7.633 10.099 6.847 1.00 63.31 H new ATOM 0 HH11 ARG A 134 6.844 10.572 10.254 1.00 34.32 H new ATOM 0 HH12 ARG A 134 7.965 9.323 10.807 1.00 34.32 H new ATOM 0 HH21 ARG A 134 9.070 8.495 7.564 1.00 72.21 H new ATOM 0 HH22 ARG A 134 9.220 8.152 9.291 1.00 72.21 H new ATOM 1994 N TYR A 135 5.386 8.826 5.192 1.00 72.20 N ATOM 1995 CA TYR A 135 5.485 7.443 5.642 1.00 45.22 C ATOM 1996 C TYR A 135 4.156 6.716 5.462 1.00 1.15 C ATOM 1997 O TYR A 135 3.109 7.193 5.899 1.00 3.02 O ATOM 1998 CB TYR A 135 5.914 7.391 7.109 1.00 21.32 C ATOM 1999 CG TYR A 135 5.745 6.028 7.741 1.00 72.30 C ATOM 2000 CD1 TYR A 135 6.628 4.994 7.455 1.00 33.23 C ATOM 2001 CD2 TYR A 135 4.701 5.773 8.623 1.00 1.24 C ATOM 2002 CE1 TYR A 135 6.478 3.747 8.030 1.00 62.30 C ATOM 2003 CE2 TYR A 135 4.544 4.530 9.203 1.00 20.45 C ATOM 2004 CZ TYR A 135 5.435 3.520 8.904 1.00 2.31 C ATOM 2005 OH TYR A 135 5.281 2.279 9.478 1.00 61.32 O ATOM 0 H TYR A 135 4.438 9.202 5.189 1.00 72.20 H new ATOM 0 HA TYR A 135 6.238 6.942 5.033 1.00 45.22 H new ATOM 0 HB2 TYR A 135 6.960 7.690 7.184 1.00 21.32 H new ATOM 0 HB3 TYR A 135 5.333 8.119 7.675 1.00 21.32 H new ATOM 0 HD1 TYR A 135 7.446 5.168 6.771 1.00 33.23 H new ATOM 0 HD2 TYR A 135 4.001 6.561 8.858 1.00 1.24 H new ATOM 0 HE1 TYR A 135 7.173 2.954 7.797 1.00 62.30 H new ATOM 0 HE2 TYR A 135 3.728 4.349 9.887 1.00 20.45 H new ATOM 0 HH TYR A 135 4.865 2.376 10.360 1.00 61.32 H new ATOM 2014 N VAL A 136 4.207 5.555 4.815 1.00 11.11 N ATOM 2015 CA VAL A 136 3.010 4.759 4.579 1.00 43.14 C ATOM 2016 C VAL A 136 3.164 3.350 5.143 1.00 55.45 C ATOM 2017 O VAL A 136 4.270 2.814 5.204 1.00 3.45 O ATOM 2018 CB VAL A 136 2.687 4.664 3.075 1.00 62.43 C ATOM 2019 CG1 VAL A 136 2.764 6.037 2.425 1.00 24.15 C ATOM 2020 CG2 VAL A 136 3.627 3.685 2.389 1.00 15.00 C ATOM 0 H VAL A 136 5.065 5.146 4.445 1.00 11.11 H new ATOM 0 HA VAL A 136 2.190 5.264 5.090 1.00 43.14 H new ATOM 0 HB VAL A 136 1.669 4.292 2.962 1.00 62.43 H new ATOM 0 HG11 VAL A 136 2.533 5.950 1.363 1.00 24.15 H new ATOM 0 HG12 VAL A 136 2.045 6.705 2.899 1.00 24.15 H new ATOM 0 HG13 VAL A 136 3.769 6.441 2.546 1.00 24.15 H new ATOM 0 HG21 VAL A 136 3.384 3.631 1.328 1.00 15.00 H new ATOM 0 HG22 VAL A 136 4.656 4.024 2.509 1.00 15.00 H new ATOM 0 HG23 VAL A 136 3.515 2.698 2.838 1.00 15.00 H new ATOM 2030 N ARG A 137 2.048 2.759 5.555 1.00 24.25 N ATOM 2031 CA ARG A 137 2.060 1.413 6.116 1.00 5.44 C ATOM 2032 C ARG A 137 1.082 0.505 5.374 1.00 12.33 C ATOM 2033 O ARG A 137 -0.047 0.898 5.084 1.00 40.03 O ATOM 2034 CB ARG A 137 1.706 1.453 7.603 1.00 54.15 C ATOM 2035 CG ARG A 137 2.111 0.200 8.361 1.00 13.55 C ATOM 2036 CD ARG A 137 1.756 0.302 9.836 1.00 23.13 C ATOM 2037 NE ARG A 137 2.927 0.578 10.664 1.00 51.43 N ATOM 2038 CZ ARG A 137 2.856 0.975 11.929 1.00 21.03 C ATOM 2039 NH1 ARG A 137 1.675 1.141 12.510 1.00 15.42 N ATOM 2040 NH2 ARG A 137 3.966 1.206 12.617 1.00 13.23 N ATOM 0 H ARG A 137 1.125 3.190 5.511 1.00 24.25 H new ATOM 0 HA ARG A 137 3.065 1.008 6.000 1.00 5.44 H new ATOM 0 HB2 ARG A 137 2.191 2.316 8.060 1.00 54.15 H new ATOM 0 HB3 ARG A 137 0.631 1.599 7.708 1.00 54.15 H new ATOM 0 HG2 ARG A 137 1.614 -0.667 7.925 1.00 13.55 H new ATOM 0 HG3 ARG A 137 3.184 0.040 8.254 1.00 13.55 H new ATOM 0 HD2 ARG A 137 1.018 1.092 9.977 1.00 23.13 H new ATOM 0 HD3 ARG A 137 1.293 -0.629 10.162 1.00 23.13 H new ATOM 0 HE ARG A 137 3.850 0.459 10.247 1.00 51.43 H new ATOM 0 HH11 ARG A 137 0.819 0.964 11.985 1.00 15.42 H new ATOM 0 HH12 ARG A 137 1.623 1.446 13.482 1.00 15.42 H new ATOM 0 HH21 ARG A 137 4.876 1.079 12.174 1.00 13.23 H new ATOM 0 HH22 ARG A 137 3.910 1.511 13.589 1.00 13.23 H new ATOM 2051 N VAL A 138 1.526 -0.710 5.069 1.00 41.44 N ATOM 2052 CA VAL A 138 0.691 -1.672 4.361 1.00 3.34 C ATOM 2053 C VAL A 138 0.639 -3.004 5.101 1.00 14.04 C ATOM 2054 O VAL A 138 1.663 -3.508 5.567 1.00 20.43 O ATOM 2055 CB VAL A 138 1.204 -1.914 2.928 1.00 63.12 C ATOM 2056 CG1 VAL A 138 0.237 -2.801 2.158 1.00 51.20 C ATOM 2057 CG2 VAL A 138 1.415 -0.591 2.209 1.00 0.41 C ATOM 0 H VAL A 138 2.459 -1.051 5.301 1.00 41.44 H new ATOM 0 HA VAL A 138 -0.311 -1.246 4.313 1.00 3.34 H new ATOM 0 HB VAL A 138 2.164 -2.428 2.985 1.00 63.12 H new ATOM 0 HG11 VAL A 138 0.615 -2.961 1.148 1.00 51.20 H new ATOM 0 HG12 VAL A 138 0.140 -3.761 2.666 1.00 51.20 H new ATOM 0 HG13 VAL A 138 -0.739 -2.318 2.107 1.00 51.20 H new ATOM 0 HG21 VAL A 138 1.777 -0.780 1.198 1.00 0.41 H new ATOM 0 HG22 VAL A 138 0.471 -0.049 2.160 1.00 0.41 H new ATOM 0 HG23 VAL A 138 2.148 0.005 2.752 1.00 0.41 H new ATOM 2067 N LEU A 139 -0.557 -3.570 5.205 1.00 23.43 N ATOM 2068 CA LEU A 139 -0.743 -4.846 5.890 1.00 41.50 C ATOM 2069 C LEU A 139 -1.684 -5.754 5.104 1.00 11.51 C ATOM 2070 O LEU A 139 -2.906 -5.616 5.156 1.00 62.53 O ATOM 2071 CB LEU A 139 -1.296 -4.617 7.297 1.00 54.03 C ATOM 2072 CG LEU A 139 -1.184 -5.796 8.263 1.00 34.11 C ATOM 2073 CD1 LEU A 139 -1.256 -5.315 9.704 1.00 75.32 C ATOM 2074 CD2 LEU A 139 -2.275 -6.818 7.985 1.00 24.44 C ATOM 0 H LEU A 139 -1.413 -3.167 4.824 1.00 23.43 H new ATOM 0 HA LEU A 139 0.228 -5.335 5.963 1.00 41.50 H new ATOM 0 HB2 LEU A 139 -0.777 -3.764 7.735 1.00 54.03 H new ATOM 0 HB3 LEU A 139 -2.347 -4.342 7.212 1.00 54.03 H new ATOM 0 HG LEU A 139 -0.217 -6.275 8.110 1.00 34.11 H new ATOM 0 HD11 LEU A 139 -1.175 -6.169 10.377 1.00 75.32 H new ATOM 0 HD12 LEU A 139 -0.438 -4.621 9.897 1.00 75.32 H new ATOM 0 HD13 LEU A 139 -2.207 -4.810 9.872 1.00 75.32 H new ATOM 0 HD21 LEU A 139 -2.180 -7.651 8.682 1.00 24.44 H new ATOM 0 HD22 LEU A 139 -3.252 -6.350 8.109 1.00 24.44 H new ATOM 0 HD23 LEU A 139 -2.177 -7.187 6.964 1.00 24.44 H new ATOM 2085 N PRO A 140 -1.103 -6.705 4.357 1.00 33.33 N ATOM 2086 CA PRO A 140 -1.871 -7.655 3.548 1.00 41.31 C ATOM 2087 C PRO A 140 -2.638 -8.657 4.404 1.00 62.53 C ATOM 2088 O PRO A 140 -2.154 -9.096 5.447 1.00 65.32 O ATOM 2089 CB PRO A 140 -0.796 -8.368 2.723 1.00 60.50 C ATOM 2090 CG PRO A 140 0.447 -8.247 3.535 1.00 41.43 C ATOM 2091 CD PRO A 140 0.349 -6.925 4.247 1.00 44.34 C ATOM 0 HA PRO A 140 -2.630 -7.157 2.945 1.00 41.31 H new ATOM 0 HB2 PRO A 140 -1.057 -9.412 2.551 1.00 60.50 H new ATOM 0 HB3 PRO A 140 -0.676 -7.904 1.744 1.00 60.50 H new ATOM 0 HG2 PRO A 140 0.530 -9.068 4.247 1.00 41.43 H new ATOM 0 HG3 PRO A 140 1.333 -8.284 2.901 1.00 41.43 H new ATOM 0 HD2 PRO A 140 0.826 -6.960 5.227 1.00 44.34 H new ATOM 0 HD3 PRO A 140 0.835 -6.128 3.684 1.00 44.34 H new ATOM 2096 N VAL A 141 -3.837 -9.016 3.955 1.00 71.41 N ATOM 2097 CA VAL A 141 -4.671 -9.968 4.680 1.00 44.52 C ATOM 2098 C VAL A 141 -4.967 -11.198 3.829 1.00 45.51 C ATOM 2099 O VAL A 141 -4.874 -12.331 4.301 1.00 14.12 O ATOM 2100 CB VAL A 141 -6.002 -9.329 5.118 1.00 33.34 C ATOM 2101 CG1 VAL A 141 -6.852 -10.334 5.879 1.00 23.23 C ATOM 2102 CG2 VAL A 141 -5.743 -8.089 5.962 1.00 62.23 C ATOM 0 H VAL A 141 -4.252 -8.662 3.093 1.00 71.41 H new ATOM 0 HA VAL A 141 -4.112 -10.268 5.566 1.00 44.52 H new ATOM 0 HB VAL A 141 -6.552 -9.027 4.227 1.00 33.34 H new ATOM 0 HG11 VAL A 141 -7.788 -9.864 6.180 1.00 23.23 H new ATOM 0 HG12 VAL A 141 -7.065 -11.190 5.238 1.00 23.23 H new ATOM 0 HG13 VAL A 141 -6.313 -10.670 6.765 1.00 23.23 H new ATOM 0 HG21 VAL A 141 -6.694 -7.649 6.264 1.00 62.23 H new ATOM 0 HG22 VAL A 141 -5.173 -8.365 6.849 1.00 62.23 H new ATOM 0 HG23 VAL A 141 -5.176 -7.363 5.378 1.00 62.23 H new ATOM 2112 N SER A 142 -5.324 -10.967 2.569 1.00 54.51 N ATOM 2113 CA SER A 142 -5.638 -12.056 1.651 1.00 1.12 C ATOM 2114 C SER A 142 -4.706 -12.033 0.443 1.00 21.14 C ATOM 2115 O SER A 142 -4.623 -11.035 -0.272 1.00 31.14 O ATOM 2116 CB SER A 142 -7.093 -11.959 1.189 1.00 14.43 C ATOM 2117 OG SER A 142 -7.928 -11.482 2.229 1.00 34.10 O ATOM 0 H SER A 142 -5.403 -10.036 2.161 1.00 54.51 H new ATOM 0 HA SER A 142 -5.495 -12.998 2.181 1.00 1.12 H new ATOM 0 HB2 SER A 142 -7.161 -11.292 0.329 1.00 14.43 H new ATOM 0 HB3 SER A 142 -7.440 -12.939 0.861 1.00 14.43 H new ATOM 0 HG SER A 142 -8.852 -11.428 1.908 1.00 34.10 H new ATOM 2122 N TRP A 143 -4.007 -13.141 0.223 1.00 10.02 N ATOM 2123 CA TRP A 143 -3.081 -13.250 -0.898 1.00 11.22 C ATOM 2124 C TRP A 143 -3.298 -14.554 -1.660 1.00 75.14 C ATOM 2125 O TRP A 143 -4.069 -15.413 -1.231 1.00 13.35 O ATOM 2126 CB TRP A 143 -1.636 -13.170 -0.402 1.00 52.35 C ATOM 2127 CG TRP A 143 -1.243 -14.320 0.473 1.00 64.11 C ATOM 2128 CD1 TRP A 143 -0.506 -15.412 0.111 1.00 42.25 C ATOM 2129 CD2 TRP A 143 -1.569 -14.496 1.856 1.00 73.12 C ATOM 2130 NE1 TRP A 143 -0.354 -16.254 1.186 1.00 11.41 N ATOM 2131 CE2 TRP A 143 -0.996 -15.714 2.269 1.00 24.22 C ATOM 2132 CE3 TRP A 143 -2.288 -13.740 2.787 1.00 32.42 C ATOM 2133 CZ2 TRP A 143 -1.122 -16.193 3.569 1.00 34.45 C ATOM 2134 CZ3 TRP A 143 -2.411 -14.217 4.078 1.00 73.13 C ATOM 2135 CH2 TRP A 143 -1.830 -15.433 4.461 1.00 23.03 C ATOM 0 H TRP A 143 -4.064 -13.976 0.806 1.00 10.02 H new ATOM 0 HA TRP A 143 -3.272 -12.419 -1.576 1.00 11.22 H new ATOM 0 HB2 TRP A 143 -0.966 -13.131 -1.261 1.00 52.35 H new ATOM 0 HB3 TRP A 143 -1.500 -12.240 0.150 1.00 52.35 H new ATOM 0 HD1 TRP A 143 -0.102 -15.588 -0.875 1.00 42.25 H new ATOM 0 HE1 TRP A 143 0.155 -17.138 1.179 1.00 11.41 H new ATOM 0 HE3 TRP A 143 -2.739 -12.801 2.502 1.00 32.42 H new ATOM 0 HZ2 TRP A 143 -0.677 -17.132 3.864 1.00 34.45 H new ATOM 0 HZ3 TRP A 143 -2.965 -13.642 4.805 1.00 73.13 H new ATOM 0 HH2 TRP A 143 -1.943 -15.777 5.478 1.00 23.03 H new ATOM 2145 N HIS A 144 -2.615 -14.694 -2.791 1.00 12.25 N ATOM 2146 CA HIS A 144 -2.732 -15.893 -3.612 1.00 23.32 C ATOM 2147 C HIS A 144 -1.370 -16.551 -3.814 1.00 75.41 C ATOM 2148 O HIS A 144 -0.427 -15.915 -4.282 1.00 41.24 O ATOM 2149 CB HIS A 144 -3.352 -15.551 -4.966 1.00 3.40 C ATOM 2150 CG HIS A 144 -4.662 -16.233 -5.217 1.00 24.42 C ATOM 2151 ND1 HIS A 144 -4.839 -17.187 -6.197 1.00 50.01 N ATOM 2152 CD2 HIS A 144 -5.862 -16.097 -4.606 1.00 32.42 C ATOM 2153 CE1 HIS A 144 -6.091 -17.606 -6.179 1.00 60.01 C ATOM 2154 NE2 HIS A 144 -6.733 -16.961 -5.222 1.00 73.23 N ATOM 0 H HIS A 144 -1.974 -13.991 -3.160 1.00 12.25 H new ATOM 0 HA HIS A 144 -3.381 -16.597 -3.091 1.00 23.32 H new ATOM 0 HB2 HIS A 144 -3.496 -14.472 -5.028 1.00 3.40 H new ATOM 0 HB3 HIS A 144 -2.652 -15.825 -5.756 1.00 3.40 H new ATOM 0 HD2 HIS A 144 -6.092 -15.432 -3.786 1.00 32.42 H new ATOM 0 HE1 HIS A 144 -6.518 -18.350 -6.835 1.00 60.01 H new ATOM 0 HE2 HIS A 144 -7.716 -17.085 -4.980 1.00 73.23 H new ATOM 2161 N ASN A 145 -1.275 -17.827 -3.455 1.00 51.23 N ATOM 2162 CA ASN A 145 -0.028 -18.569 -3.596 1.00 21.34 C ATOM 2163 C ASN A 145 0.985 -18.137 -2.538 1.00 42.44 C ATOM 2164 O ASN A 145 1.314 -18.900 -1.631 1.00 24.12 O ATOM 2165 CB ASN A 145 0.558 -18.363 -4.993 1.00 2.33 C ATOM 2166 CG ASN A 145 1.428 -19.525 -5.433 1.00 23.22 C ATOM 2167 OD1 ASN A 145 2.517 -19.756 -4.709 1.00 24.32 O flip ATOM 2168 ND2 ASN A 145 1.123 -20.207 -6.411 1.00 52.31 N flip ATOM 0 H ASN A 145 -2.046 -18.368 -3.065 1.00 51.23 H new ATOM 0 HA ASN A 145 -0.246 -19.627 -3.454 1.00 21.34 H new ATOM 0 HB2 ASN A 145 -0.254 -18.229 -5.708 1.00 2.33 H new ATOM 0 HB3 ASN A 145 1.148 -17.446 -5.005 1.00 2.33 H new ATOM 0 HD21 ASN A 145 0.276 -19.993 -6.938 1.00 52.31 H new ATOM 0 HD22 ASN A 145 1.717 -20.986 -6.694 1.00 52.31 H new ATOM 2174 N ARG A 146 1.473 -16.907 -2.664 1.00 11.23 N ATOM 2175 CA ARG A 146 2.448 -16.373 -1.720 1.00 41.24 C ATOM 2176 C ARG A 146 2.502 -14.850 -1.799 1.00 61.21 C ATOM 2177 O ARG A 146 2.329 -14.267 -2.870 1.00 11.12 O ATOM 2178 CB ARG A 146 3.834 -16.959 -2.000 1.00 75.33 C ATOM 2179 CG ARG A 146 4.428 -17.707 -0.819 1.00 62.55 C ATOM 2180 CD ARG A 146 5.481 -16.876 -0.104 1.00 20.13 C ATOM 2181 NE ARG A 146 6.784 -17.537 -0.089 1.00 63.24 N ATOM 2182 CZ ARG A 146 7.630 -17.517 -1.112 1.00 62.14 C ATOM 2183 NH1 ARG A 146 7.313 -16.872 -2.227 1.00 21.31 N ATOM 2184 NH2 ARG A 146 8.796 -18.143 -1.022 1.00 63.02 N ATOM 0 H ARG A 146 1.210 -16.262 -3.409 1.00 11.23 H new ATOM 0 HA ARG A 146 2.137 -16.657 -0.714 1.00 41.24 H new ATOM 0 HB2 ARG A 146 3.768 -17.636 -2.852 1.00 75.33 H new ATOM 0 HB3 ARG A 146 4.509 -16.152 -2.285 1.00 75.33 H new ATOM 0 HG2 ARG A 146 3.635 -17.972 -0.119 1.00 62.55 H new ATOM 0 HG3 ARG A 146 4.873 -18.640 -1.165 1.00 62.55 H new ATOM 0 HD2 ARG A 146 5.572 -15.907 -0.594 1.00 20.13 H new ATOM 0 HD3 ARG A 146 5.159 -16.686 0.920 1.00 20.13 H new ATOM 0 HE ARG A 146 7.059 -18.042 0.754 1.00 63.24 H new ATOM 0 HH11 ARG A 146 6.417 -16.390 -2.300 1.00 21.31 H new ATOM 0 HH12 ARG A 146 7.965 -16.858 -3.011 1.00 21.31 H new ATOM 0 HH21 ARG A 146 9.043 -18.640 -0.166 1.00 63.02 H new ATOM 0 HH22 ARG A 146 9.445 -18.127 -1.808 1.00 63.02 H new ATOM 2195 N ILE A 147 2.743 -14.212 -0.658 1.00 41.24 N ATOM 2196 CA ILE A 147 2.820 -12.758 -0.599 1.00 0.04 C ATOM 2197 C ILE A 147 4.028 -12.239 -1.373 1.00 21.44 C ATOM 2198 O ILE A 147 5.090 -11.997 -0.799 1.00 51.23 O ATOM 2199 CB ILE A 147 2.904 -12.257 0.856 1.00 4.54 C ATOM 2200 CG1 ILE A 147 1.638 -12.642 1.624 1.00 5.11 C ATOM 2201 CG2 ILE A 147 3.111 -10.751 0.887 1.00 40.34 C ATOM 2202 CD1 ILE A 147 1.728 -13.995 2.296 1.00 51.05 C ATOM 0 H ILE A 147 2.888 -14.679 0.237 1.00 41.24 H new ATOM 0 HA ILE A 147 1.907 -12.375 -1.055 1.00 0.04 H new ATOM 0 HB ILE A 147 3.758 -12.731 1.339 1.00 4.54 H new ATOM 0 HG12 ILE A 147 1.436 -11.883 2.379 1.00 5.11 H new ATOM 0 HG13 ILE A 147 0.792 -12.642 0.937 1.00 5.11 H new ATOM 0 HG21 ILE A 147 3.168 -10.413 1.922 1.00 40.34 H new ATOM 0 HG22 ILE A 147 4.038 -10.500 0.372 1.00 40.34 H new ATOM 0 HG23 ILE A 147 2.275 -10.259 0.390 1.00 40.34 H new ATOM 0 HD11 ILE A 147 0.796 -14.203 2.822 1.00 51.05 H new ATOM 0 HD12 ILE A 147 1.899 -14.764 1.543 1.00 51.05 H new ATOM 0 HD13 ILE A 147 2.553 -13.994 3.008 1.00 51.05 H new ATOM 2213 N THR A 148 3.857 -12.070 -2.681 1.00 33.21 N ATOM 2214 CA THR A 148 4.932 -11.579 -3.534 1.00 32.03 C ATOM 2215 C THR A 148 4.419 -10.535 -4.519 1.00 71.13 C ATOM 2216 O THR A 148 3.772 -10.869 -5.513 1.00 23.33 O ATOM 2217 CB THR A 148 5.594 -12.727 -4.319 1.00 33.10 C ATOM 2218 OG1 THR A 148 5.360 -13.973 -3.655 1.00 24.22 O ATOM 2219 CG2 THR A 148 7.091 -12.494 -4.458 1.00 10.13 C ATOM 0 H THR A 148 2.985 -12.266 -3.172 1.00 33.21 H new ATOM 0 HA THR A 148 5.673 -11.122 -2.878 1.00 32.03 H new ATOM 0 HB THR A 148 5.153 -12.758 -5.315 1.00 33.10 H new ATOM 0 HG1 THR A 148 5.783 -14.698 -4.161 1.00 24.22 H new ATOM 0 HG21 THR A 148 7.537 -13.317 -5.016 1.00 10.13 H new ATOM 0 HG22 THR A 148 7.266 -11.559 -4.990 1.00 10.13 H new ATOM 0 HG23 THR A 148 7.544 -12.439 -3.468 1.00 10.13 H new ATOM 2227 N LEU A 149 4.710 -9.270 -4.238 1.00 2.11 N ATOM 2228 CA LEU A 149 4.279 -8.176 -5.101 1.00 53.45 C ATOM 2229 C LEU A 149 5.147 -6.940 -4.888 1.00 41.52 C ATOM 2230 O LEU A 149 6.173 -6.998 -4.210 1.00 62.25 O ATOM 2231 CB LEU A 149 2.812 -7.836 -4.831 1.00 54.15 C ATOM 2232 CG LEU A 149 2.535 -7.009 -3.574 1.00 3.23 C ATOM 2233 CD1 LEU A 149 1.095 -6.520 -3.564 1.00 62.12 C ATOM 2234 CD2 LEU A 149 2.832 -7.824 -2.324 1.00 41.11 C ATOM 0 H LEU A 149 5.243 -8.976 -3.419 1.00 2.11 H new ATOM 0 HA LEU A 149 4.387 -8.498 -6.137 1.00 53.45 H new ATOM 0 HB2 LEU A 149 2.421 -7.294 -5.692 1.00 54.15 H new ATOM 0 HB3 LEU A 149 2.251 -8.768 -4.760 1.00 54.15 H new ATOM 0 HG LEU A 149 3.192 -6.140 -3.582 1.00 3.23 H new ATOM 0 HD11 LEU A 149 0.916 -5.934 -2.663 1.00 62.12 H new ATOM 0 HD12 LEU A 149 0.915 -5.900 -4.442 1.00 62.12 H new ATOM 0 HD13 LEU A 149 0.420 -7.376 -3.580 1.00 62.12 H new ATOM 0 HD21 LEU A 149 2.629 -7.220 -1.439 1.00 41.11 H new ATOM 0 HD22 LEU A 149 2.200 -8.712 -2.310 1.00 41.11 H new ATOM 0 HD23 LEU A 149 3.880 -8.125 -2.326 1.00 41.11 H new ATOM 2245 N ARG A 150 4.727 -5.821 -5.470 1.00 13.33 N ATOM 2246 CA ARG A 150 5.466 -4.570 -5.343 1.00 42.23 C ATOM 2247 C ARG A 150 4.562 -3.374 -5.626 1.00 71.24 C ATOM 2248 O ARG A 150 3.827 -3.357 -6.615 1.00 13.41 O ATOM 2249 CB ARG A 150 6.659 -4.559 -6.301 1.00 1.40 C ATOM 2250 CG ARG A 150 6.279 -4.811 -7.751 1.00 3.30 C ATOM 2251 CD ARG A 150 6.014 -3.510 -8.492 1.00 0.10 C ATOM 2252 NE ARG A 150 6.667 -3.481 -9.799 1.00 61.32 N ATOM 2253 CZ ARG A 150 6.476 -2.520 -10.694 1.00 71.15 C ATOM 2254 NH1 ARG A 150 5.656 -1.512 -10.427 1.00 32.14 N ATOM 2255 NH2 ARG A 150 7.105 -2.564 -11.861 1.00 1.51 N ATOM 0 H ARG A 150 3.879 -5.755 -6.034 1.00 13.33 H new ATOM 0 HA ARG A 150 5.830 -4.494 -4.318 1.00 42.23 H new ATOM 0 HB2 ARG A 150 7.163 -3.595 -6.229 1.00 1.40 H new ATOM 0 HB3 ARG A 150 7.375 -5.318 -5.985 1.00 1.40 H new ATOM 0 HG2 ARG A 150 7.080 -5.358 -8.248 1.00 3.30 H new ATOM 0 HG3 ARG A 150 5.391 -5.441 -7.791 1.00 3.30 H new ATOM 0 HD2 ARG A 150 4.940 -3.379 -8.621 1.00 0.10 H new ATOM 0 HD3 ARG A 150 6.368 -2.672 -7.891 1.00 0.10 H new ATOM 0 HE ARG A 150 7.305 -4.241 -10.036 1.00 61.32 H new ATOM 0 HH11 ARG A 150 5.170 -1.474 -9.531 1.00 32.14 H new ATOM 0 HH12 ARG A 150 5.512 -0.775 -11.117 1.00 32.14 H new ATOM 0 HH21 ARG A 150 7.736 -3.337 -12.071 1.00 1.51 H new ATOM 0 HH22 ARG A 150 6.957 -1.825 -12.548 1.00 1.51 H new ATOM 2266 N LEU A 151 4.620 -2.376 -4.751 1.00 61.21 N ATOM 2267 CA LEU A 151 3.806 -1.175 -4.905 1.00 24.01 C ATOM 2268 C LEU A 151 4.683 0.069 -4.995 1.00 1.31 C ATOM 2269 O LEU A 151 5.421 0.388 -4.063 1.00 13.50 O ATOM 2270 CB LEU A 151 2.832 -1.041 -3.734 1.00 64.41 C ATOM 2271 CG LEU A 151 1.673 -0.063 -3.932 1.00 34.14 C ATOM 2272 CD1 LEU A 151 0.447 -0.523 -3.160 1.00 73.23 C ATOM 2273 CD2 LEU A 151 2.082 1.339 -3.503 1.00 72.40 C ATOM 0 H LEU A 151 5.222 -2.375 -3.928 1.00 61.21 H new ATOM 0 HA LEU A 151 3.240 -1.267 -5.832 1.00 24.01 H new ATOM 0 HB2 LEU A 151 2.417 -2.026 -3.518 1.00 64.41 H new ATOM 0 HB3 LEU A 151 3.395 -0.732 -2.853 1.00 64.41 H new ATOM 0 HG LEU A 151 1.419 -0.039 -4.992 1.00 34.14 H new ATOM 0 HD11 LEU A 151 -0.367 0.186 -3.314 1.00 73.23 H new ATOM 0 HD12 LEU A 151 0.142 -1.508 -3.514 1.00 73.23 H new ATOM 0 HD13 LEU A 151 0.685 -0.577 -2.098 1.00 73.23 H new ATOM 0 HD21 LEU A 151 1.246 2.023 -3.650 1.00 72.40 H new ATOM 0 HD22 LEU A 151 2.362 1.330 -2.450 1.00 72.40 H new ATOM 0 HD23 LEU A 151 2.931 1.670 -4.101 1.00 72.40 H new ATOM 2284 N GLU A 152 4.596 0.769 -6.122 1.00 23.32 N ATOM 2285 CA GLU A 152 5.382 1.979 -6.333 1.00 52.05 C ATOM 2286 C GLU A 152 4.496 3.220 -6.269 1.00 61.34 C ATOM 2287 O GLU A 152 3.349 3.203 -6.718 1.00 12.11 O ATOM 2288 CB GLU A 152 6.098 1.920 -7.683 1.00 35.13 C ATOM 2289 CG GLU A 152 7.612 1.989 -7.571 1.00 13.51 C ATOM 2290 CD GLU A 152 8.277 2.368 -8.881 1.00 35.33 C ATOM 2291 OE1 GLU A 152 7.743 1.994 -9.946 1.00 52.44 O ATOM 2292 OE2 GLU A 152 9.331 3.036 -8.841 1.00 35.32 O ATOM 0 H GLU A 152 3.989 0.519 -6.903 1.00 23.32 H new ATOM 0 HA GLU A 152 6.125 2.042 -5.538 1.00 52.05 H new ATOM 0 HB2 GLU A 152 5.821 0.997 -8.192 1.00 35.13 H new ATOM 0 HB3 GLU A 152 5.750 2.744 -8.306 1.00 35.13 H new ATOM 0 HG2 GLU A 152 7.883 2.717 -6.806 1.00 13.51 H new ATOM 0 HG3 GLU A 152 7.993 1.023 -7.241 1.00 13.51 H new ATOM 2297 N LEU A 153 5.036 4.297 -5.707 1.00 23.01 N ATOM 2298 CA LEU A 153 4.295 5.547 -5.582 1.00 11.40 C ATOM 2299 C LEU A 153 4.888 6.623 -6.487 1.00 22.10 C ATOM 2300 O LEU A 153 6.107 6.775 -6.572 1.00 13.33 O ATOM 2301 CB LEU A 153 4.304 6.026 -4.130 1.00 21.42 C ATOM 2302 CG LEU A 153 5.680 6.302 -3.522 1.00 72.14 C ATOM 2303 CD1 LEU A 153 6.108 7.735 -3.802 1.00 1.12 C ATOM 2304 CD2 LEU A 153 5.666 6.031 -2.025 1.00 12.02 C ATOM 0 H LEU A 153 5.984 4.329 -5.331 1.00 23.01 H new ATOM 0 HA LEU A 153 3.266 5.363 -5.891 1.00 11.40 H new ATOM 0 HB2 LEU A 153 3.711 6.938 -4.066 1.00 21.42 H new ATOM 0 HB3 LEU A 153 3.802 5.276 -3.518 1.00 21.42 H new ATOM 0 HG LEU A 153 6.403 5.630 -3.985 1.00 72.14 H new ATOM 0 HD11 LEU A 153 7.089 7.914 -3.362 1.00 1.12 H new ATOM 0 HD12 LEU A 153 6.158 7.896 -4.879 1.00 1.12 H new ATOM 0 HD13 LEU A 153 5.384 8.423 -3.366 1.00 1.12 H new ATOM 0 HD21 LEU A 153 6.653 6.233 -1.609 1.00 12.02 H new ATOM 0 HD22 LEU A 153 4.931 6.678 -1.545 1.00 12.02 H new ATOM 0 HD23 LEU A 153 5.403 4.988 -1.846 1.00 12.02 H new ATOM 2315 N LEU A 154 4.018 7.368 -7.160 1.00 31.30 N ATOM 2316 CA LEU A 154 4.455 8.432 -8.058 1.00 30.41 C ATOM 2317 C LEU A 154 3.841 9.770 -7.656 1.00 24.40 C ATOM 2318 O LEU A 154 2.724 9.822 -7.142 1.00 32.45 O ATOM 2319 CB LEU A 154 4.075 8.096 -9.501 1.00 15.53 C ATOM 2320 CG LEU A 154 4.642 6.789 -10.057 1.00 62.14 C ATOM 2321 CD1 LEU A 154 3.779 5.611 -9.631 1.00 60.25 C ATOM 2322 CD2 LEU A 154 4.746 6.855 -11.574 1.00 53.13 C ATOM 0 H LEU A 154 3.006 7.255 -7.101 1.00 31.30 H new ATOM 0 HA LEU A 154 5.539 8.514 -7.984 1.00 30.41 H new ATOM 0 HB2 LEU A 154 2.988 8.055 -9.569 1.00 15.53 H new ATOM 0 HB3 LEU A 154 4.404 8.914 -10.142 1.00 15.53 H new ATOM 0 HG LEU A 154 5.643 6.647 -9.650 1.00 62.14 H new ATOM 0 HD11 LEU A 154 4.197 4.689 -10.035 1.00 60.25 H new ATOM 0 HD12 LEU A 154 3.755 5.552 -8.543 1.00 60.25 H new ATOM 0 HD13 LEU A 154 2.766 5.747 -10.009 1.00 60.25 H new ATOM 0 HD21 LEU A 154 5.151 5.916 -11.952 1.00 53.13 H new ATOM 0 HD22 LEU A 154 3.756 7.020 -12.000 1.00 53.13 H new ATOM 0 HD23 LEU A 154 5.405 7.675 -11.858 1.00 53.13 H new ATOM 2333 N GLY A 155 4.578 10.849 -7.897 1.00 50.10 N ATOM 2334 CA GLY A 155 4.089 12.172 -7.556 1.00 42.05 C ATOM 2335 C GLY A 155 4.256 13.163 -8.691 1.00 0.20 C ATOM 2336 O GLY A 155 4.942 12.881 -9.675 1.00 15.11 O ATOM 0 H GLY A 155 5.505 10.831 -8.322 1.00 50.10 H new ATOM 0 HA2 GLY A 155 3.035 12.108 -7.286 1.00 42.05 H new ATOM 0 HA3 GLY A 155 4.621 12.537 -6.678 1.00 42.05 H new ATOM 2340 N CYS A 156 3.629 14.325 -8.558 1.00 74.15 N ATOM 2341 CA CYS A 156 3.709 15.362 -9.580 1.00 5.51 C ATOM 2342 C CYS A 156 5.026 16.126 -9.477 1.00 44.14 C ATOM 2343 O CYS A 156 5.455 16.776 -10.432 1.00 33.31 O ATOM 2344 CB CYS A 156 2.533 16.331 -9.449 1.00 43.23 C ATOM 2345 SG CYS A 156 2.443 17.575 -10.776 1.00 13.11 S ATOM 0 H CYS A 156 3.058 14.574 -7.750 1.00 74.15 H new ATOM 0 HA CYS A 156 3.664 14.879 -10.556 1.00 5.51 H new ATOM 0 HB2 CYS A 156 1.605 15.760 -9.438 1.00 43.23 H new ATOM 0 HB3 CYS A 156 2.603 16.843 -8.490 1.00 43.23 H new ATOM 2349 N LEU A 157 5.663 16.043 -8.315 1.00 73.21 N ATOM 2350 CA LEU A 157 6.931 16.726 -8.086 1.00 43.54 C ATOM 2351 C LEU A 157 6.759 18.239 -8.180 1.00 45.31 C ATOM 2352 O LEU A 157 7.709 18.963 -8.477 1.00 31.12 O ATOM 2353 CB LEU A 157 7.976 16.256 -9.101 1.00 34.44 C ATOM 2354 CG LEU A 157 9.265 15.677 -8.516 1.00 61.04 C ATOM 2355 CD1 LEU A 157 9.876 16.642 -7.511 1.00 12.20 C ATOM 2356 CD2 LEU A 157 8.997 14.328 -7.867 1.00 4.34 C ATOM 0 H LEU A 157 5.322 15.509 -7.516 1.00 73.21 H new ATOM 0 HA LEU A 157 7.273 16.479 -7.081 1.00 43.54 H new ATOM 0 HB2 LEU A 157 7.519 15.500 -9.740 1.00 34.44 H new ATOM 0 HB3 LEU A 157 8.237 17.099 -9.741 1.00 34.44 H new ATOM 0 HG LEU A 157 9.977 15.532 -9.329 1.00 61.04 H new ATOM 0 HD11 LEU A 157 10.792 16.213 -7.105 1.00 12.20 H new ATOM 0 HD12 LEU A 157 10.105 17.586 -8.006 1.00 12.20 H new ATOM 0 HD13 LEU A 157 9.169 16.820 -6.701 1.00 12.20 H new ATOM 0 HD21 LEU A 157 9.925 13.931 -7.456 1.00 4.34 H new ATOM 0 HD22 LEU A 157 8.268 14.448 -7.066 1.00 4.34 H new ATOM 0 HD23 LEU A 157 8.606 13.637 -8.613 1.00 4.34 H new ATOM 2367 N GLU A 158 5.543 18.708 -7.924 1.00 63.44 N ATOM 2368 CA GLU A 158 5.247 20.135 -7.979 1.00 33.33 C ATOM 2369 C GLU A 158 4.486 20.582 -6.734 1.00 24.51 C ATOM 2370 O GLU A 158 5.087 20.957 -5.728 1.00 11.32 O ATOM 2371 CB GLU A 158 4.434 20.463 -9.232 1.00 65.01 C ATOM 2372 CG GLU A 158 4.817 21.785 -9.878 1.00 22.51 C ATOM 2373 CD GLU A 158 4.323 21.900 -11.307 1.00 22.32 C ATOM 2374 OE1 GLU A 158 3.326 21.228 -11.646 1.00 50.10 O ATOM 2375 OE2 GLU A 158 4.933 22.661 -12.086 1.00 43.21 O ATOM 0 H GLU A 158 4.746 18.121 -7.676 1.00 63.44 H new ATOM 0 HA GLU A 158 6.194 20.674 -8.018 1.00 33.33 H new ATOM 0 HB2 GLU A 158 4.564 19.662 -9.959 1.00 65.01 H new ATOM 0 HB3 GLU A 158 3.376 20.489 -8.972 1.00 65.01 H new ATOM 0 HG2 GLU A 158 4.407 22.605 -9.289 1.00 22.51 H new ATOM 0 HG3 GLU A 158 5.902 21.892 -9.863 1.00 22.51 H new