USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 384 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 123 THR OG1 : rot -64:sc= 0.97 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= -0.164 USER MOD Set 2.2: A 113 GLN : amide:sc= -0.516 K(o=-0.68,f=-3.1!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -0.892 X(o=-0.89,f=-1.3) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 176:sc= -0.849 USER MOD Single : A 153 ASN : amide:sc= -0.753 K(o=-0.75,f=-2.3!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 169:sc= -0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 110 2.659 1.632 0.461 1.00 63.40 N ATOM 2 CA MET A 110 3.668 2.050 -0.505 1.00 43.40 C ATOM 3 C MET A 110 4.653 0.920 -0.787 1.00 51.03 C ATOM 4 O MET A 110 5.330 0.435 0.118 1.00 3.25 O ATOM 5 CB MET A 110 4.419 3.280 0.010 1.00 22.31 C ATOM 6 CG MET A 110 3.641 4.576 -0.144 1.00 14.11 C ATOM 7 SD MET A 110 4.620 6.029 0.281 1.00 41.22 S ATOM 8 CE MET A 110 3.671 7.322 -0.517 1.00 10.14 C ATOM 0 HA MET A 110 3.160 2.306 -1.435 1.00 43.40 H new ATOM 0 HB2 MET A 110 4.660 3.134 1.063 1.00 22.31 H new ATOM 0 HB3 MET A 110 5.365 3.368 -0.524 1.00 22.31 H new ATOM 0 HG2 MET A 110 3.293 4.666 -1.173 1.00 14.11 H new ATOM 0 HG3 MET A 110 2.755 4.541 0.491 1.00 14.11 H new ATOM 0 HE1 MET A 110 4.151 8.285 -0.344 1.00 10.14 H new ATOM 0 HE2 MET A 110 3.621 7.128 -1.588 1.00 10.14 H new ATOM 0 HE3 MET A 110 2.662 7.340 -0.104 1.00 10.14 H new ATOM 18 N GLN A 111 4.726 0.506 -2.048 1.00 72.21 N ATOM 19 CA GLN A 111 5.627 -0.568 -2.448 1.00 22.42 C ATOM 20 C GLN A 111 6.596 -0.093 -3.526 1.00 75.41 C ATOM 21 O GLN A 111 6.384 0.945 -4.153 1.00 13.42 O ATOM 22 CB GLN A 111 4.829 -1.770 -2.956 1.00 72.11 C ATOM 23 CG GLN A 111 4.303 -2.665 -1.845 1.00 62.14 C ATOM 24 CD GLN A 111 5.385 -3.533 -1.233 1.00 45.54 C ATOM 25 OE1 GLN A 111 5.772 -4.555 -1.800 1.00 35.52 O ATOM 26 NE2 GLN A 111 5.882 -3.128 -0.070 1.00 51.43 N ATOM 0 H GLN A 111 4.172 0.898 -2.810 1.00 72.21 H new ATOM 0 HA GLN A 111 6.204 -0.868 -1.573 1.00 22.42 H new ATOM 0 HB2 GLN A 111 3.989 -1.412 -3.551 1.00 72.11 H new ATOM 0 HB3 GLN A 111 5.461 -2.361 -3.619 1.00 72.11 H new ATOM 0 HG2 GLN A 111 3.855 -2.047 -1.067 1.00 62.14 H new ATOM 0 HG3 GLN A 111 3.512 -3.302 -2.241 1.00 62.14 H new ATOM 0 HE21 GLN A 111 5.532 -2.274 0.365 1.00 51.43 H new ATOM 0 HE22 GLN A 111 6.614 -3.671 0.389 1.00 51.43 H new ATOM 35 N THR A 112 7.660 -0.861 -3.738 1.00 44.30 N ATOM 36 CA THR A 112 8.662 -0.518 -4.739 1.00 45.22 C ATOM 37 C THR A 112 9.383 -1.762 -5.244 1.00 65.41 C ATOM 38 O THR A 112 9.380 -2.802 -4.586 1.00 3.15 O ATOM 39 CB THR A 112 9.701 0.471 -4.178 1.00 44.54 C ATOM 40 OG1 THR A 112 10.718 0.720 -5.155 1.00 43.14 O ATOM 41 CG2 THR A 112 10.335 -0.072 -2.907 1.00 30.23 C ATOM 0 H THR A 112 7.850 -1.725 -3.230 1.00 44.30 H new ATOM 0 HA THR A 112 8.133 -0.047 -5.567 1.00 45.22 H new ATOM 0 HB THR A 112 9.190 1.404 -3.940 1.00 44.54 H new ATOM 0 HG1 THR A 112 11.374 1.351 -4.791 1.00 43.14 H new ATOM 0 HG21 THR A 112 11.065 0.644 -2.530 1.00 30.23 H new ATOM 0 HG22 THR A 112 9.562 -0.233 -2.155 1.00 30.23 H new ATOM 0 HG23 THR A 112 10.833 -1.017 -3.124 1.00 30.23 H new ATOM 49 N GLN A 113 10.001 -1.649 -6.416 1.00 13.33 N ATOM 50 CA GLN A 113 10.726 -2.766 -7.008 1.00 62.21 C ATOM 51 C GLN A 113 12.004 -3.060 -6.229 1.00 50.10 C ATOM 52 O GLN A 113 12.683 -2.145 -5.764 1.00 1.24 O ATOM 53 CB GLN A 113 11.063 -2.466 -8.469 1.00 44.45 C ATOM 54 CG GLN A 113 12.263 -1.548 -8.641 1.00 23.04 C ATOM 55 CD GLN A 113 12.065 -0.198 -7.980 1.00 33.22 C ATOM 56 OE1 GLN A 113 11.016 0.430 -8.127 1.00 72.22 O ATOM 57 NE2 GLN A 113 13.074 0.256 -7.246 1.00 34.04 N ATOM 0 H GLN A 113 10.014 -0.795 -6.974 1.00 13.33 H new ATOM 0 HA GLN A 113 10.085 -3.646 -6.964 1.00 62.21 H new ATOM 0 HB2 GLN A 113 11.257 -3.404 -8.989 1.00 44.45 H new ATOM 0 HB3 GLN A 113 10.196 -2.010 -8.947 1.00 44.45 H new ATOM 0 HG2 GLN A 113 13.146 -2.028 -8.220 1.00 23.04 H new ATOM 0 HG3 GLN A 113 12.455 -1.403 -9.704 1.00 23.04 H new ATOM 0 HE21 GLN A 113 13.925 -0.298 -7.151 1.00 34.04 H new ATOM 0 HE22 GLN A 113 12.998 1.158 -6.777 1.00 34.04 H new ATOM 66 N SER A 114 12.325 -4.342 -6.091 1.00 24.23 N ATOM 67 CA SER A 114 13.520 -4.757 -5.364 1.00 52.22 C ATOM 68 C SER A 114 14.469 -5.530 -6.275 1.00 34.21 C ATOM 69 O SER A 114 14.131 -5.852 -7.415 1.00 12.52 O ATOM 70 CB SER A 114 13.136 -5.618 -4.159 1.00 43.12 C ATOM 71 OG SER A 114 12.462 -4.850 -3.178 1.00 33.14 O ATOM 0 H SER A 114 11.775 -5.112 -6.473 1.00 24.23 H new ATOM 0 HA SER A 114 14.032 -3.861 -5.013 1.00 52.22 H new ATOM 0 HB2 SER A 114 12.498 -6.440 -4.484 1.00 43.12 H new ATOM 0 HB3 SER A 114 14.032 -6.062 -3.725 1.00 43.12 H new ATOM 0 HG SER A 114 12.226 -5.423 -2.419 1.00 33.14 H new ATOM 77 N THR A 115 15.659 -5.827 -5.764 1.00 5.44 N ATOM 78 CA THR A 115 16.659 -6.561 -6.529 1.00 53.24 C ATOM 79 C THR A 115 16.738 -8.015 -6.078 1.00 5.42 C ATOM 80 O THR A 115 16.643 -8.312 -4.887 1.00 1.44 O ATOM 81 CB THR A 115 18.052 -5.917 -6.398 1.00 31.12 C ATOM 82 OG1 THR A 115 17.943 -4.492 -6.485 1.00 3.11 O ATOM 83 CG2 THR A 115 18.988 -6.427 -7.483 1.00 42.42 C ATOM 0 H THR A 115 15.954 -5.570 -4.822 1.00 5.44 H new ATOM 0 HA THR A 115 16.348 -6.524 -7.573 1.00 53.24 H new ATOM 0 HB THR A 115 18.465 -6.190 -5.427 1.00 31.12 H new ATOM 0 HG1 THR A 115 18.833 -4.090 -6.399 1.00 3.11 H new ATOM 0 HG21 THR A 115 19.966 -5.958 -7.370 1.00 42.42 H new ATOM 0 HG22 THR A 115 19.092 -7.508 -7.395 1.00 42.42 H new ATOM 0 HG23 THR A 115 18.578 -6.180 -8.462 1.00 42.42 H new ATOM 91 N CYS A 116 16.915 -8.918 -7.036 1.00 74.11 N ATOM 92 CA CYS A 116 17.008 -10.342 -6.738 1.00 32.15 C ATOM 93 C CYS A 116 17.347 -11.140 -7.993 1.00 62.11 C ATOM 94 O CYS A 116 17.093 -10.711 -9.119 1.00 22.40 O ATOM 95 CB CYS A 116 15.693 -10.846 -6.140 1.00 32.15 C ATOM 96 SG CYS A 116 14.207 -10.292 -7.037 1.00 3.14 S ATOM 0 H CYS A 116 16.997 -8.689 -8.026 1.00 74.11 H new ATOM 0 HA CYS A 116 17.808 -10.484 -6.012 1.00 32.15 H new ATOM 0 HB2 CYS A 116 15.708 -11.936 -6.122 1.00 32.15 H new ATOM 0 HB3 CYS A 116 15.625 -10.511 -5.105 1.00 32.15 H new ATOM 101 N PRO A 117 17.935 -12.330 -7.797 1.00 42.41 N ATOM 102 CA PRO A 117 18.321 -13.213 -8.901 1.00 65.21 C ATOM 103 C PRO A 117 17.114 -13.817 -9.610 1.00 50.12 C ATOM 104 O PRO A 117 16.139 -14.208 -8.970 1.00 13.33 O ATOM 105 CB PRO A 117 19.138 -14.308 -8.210 1.00 43.01 C ATOM 106 CG PRO A 117 18.639 -14.324 -6.807 1.00 32.53 C ATOM 107 CD PRO A 117 18.268 -12.904 -6.483 1.00 13.25 C ATOM 0 HA PRO A 117 18.868 -12.679 -9.678 1.00 65.21 H new ATOM 0 HB2 PRO A 117 18.993 -15.274 -8.693 1.00 43.01 H new ATOM 0 HB3 PRO A 117 20.205 -14.089 -8.248 1.00 43.01 H new ATOM 0 HG2 PRO A 117 17.778 -14.985 -6.707 1.00 32.53 H new ATOM 0 HG3 PRO A 117 19.405 -14.693 -6.125 1.00 32.53 H new ATOM 0 HD2 PRO A 117 17.422 -12.856 -5.798 1.00 13.25 H new ATOM 0 HD3 PRO A 117 19.093 -12.371 -6.009 1.00 13.25 H new ATOM 115 N GLU A 118 17.187 -13.890 -10.936 1.00 0.15 N ATOM 116 CA GLU A 118 16.098 -14.446 -11.730 1.00 64.24 C ATOM 117 C GLU A 118 15.775 -15.871 -11.289 1.00 10.43 C ATOM 118 O GLU A 118 16.402 -16.405 -10.373 1.00 73.03 O ATOM 119 CB GLU A 118 16.463 -14.432 -13.216 1.00 43.33 C ATOM 120 CG GLU A 118 15.883 -13.250 -13.974 1.00 53.32 C ATOM 121 CD GLU A 118 14.366 -13.242 -13.970 1.00 64.15 C ATOM 122 OE1 GLU A 118 13.777 -12.722 -13.000 1.00 24.31 O ATOM 123 OE2 GLU A 118 13.769 -13.756 -14.939 1.00 72.42 O ATOM 0 H GLU A 118 17.988 -13.571 -11.482 1.00 0.15 H new ATOM 0 HA GLU A 118 15.215 -13.826 -11.573 1.00 64.24 H new ATOM 0 HB2 GLU A 118 17.548 -14.419 -13.315 1.00 43.33 H new ATOM 0 HB3 GLU A 118 16.112 -15.356 -13.676 1.00 43.33 H new ATOM 0 HG2 GLU A 118 16.249 -12.324 -13.530 1.00 53.32 H new ATOM 0 HG3 GLU A 118 16.240 -13.273 -15.004 1.00 53.32 H new ATOM 130 N ILE A 119 14.793 -16.479 -11.945 1.00 53.42 N ATOM 131 CA ILE A 119 14.386 -17.840 -11.621 1.00 63.30 C ATOM 132 C ILE A 119 15.002 -18.843 -12.590 1.00 62.45 C ATOM 133 O ILE A 119 14.935 -18.688 -13.810 1.00 13.31 O ATOM 134 CB ILE A 119 12.854 -17.992 -11.648 1.00 11.11 C ATOM 135 CG1 ILE A 119 12.200 -16.939 -10.751 1.00 34.22 C ATOM 136 CG2 ILE A 119 12.452 -19.392 -11.210 1.00 25.51 C ATOM 137 CD1 ILE A 119 12.614 -17.040 -9.299 1.00 73.55 C ATOM 0 H ILE A 119 14.264 -16.050 -12.705 1.00 53.42 H new ATOM 0 HA ILE A 119 14.745 -18.045 -10.612 1.00 63.30 H new ATOM 0 HB ILE A 119 12.507 -17.839 -12.670 1.00 11.11 H new ATOM 0 HG12 ILE A 119 12.454 -15.947 -11.125 1.00 34.22 H new ATOM 0 HG13 ILE A 119 11.117 -17.038 -10.819 1.00 34.22 H new ATOM 0 HG21 ILE A 119 11.366 -19.483 -11.235 1.00 25.51 H new ATOM 0 HG22 ILE A 119 12.893 -20.125 -11.885 1.00 25.51 H new ATOM 0 HG23 ILE A 119 12.808 -19.572 -10.196 1.00 25.51 H new ATOM 0 HD11 ILE A 119 12.112 -16.263 -8.723 1.00 73.55 H new ATOM 0 HD12 ILE A 119 12.335 -18.019 -8.908 1.00 73.55 H new ATOM 0 HD13 ILE A 119 13.693 -16.911 -9.219 1.00 73.55 H new ATOM 149 N PRO A 120 15.617 -19.900 -12.038 1.00 14.23 N ATOM 150 CA PRO A 120 16.255 -20.951 -12.835 1.00 74.24 C ATOM 151 C PRO A 120 15.239 -21.809 -13.583 1.00 1.25 C ATOM 152 O PRO A 120 14.381 -22.445 -12.971 1.00 73.42 O ATOM 153 CB PRO A 120 16.996 -21.789 -11.790 1.00 50.34 C ATOM 154 CG PRO A 120 16.248 -21.562 -10.522 1.00 55.45 C ATOM 155 CD PRO A 120 15.735 -20.150 -10.591 1.00 42.53 C ATOM 0 HA PRO A 120 16.903 -20.539 -13.608 1.00 74.24 H new ATOM 0 HB2 PRO A 120 17.003 -22.845 -12.062 1.00 50.34 H new ATOM 0 HB3 PRO A 120 18.036 -21.477 -11.697 1.00 50.34 H new ATOM 0 HG2 PRO A 120 15.426 -22.271 -10.421 1.00 55.45 H new ATOM 0 HG3 PRO A 120 16.896 -21.700 -9.657 1.00 55.45 H new ATOM 0 HD2 PRO A 120 14.775 -20.046 -10.086 1.00 42.53 H new ATOM 0 HD3 PRO A 120 16.422 -19.449 -10.117 1.00 42.53 H new ATOM 163 N ASP A 121 15.343 -21.821 -14.907 1.00 32.42 N ATOM 164 CA ASP A 121 14.434 -22.603 -15.738 1.00 12.44 C ATOM 165 C ASP A 121 15.201 -23.365 -16.813 1.00 73.34 C ATOM 166 O ASP A 121 16.390 -23.129 -17.029 1.00 54.14 O ATOM 167 CB ASP A 121 13.391 -21.691 -16.386 1.00 70.14 C ATOM 168 CG ASP A 121 12.163 -22.452 -16.846 1.00 13.22 C ATOM 169 OD1 ASP A 121 11.697 -23.336 -16.096 1.00 50.32 O ATOM 170 OD2 ASP A 121 11.667 -22.163 -17.955 1.00 13.24 O ATOM 0 H ASP A 121 16.047 -21.299 -15.428 1.00 32.42 H new ATOM 0 HA ASP A 121 13.926 -23.326 -15.099 1.00 12.44 H new ATOM 0 HB2 ASP A 121 13.093 -20.922 -15.674 1.00 70.14 H new ATOM 0 HB3 ASP A 121 13.839 -21.180 -17.238 1.00 70.14 H new ATOM 175 N LYS A 122 14.513 -24.282 -17.485 1.00 71.33 N ATOM 176 CA LYS A 122 15.128 -25.081 -18.539 1.00 52.41 C ATOM 177 C LYS A 122 15.176 -24.305 -19.852 1.00 10.25 C ATOM 178 O LYS A 122 15.762 -24.761 -20.834 1.00 31.10 O ATOM 179 CB LYS A 122 14.355 -26.387 -18.735 1.00 12.23 C ATOM 180 CG LYS A 122 15.233 -27.625 -18.696 1.00 64.21 C ATOM 181 CD LYS A 122 15.561 -28.032 -17.269 1.00 63.13 C ATOM 182 CE LYS A 122 16.863 -27.404 -16.796 1.00 12.54 C ATOM 183 NZ LYS A 122 17.683 -28.359 -16.001 1.00 10.15 N ATOM 0 H LYS A 122 13.529 -24.491 -17.318 1.00 71.33 H new ATOM 0 HA LYS A 122 16.149 -25.312 -18.236 1.00 52.41 H new ATOM 0 HB2 LYS A 122 13.593 -26.468 -17.960 1.00 12.23 H new ATOM 0 HB3 LYS A 122 13.834 -26.351 -19.692 1.00 12.23 H new ATOM 0 HG2 LYS A 122 14.727 -28.447 -19.202 1.00 64.21 H new ATOM 0 HG3 LYS A 122 16.157 -27.434 -19.242 1.00 64.21 H new ATOM 0 HD2 LYS A 122 14.749 -27.730 -16.608 1.00 63.13 H new ATOM 0 HD3 LYS A 122 15.636 -29.118 -17.207 1.00 63.13 H new ATOM 0 HE2 LYS A 122 17.436 -27.064 -17.658 1.00 12.54 H new ATOM 0 HE3 LYS A 122 16.643 -26.524 -16.192 1.00 12.54 H new ATOM 0 HZ1 LYS A 122 18.562 -27.893 -15.697 1.00 10.15 H new ATOM 0 HZ2 LYS A 122 17.146 -28.665 -15.164 1.00 10.15 H new ATOM 0 HZ3 LYS A 122 17.915 -29.188 -16.585 1.00 10.15 H new ATOM 197 N THR A 123 14.557 -23.128 -19.861 1.00 62.14 N ATOM 198 CA THR A 123 14.530 -22.289 -21.053 1.00 11.25 C ATOM 199 C THR A 123 15.247 -20.966 -20.809 1.00 53.44 C ATOM 200 O THR A 123 15.705 -20.315 -21.749 1.00 32.14 O ATOM 201 CB THR A 123 13.086 -22.002 -21.505 1.00 13.24 C ATOM 202 OG1 THR A 123 12.369 -21.335 -20.460 1.00 35.44 O ATOM 203 CG2 THR A 123 12.369 -23.291 -21.876 1.00 53.03 C ATOM 0 H THR A 123 14.068 -22.735 -19.057 1.00 62.14 H new ATOM 0 HA THR A 123 15.046 -22.839 -21.840 1.00 11.25 H new ATOM 0 HB THR A 123 13.125 -21.360 -22.385 1.00 13.24 H new ATOM 0 HG1 THR A 123 12.292 -21.930 -19.685 1.00 35.44 H new ATOM 0 HG21 THR A 123 11.351 -23.063 -22.192 1.00 53.03 H new ATOM 0 HG22 THR A 123 12.901 -23.781 -22.691 1.00 53.03 H new ATOM 0 HG23 THR A 123 12.341 -23.954 -21.011 1.00 53.03 H new ATOM 211 N SER A 124 15.341 -20.573 -19.543 1.00 52.10 N ATOM 212 CA SER A 124 16.000 -19.325 -19.177 1.00 12.42 C ATOM 213 C SER A 124 17.241 -19.593 -18.331 1.00 34.34 C ATOM 214 O SER A 124 17.140 -20.032 -17.184 1.00 43.33 O ATOM 215 CB SER A 124 15.033 -18.418 -18.412 1.00 23.53 C ATOM 216 OG SER A 124 13.735 -18.464 -18.978 1.00 41.22 O ATOM 0 H SER A 124 14.969 -21.101 -18.753 1.00 52.10 H new ATOM 0 HA SER A 124 16.309 -18.824 -20.094 1.00 12.42 H new ATOM 0 HB2 SER A 124 14.989 -18.727 -17.368 1.00 23.53 H new ATOM 0 HB3 SER A 124 15.403 -17.393 -18.426 1.00 23.53 H new ATOM 0 HG SER A 124 13.136 -17.878 -18.470 1.00 41.22 H new ATOM 222 N ILE A 125 18.409 -19.327 -18.904 1.00 61.24 N ATOM 223 CA ILE A 125 19.669 -19.539 -18.203 1.00 45.25 C ATOM 224 C ILE A 125 20.494 -18.257 -18.157 1.00 25.21 C ATOM 225 O ILE A 125 20.277 -17.337 -18.946 1.00 3.24 O ATOM 226 CB ILE A 125 20.504 -20.649 -18.869 1.00 31.33 C ATOM 227 CG1 ILE A 125 19.590 -21.642 -19.589 1.00 74.14 C ATOM 228 CG2 ILE A 125 21.358 -21.364 -17.832 1.00 15.35 C ATOM 229 CD1 ILE A 125 18.610 -22.339 -18.671 1.00 5.34 C ATOM 0 H ILE A 125 18.509 -18.964 -19.852 1.00 61.24 H new ATOM 0 HA ILE A 125 19.418 -19.844 -17.187 1.00 45.25 H new ATOM 0 HB ILE A 125 21.166 -20.193 -19.605 1.00 31.33 H new ATOM 0 HG12 ILE A 125 19.036 -21.115 -20.366 1.00 74.14 H new ATOM 0 HG13 ILE A 125 20.204 -22.392 -20.088 1.00 74.14 H new ATOM 0 HG21 ILE A 125 21.942 -22.145 -18.318 1.00 15.35 H new ATOM 0 HG22 ILE A 125 22.031 -20.649 -17.359 1.00 15.35 H new ATOM 0 HG23 ILE A 125 20.713 -21.811 -17.075 1.00 15.35 H new ATOM 0 HD11 ILE A 125 17.995 -23.028 -19.251 1.00 5.34 H new ATOM 0 HD12 ILE A 125 19.157 -22.894 -17.909 1.00 5.34 H new ATOM 0 HD13 ILE A 125 17.971 -21.598 -18.191 1.00 5.34 H new ATOM 241 N CYS A 126 21.444 -18.205 -17.228 1.00 54.44 N ATOM 242 CA CYS A 126 22.304 -17.037 -17.079 1.00 15.15 C ATOM 243 C CYS A 126 23.723 -17.343 -17.547 1.00 22.23 C ATOM 244 O CYS A 126 24.215 -18.459 -17.382 1.00 0.35 O ATOM 245 CB CYS A 126 22.324 -16.576 -15.620 1.00 21.54 C ATOM 246 SG CYS A 126 23.524 -15.249 -15.276 1.00 35.23 S ATOM 0 H CYS A 126 21.637 -18.958 -16.568 1.00 54.44 H new ATOM 0 HA CYS A 126 21.900 -16.238 -17.700 1.00 15.15 H new ATOM 0 HB2 CYS A 126 21.327 -16.230 -15.346 1.00 21.54 H new ATOM 0 HB3 CYS A 126 22.551 -17.431 -14.983 1.00 21.54 H new ATOM 251 N ASN A 127 24.376 -16.344 -18.132 1.00 20.14 N ATOM 252 CA ASN A 127 25.739 -16.506 -18.624 1.00 61.32 C ATOM 253 C ASN A 127 26.748 -15.938 -17.630 1.00 71.44 C ATOM 254 O ASN A 127 26.373 -15.407 -16.585 1.00 43.33 O ATOM 255 CB ASN A 127 25.899 -15.817 -19.981 1.00 12.55 C ATOM 256 CG ASN A 127 24.641 -15.902 -20.824 1.00 45.41 C ATOM 257 OD1 ASN A 127 24.475 -16.828 -21.618 1.00 52.41 O ATOM 258 ND2 ASN A 127 23.749 -14.933 -20.655 1.00 43.44 N ATOM 0 H ASN A 127 23.983 -15.414 -18.277 1.00 20.14 H new ATOM 0 HA ASN A 127 25.932 -17.572 -18.741 1.00 61.32 H new ATOM 0 HB2 ASN A 127 26.159 -14.770 -19.825 1.00 12.55 H new ATOM 0 HB3 ASN A 127 26.727 -16.274 -20.522 1.00 12.55 H new ATOM 0 HD21 ASN A 127 22.884 -14.937 -21.195 1.00 43.44 H new ATOM 0 HD22 ASN A 127 23.929 -14.185 -19.985 1.00 43.44 H new ATOM 265 N SER A 128 28.029 -16.055 -17.964 1.00 41.34 N ATOM 266 CA SER A 128 29.093 -15.556 -17.100 1.00 54.03 C ATOM 267 C SER A 128 28.972 -14.048 -16.905 1.00 54.31 C ATOM 268 O SER A 128 28.210 -13.379 -17.605 1.00 23.25 O ATOM 269 CB SER A 128 30.462 -15.897 -17.692 1.00 54.22 C ATOM 270 OG SER A 128 30.532 -17.263 -18.060 1.00 62.50 O ATOM 0 H SER A 128 28.356 -16.491 -18.826 1.00 41.34 H new ATOM 0 HA SER A 128 28.995 -16.040 -16.128 1.00 54.03 H new ATOM 0 HB2 SER A 128 30.650 -15.272 -18.565 1.00 54.22 H new ATOM 0 HB3 SER A 128 31.242 -15.673 -16.965 1.00 54.22 H new ATOM 0 HG SER A 128 31.416 -17.455 -18.437 1.00 62.50 H new ATOM 276 N ASP A 129 29.728 -13.519 -15.949 1.00 52.25 N ATOM 277 CA ASP A 129 29.707 -12.089 -15.661 1.00 62.44 C ATOM 278 C ASP A 129 29.962 -11.276 -16.927 1.00 32.41 C ATOM 279 O ASP A 129 29.243 -10.321 -17.217 1.00 50.35 O ATOM 280 CB ASP A 129 30.754 -11.746 -14.601 1.00 21.14 C ATOM 281 CG ASP A 129 32.064 -12.477 -14.822 1.00 11.20 C ATOM 282 OD1 ASP A 129 32.146 -13.670 -14.462 1.00 63.02 O ATOM 283 OD2 ASP A 129 33.006 -11.856 -15.356 1.00 3.31 O ATOM 0 H ASP A 129 30.363 -14.059 -15.360 1.00 52.25 H new ATOM 0 HA ASP A 129 28.718 -11.834 -15.280 1.00 62.44 H new ATOM 0 HB2 ASP A 129 30.935 -10.671 -14.608 1.00 21.14 H new ATOM 0 HB3 ASP A 129 30.364 -11.997 -13.615 1.00 21.14 H new ATOM 288 N ALA A 130 30.990 -11.662 -17.675 1.00 61.21 N ATOM 289 CA ALA A 130 31.339 -10.970 -18.909 1.00 50.15 C ATOM 290 C ALA A 130 30.408 -11.374 -20.048 1.00 20.24 C ATOM 291 O ALA A 130 30.515 -10.862 -21.162 1.00 2.52 O ATOM 292 CB ALA A 130 32.786 -11.254 -19.283 1.00 4.31 C ATOM 0 H ALA A 130 31.596 -12.451 -17.448 1.00 61.21 H new ATOM 0 HA ALA A 130 31.222 -9.899 -18.741 1.00 50.15 H new ATOM 0 HB1 ALA A 130 33.032 -10.731 -20.207 1.00 4.31 H new ATOM 0 HB2 ALA A 130 33.443 -10.909 -18.484 1.00 4.31 H new ATOM 0 HB3 ALA A 130 32.921 -12.326 -19.426 1.00 4.31 H new ATOM 298 N ASP A 131 29.496 -12.296 -19.760 1.00 71.22 N ATOM 299 CA ASP A 131 28.545 -12.769 -20.760 1.00 65.21 C ATOM 300 C ASP A 131 27.117 -12.410 -20.365 1.00 13.53 C ATOM 301 O ASP A 131 26.158 -12.823 -21.017 1.00 52.34 O ATOM 302 CB ASP A 131 28.673 -14.283 -20.940 1.00 15.33 C ATOM 303 CG ASP A 131 27.981 -14.777 -22.195 1.00 44.23 C ATOM 304 OD1 ASP A 131 27.461 -13.935 -22.957 1.00 45.33 O ATOM 305 OD2 ASP A 131 27.961 -16.005 -22.417 1.00 21.55 O ATOM 0 H ASP A 131 29.395 -12.731 -18.843 1.00 71.22 H new ATOM 0 HA ASP A 131 28.775 -12.278 -21.705 1.00 65.21 H new ATOM 0 HB2 ASP A 131 29.728 -14.553 -20.980 1.00 15.33 H new ATOM 0 HB3 ASP A 131 28.248 -14.786 -20.072 1.00 15.33 H new ATOM 310 N CYS A 132 26.982 -11.638 -19.291 1.00 73.12 N ATOM 311 CA CYS A 132 25.671 -11.224 -18.807 1.00 13.52 C ATOM 312 C CYS A 132 25.528 -9.705 -18.856 1.00 31.02 C ATOM 313 O CYS A 132 26.371 -8.973 -18.336 1.00 31.22 O ATOM 314 CB CYS A 132 25.451 -11.721 -17.377 1.00 22.51 C ATOM 315 SG CYS A 132 23.703 -11.996 -16.945 1.00 52.51 S ATOM 0 H CYS A 132 27.765 -11.287 -18.740 1.00 73.12 H new ATOM 0 HA CYS A 132 24.916 -11.665 -19.458 1.00 13.52 H new ATOM 0 HB2 CYS A 132 25.999 -12.653 -17.240 1.00 22.51 H new ATOM 0 HB3 CYS A 132 25.876 -10.996 -16.683 1.00 22.51 H new ATOM 320 N THR A 133 24.454 -9.237 -19.485 1.00 20.13 N ATOM 321 CA THR A 133 24.200 -7.807 -19.603 1.00 3.20 C ATOM 322 C THR A 133 22.945 -7.406 -18.837 1.00 53.01 C ATOM 323 O THR A 133 21.986 -8.170 -18.725 1.00 61.43 O ATOM 324 CB THR A 133 24.047 -7.383 -21.076 1.00 35.50 C ATOM 325 OG1 THR A 133 22.915 -8.040 -21.659 1.00 1.22 O ATOM 326 CG2 THR A 133 25.300 -7.721 -21.870 1.00 35.23 C ATOM 0 H THR A 133 23.746 -9.828 -19.921 1.00 20.13 H new ATOM 0 HA THR A 133 25.062 -7.297 -19.174 1.00 3.20 H new ATOM 0 HB THR A 133 23.897 -6.304 -21.107 1.00 35.50 H new ATOM 0 HG1 THR A 133 22.823 -7.764 -22.595 1.00 1.22 H new ATOM 0 HG21 THR A 133 25.168 -7.412 -22.907 1.00 35.23 H new ATOM 0 HG22 THR A 133 26.155 -7.197 -21.441 1.00 35.23 H new ATOM 0 HG23 THR A 133 25.476 -8.796 -21.831 1.00 35.23 H new ATOM 334 N PRO A 134 22.947 -6.178 -18.297 1.00 31.43 N ATOM 335 CA PRO A 134 21.814 -5.648 -17.533 1.00 11.23 C ATOM 336 C PRO A 134 20.602 -5.364 -18.414 1.00 63.21 C ATOM 337 O PRO A 134 20.657 -5.528 -19.632 1.00 53.42 O ATOM 338 CB PRO A 134 22.362 -4.346 -16.943 1.00 23.13 C ATOM 339 CG PRO A 134 23.451 -3.937 -17.874 1.00 72.20 C ATOM 340 CD PRO A 134 24.055 -5.214 -18.390 1.00 44.53 C ATOM 0 HA PRO A 134 21.461 -6.357 -16.784 1.00 11.23 H new ATOM 0 HB2 PRO A 134 21.587 -3.582 -16.881 1.00 23.13 H new ATOM 0 HB3 PRO A 134 22.741 -4.498 -15.933 1.00 23.13 H new ATOM 0 HG2 PRO A 134 23.059 -3.332 -18.692 1.00 72.20 H new ATOM 0 HG3 PRO A 134 24.198 -3.332 -17.360 1.00 72.20 H new ATOM 0 HD2 PRO A 134 24.408 -5.106 -19.415 1.00 44.53 H new ATOM 0 HD3 PRO A 134 24.910 -5.525 -17.790 1.00 44.53 H new ATOM 348 N GLY A 135 19.509 -4.938 -17.790 1.00 15.33 N ATOM 349 CA GLY A 135 18.299 -4.638 -18.533 1.00 40.04 C ATOM 350 C GLY A 135 17.492 -5.881 -18.853 1.00 42.35 C ATOM 351 O GLY A 135 17.768 -6.960 -18.330 1.00 11.13 O ATOM 0 H GLY A 135 19.439 -4.795 -16.782 1.00 15.33 H new ATOM 0 HA2 GLY A 135 17.684 -3.948 -17.956 1.00 40.04 H new ATOM 0 HA3 GLY A 135 18.563 -4.131 -19.461 1.00 40.04 H new ATOM 355 N SER A 136 16.491 -5.729 -19.715 1.00 4.01 N ATOM 356 CA SER A 136 15.638 -6.847 -20.100 1.00 20.11 C ATOM 357 C SER A 136 14.581 -6.402 -21.106 1.00 33.32 C ATOM 358 O SER A 136 14.635 -5.290 -21.630 1.00 43.15 O ATOM 359 CB SER A 136 14.963 -7.449 -18.866 1.00 61.30 C ATOM 360 OG SER A 136 15.061 -8.863 -18.870 1.00 75.05 O ATOM 0 H SER A 136 16.251 -4.843 -20.160 1.00 4.01 H new ATOM 0 HA SER A 136 16.264 -7.606 -20.569 1.00 20.11 H new ATOM 0 HB2 SER A 136 15.427 -7.052 -17.963 1.00 61.30 H new ATOM 0 HB3 SER A 136 13.914 -7.154 -18.841 1.00 61.30 H new ATOM 0 HG SER A 136 14.624 -9.223 -18.070 1.00 75.05 H new ATOM 366 N VAL A 137 13.618 -7.280 -21.370 1.00 61.12 N ATOM 367 CA VAL A 137 12.547 -6.979 -22.312 1.00 74.21 C ATOM 368 C VAL A 137 11.188 -7.368 -21.741 1.00 14.31 C ATOM 369 O VAL A 137 10.245 -7.639 -22.485 1.00 13.04 O ATOM 370 CB VAL A 137 12.756 -7.709 -23.652 1.00 72.21 C ATOM 371 CG1 VAL A 137 13.993 -7.180 -24.361 1.00 23.40 C ATOM 372 CG2 VAL A 137 12.859 -9.211 -23.430 1.00 2.42 C ATOM 0 H VAL A 137 13.558 -8.205 -20.945 1.00 61.12 H new ATOM 0 HA VAL A 137 12.571 -5.903 -22.485 1.00 74.21 H new ATOM 0 HB VAL A 137 11.892 -7.518 -24.289 1.00 72.21 H new ATOM 0 HG11 VAL A 137 14.124 -7.708 -25.306 1.00 23.40 H new ATOM 0 HG12 VAL A 137 13.874 -6.114 -24.554 1.00 23.40 H new ATOM 0 HG13 VAL A 137 14.869 -7.339 -23.732 1.00 23.40 H new ATOM 0 HG21 VAL A 137 13.006 -9.711 -24.387 1.00 2.42 H new ATOM 0 HG22 VAL A 137 13.704 -9.425 -22.775 1.00 2.42 H new ATOM 0 HG23 VAL A 137 11.941 -9.574 -22.969 1.00 2.42 H new ATOM 382 N ASP A 138 11.094 -7.392 -20.416 1.00 21.00 N ATOM 383 CA ASP A 138 9.849 -7.746 -19.744 1.00 3.13 C ATOM 384 C ASP A 138 9.071 -6.495 -19.347 1.00 25.12 C ATOM 385 O ASP A 138 9.372 -5.857 -18.337 1.00 64.31 O ATOM 386 CB ASP A 138 10.137 -8.597 -18.506 1.00 3.32 C ATOM 387 CG ASP A 138 10.181 -10.079 -18.820 1.00 20.34 C ATOM 388 OD1 ASP A 138 10.592 -10.436 -19.944 1.00 24.34 O ATOM 389 OD2 ASP A 138 9.805 -10.883 -17.941 1.00 14.51 O ATOM 0 H ASP A 138 11.865 -7.171 -19.786 1.00 21.00 H new ATOM 0 HA ASP A 138 9.241 -8.325 -20.440 1.00 3.13 H new ATOM 0 HB2 ASP A 138 11.089 -8.292 -18.073 1.00 3.32 H new ATOM 0 HB3 ASP A 138 9.370 -8.410 -17.754 1.00 3.32 H new ATOM 394 N THR A 139 8.069 -6.148 -20.149 1.00 24.04 N ATOM 395 CA THR A 139 7.250 -4.973 -19.883 1.00 13.42 C ATOM 396 C THR A 139 6.301 -5.217 -18.715 1.00 1.52 C ATOM 397 O THR A 139 5.922 -4.285 -18.004 1.00 42.45 O ATOM 398 CB THR A 139 6.428 -4.569 -21.121 1.00 74.34 C ATOM 399 OG1 THR A 139 7.298 -4.352 -22.237 1.00 50.35 O ATOM 400 CG2 THR A 139 5.620 -3.309 -20.848 1.00 64.22 C ATOM 0 H THR A 139 7.806 -6.665 -20.988 1.00 24.04 H new ATOM 0 HA THR A 139 7.933 -4.163 -19.629 1.00 13.42 H new ATOM 0 HB THR A 139 5.738 -5.380 -21.351 1.00 74.34 H new ATOM 0 HG1 THR A 139 6.768 -4.097 -23.021 1.00 50.35 H new ATOM 0 HG21 THR A 139 5.048 -3.044 -21.737 1.00 64.22 H new ATOM 0 HG22 THR A 139 4.937 -3.487 -20.017 1.00 64.22 H new ATOM 0 HG23 THR A 139 6.295 -2.492 -20.594 1.00 64.22 H new ATOM 408 N HIS A 140 5.921 -6.475 -18.520 1.00 73.32 N ATOM 409 CA HIS A 140 5.016 -6.842 -17.436 1.00 43.20 C ATOM 410 C HIS A 140 5.789 -7.087 -16.144 1.00 21.25 C ATOM 411 O HIS A 140 5.382 -6.640 -15.071 1.00 44.33 O ATOM 412 CB HIS A 140 4.217 -8.090 -17.811 1.00 15.24 C ATOM 413 CG HIS A 140 5.072 -9.248 -18.223 1.00 50.12 C ATOM 414 ND1 HIS A 140 5.542 -10.191 -17.334 1.00 32.12 N ATOM 415 CD2 HIS A 140 5.541 -9.613 -19.439 1.00 73.33 C ATOM 416 CE1 HIS A 140 6.264 -11.086 -17.985 1.00 0.53 C ATOM 417 NE2 HIS A 140 6.279 -10.758 -19.264 1.00 74.12 N ATOM 0 H HIS A 140 6.225 -7.258 -19.098 1.00 73.32 H new ATOM 0 HA HIS A 140 4.326 -6.014 -17.275 1.00 43.20 H new ATOM 0 HB2 HIS A 140 3.603 -8.387 -16.961 1.00 15.24 H new ATOM 0 HB3 HIS A 140 3.536 -7.844 -18.626 1.00 15.24 H new ATOM 0 HD2 HIS A 140 5.367 -9.099 -20.373 1.00 73.33 H new ATOM 0 HE1 HIS A 140 6.758 -11.940 -17.546 1.00 0.53 H new ATOM 0 HE2 HIS A 140 6.760 -11.272 -20.002 1.00 74.12 H new ATOM 425 N SER A 141 6.905 -7.801 -16.253 1.00 73.32 N ATOM 426 CA SER A 141 7.732 -8.110 -15.093 1.00 32.23 C ATOM 427 C SER A 141 8.530 -6.887 -14.653 1.00 41.54 C ATOM 428 O SER A 141 8.896 -6.757 -13.485 1.00 50.12 O ATOM 429 CB SER A 141 8.682 -9.266 -15.410 1.00 63.24 C ATOM 430 OG SER A 141 8.991 -10.008 -14.243 1.00 44.21 O ATOM 0 H SER A 141 7.257 -8.176 -17.134 1.00 73.32 H new ATOM 0 HA SER A 141 7.073 -8.405 -14.277 1.00 32.23 H new ATOM 0 HB2 SER A 141 8.226 -9.922 -16.152 1.00 63.24 H new ATOM 0 HB3 SER A 141 9.600 -8.876 -15.850 1.00 63.24 H new ATOM 0 HG SER A 141 9.598 -10.742 -14.473 1.00 44.21 H new ATOM 436 N SER A 142 8.797 -5.991 -15.599 1.00 33.02 N ATOM 437 CA SER A 142 9.555 -4.779 -15.312 1.00 11.03 C ATOM 438 C SER A 142 10.896 -5.117 -14.668 1.00 10.15 C ATOM 439 O SER A 142 11.449 -4.325 -13.906 1.00 14.24 O ATOM 440 CB SER A 142 8.753 -3.856 -14.392 1.00 73.12 C ATOM 441 OG SER A 142 7.401 -3.772 -14.808 1.00 35.14 O ATOM 0 H SER A 142 8.499 -6.082 -16.570 1.00 33.02 H new ATOM 0 HA SER A 142 9.743 -4.266 -16.255 1.00 11.03 H new ATOM 0 HB2 SER A 142 8.800 -4.228 -13.368 1.00 73.12 H new ATOM 0 HB3 SER A 142 9.199 -2.861 -14.391 1.00 73.12 H new ATOM 0 HG SER A 142 6.909 -3.178 -14.203 1.00 35.14 H new ATOM 447 N GLY A 143 11.414 -6.301 -14.980 1.00 60.01 N ATOM 448 CA GLY A 143 12.686 -6.724 -14.424 1.00 33.52 C ATOM 449 C GLY A 143 13.868 -6.173 -15.195 1.00 4.20 C ATOM 450 O GLY A 143 13.931 -6.291 -16.419 1.00 33.22 O ATOM 0 H GLY A 143 10.975 -6.975 -15.608 1.00 60.01 H new ATOM 0 HA2 GLY A 143 12.751 -6.400 -13.385 1.00 33.52 H new ATOM 0 HA3 GLY A 143 12.734 -7.813 -14.421 1.00 33.52 H new ATOM 454 N VAL A 144 14.809 -5.566 -14.478 1.00 63.13 N ATOM 455 CA VAL A 144 15.996 -4.993 -15.103 1.00 33.21 C ATOM 456 C VAL A 144 17.263 -5.683 -14.611 1.00 61.22 C ATOM 457 O VAL A 144 17.679 -5.498 -13.468 1.00 22.20 O ATOM 458 CB VAL A 144 16.104 -3.483 -14.821 1.00 43.22 C ATOM 459 CG1 VAL A 144 17.228 -2.866 -15.641 1.00 34.13 C ATOM 460 CG2 VAL A 144 14.781 -2.791 -15.110 1.00 13.10 C ATOM 0 H VAL A 144 14.772 -5.458 -13.464 1.00 63.13 H new ATOM 0 HA VAL A 144 15.895 -5.148 -16.177 1.00 33.21 H new ATOM 0 HB VAL A 144 16.337 -3.344 -13.765 1.00 43.22 H new ATOM 0 HG11 VAL A 144 17.290 -1.799 -15.429 1.00 34.13 H new ATOM 0 HG12 VAL A 144 18.173 -3.343 -15.380 1.00 34.13 H new ATOM 0 HG13 VAL A 144 17.028 -3.014 -16.702 1.00 34.13 H new ATOM 0 HG21 VAL A 144 14.876 -1.725 -14.905 1.00 13.10 H new ATOM 0 HG22 VAL A 144 14.515 -2.937 -16.157 1.00 13.10 H new ATOM 0 HG23 VAL A 144 14.003 -3.215 -14.475 1.00 13.10 H new ATOM 470 N ALA A 145 17.873 -6.479 -15.483 1.00 61.32 N ATOM 471 CA ALA A 145 19.095 -7.195 -15.139 1.00 20.51 C ATOM 472 C ALA A 145 20.178 -6.235 -14.660 1.00 11.32 C ATOM 473 O ALA A 145 20.250 -5.090 -15.107 1.00 53.44 O ATOM 474 CB ALA A 145 19.590 -7.999 -16.332 1.00 50.04 C ATOM 0 H ALA A 145 17.541 -6.644 -16.433 1.00 61.32 H new ATOM 0 HA ALA A 145 18.867 -7.880 -14.323 1.00 20.51 H new ATOM 0 HB1 ALA A 145 20.503 -8.528 -16.060 1.00 50.04 H new ATOM 0 HB2 ALA A 145 18.827 -8.719 -16.627 1.00 50.04 H new ATOM 0 HB3 ALA A 145 19.795 -7.326 -17.165 1.00 50.04 H new ATOM 480 N THR A 146 21.020 -6.707 -13.746 1.00 31.22 N ATOM 481 CA THR A 146 22.098 -5.890 -13.204 1.00 50.44 C ATOM 482 C THR A 146 23.407 -6.146 -13.943 1.00 34.11 C ATOM 483 O THR A 146 24.185 -5.225 -14.185 1.00 2.13 O ATOM 484 CB THR A 146 22.308 -6.159 -11.702 1.00 71.45 C ATOM 485 OG1 THR A 146 22.983 -7.409 -11.519 1.00 0.22 O ATOM 486 CG2 THR A 146 20.977 -6.183 -10.966 1.00 21.22 C ATOM 0 H THR A 146 20.976 -7.652 -13.365 1.00 31.22 H new ATOM 0 HA THR A 146 21.804 -4.849 -13.341 1.00 50.44 H new ATOM 0 HB THR A 146 22.917 -5.354 -11.292 1.00 71.45 H new ATOM 0 HG1 THR A 146 23.171 -7.543 -10.567 1.00 0.22 H new ATOM 0 HG21 THR A 146 21.150 -6.375 -9.907 1.00 21.22 H new ATOM 0 HG22 THR A 146 20.479 -5.221 -11.084 1.00 21.22 H new ATOM 0 HG23 THR A 146 20.347 -6.971 -11.379 1.00 21.22 H new ATOM 494 N GLY A 147 23.643 -7.405 -14.300 1.00 75.10 N ATOM 495 CA GLY A 147 24.858 -7.760 -15.008 1.00 44.24 C ATOM 496 C GLY A 147 25.623 -8.875 -14.324 1.00 64.44 C ATOM 497 O GLY A 147 26.408 -9.580 -14.960 1.00 40.41 O ATOM 0 H GLY A 147 23.014 -8.185 -14.111 1.00 75.10 H new ATOM 0 HA2 GLY A 147 24.607 -8.066 -16.024 1.00 44.24 H new ATOM 0 HA3 GLY A 147 25.498 -6.881 -15.089 1.00 44.24 H new ATOM 501 N ARG A 148 25.396 -9.036 -13.025 1.00 24.22 N ATOM 502 CA ARG A 148 26.073 -10.072 -12.254 1.00 34.25 C ATOM 503 C ARG A 148 25.304 -11.389 -12.321 1.00 3.12 C ATOM 504 O ARG A 148 24.076 -11.400 -12.410 1.00 42.44 O ATOM 505 CB ARG A 148 26.228 -9.634 -10.796 1.00 55.32 C ATOM 506 CG ARG A 148 27.559 -8.962 -10.500 1.00 74.14 C ATOM 507 CD ARG A 148 27.467 -8.056 -9.283 1.00 30.15 C ATOM 508 NE ARG A 148 28.638 -8.181 -8.418 1.00 54.23 N ATOM 509 CZ ARG A 148 28.854 -9.219 -7.619 1.00 34.41 C ATOM 510 NH1 ARG A 148 27.983 -10.218 -7.574 1.00 71.34 N ATOM 511 NH2 ARG A 148 29.943 -9.260 -6.862 1.00 72.51 N ATOM 0 H ARG A 148 24.749 -8.463 -12.484 1.00 24.22 H new ATOM 0 HA ARG A 148 27.061 -10.225 -12.687 1.00 34.25 H new ATOM 0 HB2 ARG A 148 25.420 -8.947 -10.544 1.00 55.32 H new ATOM 0 HB3 ARG A 148 26.119 -10.505 -10.150 1.00 55.32 H new ATOM 0 HG2 ARG A 148 28.322 -9.722 -10.332 1.00 74.14 H new ATOM 0 HG3 ARG A 148 27.874 -8.379 -11.366 1.00 74.14 H new ATOM 0 HD2 ARG A 148 27.366 -7.021 -9.609 1.00 30.15 H new ATOM 0 HD3 ARG A 148 26.569 -8.301 -8.716 1.00 30.15 H new ATOM 0 HE ARG A 148 29.327 -7.429 -8.429 1.00 54.23 H new ATOM 0 HH11 ARG A 148 27.145 -10.190 -8.154 1.00 71.34 H new ATOM 0 HH12 ARG A 148 28.152 -11.014 -6.959 1.00 71.34 H new ATOM 0 HH21 ARG A 148 30.615 -8.493 -6.894 1.00 72.51 H new ATOM 0 HH22 ARG A 148 30.108 -10.058 -6.248 1.00 72.51 H new ATOM 525 N CYS A 149 26.036 -12.498 -12.278 1.00 14.54 N ATOM 526 CA CYS A 149 25.425 -13.820 -12.335 1.00 15.15 C ATOM 527 C CYS A 149 25.768 -14.632 -11.089 1.00 0.10 C ATOM 528 O CYS A 149 26.860 -14.507 -10.534 1.00 40.35 O ATOM 529 CB CYS A 149 25.889 -14.566 -13.587 1.00 51.31 C ATOM 530 SG CYS A 149 24.916 -16.058 -13.967 1.00 61.32 S ATOM 0 H CYS A 149 27.053 -12.507 -12.204 1.00 14.54 H new ATOM 0 HA CYS A 149 24.343 -13.691 -12.377 1.00 15.15 H new ATOM 0 HB2 CYS A 149 25.842 -13.888 -14.439 1.00 51.31 H new ATOM 0 HB3 CYS A 149 26.934 -14.849 -13.462 1.00 51.31 H new ATOM 535 N VAL A 150 24.828 -15.465 -10.655 1.00 33.05 N ATOM 536 CA VAL A 150 25.030 -16.299 -9.476 1.00 4.12 C ATOM 537 C VAL A 150 24.292 -17.626 -9.608 1.00 14.01 C ATOM 538 O VAL A 150 23.214 -17.709 -10.198 1.00 64.21 O ATOM 539 CB VAL A 150 24.557 -15.586 -8.195 1.00 50.45 C ATOM 540 CG1 VAL A 150 25.208 -14.216 -8.075 1.00 63.30 C ATOM 541 CG2 VAL A 150 23.040 -15.467 -8.182 1.00 5.20 C ATOM 0 H VAL A 150 23.919 -15.580 -11.102 1.00 33.05 H new ATOM 0 HA VAL A 150 26.101 -16.488 -9.403 1.00 4.12 H new ATOM 0 HB VAL A 150 24.860 -16.182 -7.334 1.00 50.45 H new ATOM 0 HG11 VAL A 150 24.862 -13.727 -7.164 1.00 63.30 H new ATOM 0 HG12 VAL A 150 26.291 -14.330 -8.036 1.00 63.30 H new ATOM 0 HG13 VAL A 150 24.938 -13.608 -8.938 1.00 63.30 H new ATOM 0 HG21 VAL A 150 22.723 -14.961 -7.270 1.00 5.20 H new ATOM 0 HG22 VAL A 150 22.713 -14.893 -9.049 1.00 5.20 H new ATOM 0 HG23 VAL A 150 22.597 -16.462 -8.218 1.00 5.20 H new ATOM 551 N PRO A 151 24.882 -18.691 -9.045 1.00 44.42 N ATOM 552 CA PRO A 151 24.297 -20.034 -9.086 1.00 23.04 C ATOM 553 C PRO A 151 23.047 -20.148 -8.221 1.00 13.14 C ATOM 554 O PRO A 151 23.114 -20.572 -7.067 1.00 22.22 O ATOM 555 CB PRO A 151 25.413 -20.924 -8.532 1.00 41.31 C ATOM 556 CG PRO A 151 26.229 -20.019 -7.675 1.00 1.21 C ATOM 557 CD PRO A 151 26.167 -18.665 -8.326 1.00 11.34 C ATOM 0 HA PRO A 151 23.974 -20.307 -10.090 1.00 23.04 H new ATOM 0 HB2 PRO A 151 25.007 -21.755 -7.956 1.00 41.31 H new ATOM 0 HB3 PRO A 151 26.011 -21.355 -9.335 1.00 41.31 H new ATOM 0 HG2 PRO A 151 25.834 -19.982 -6.660 1.00 1.21 H new ATOM 0 HG3 PRO A 151 27.258 -20.371 -7.604 1.00 1.21 H new ATOM 0 HD2 PRO A 151 26.199 -17.863 -7.589 1.00 11.34 H new ATOM 0 HD3 PRO A 151 27.005 -18.507 -9.005 1.00 11.34 H new ATOM 565 N PHE A 152 21.906 -19.767 -8.785 1.00 54.22 N ATOM 566 CA PHE A 152 20.639 -19.826 -8.065 1.00 1.22 C ATOM 567 C PHE A 152 20.420 -21.211 -7.462 1.00 41.54 C ATOM 568 O PHE A 152 20.063 -21.340 -6.292 1.00 71.54 O ATOM 569 CB PHE A 152 19.480 -19.475 -8.999 1.00 54.34 C ATOM 570 CG PHE A 152 18.196 -19.180 -8.278 1.00 32.35 C ATOM 571 CD1 PHE A 152 17.503 -20.190 -7.630 1.00 35.02 C ATOM 572 CD2 PHE A 152 17.682 -17.894 -8.247 1.00 40.11 C ATOM 573 CE1 PHE A 152 16.321 -19.923 -6.964 1.00 40.52 C ATOM 574 CE2 PHE A 152 16.501 -17.620 -7.583 1.00 23.32 C ATOM 575 CZ PHE A 152 15.819 -18.636 -6.942 1.00 3.03 C ATOM 0 H PHE A 152 21.832 -19.414 -9.739 1.00 54.22 H new ATOM 0 HA PHE A 152 20.676 -19.098 -7.255 1.00 1.22 H new ATOM 0 HB2 PHE A 152 19.757 -18.608 -9.599 1.00 54.34 H new ATOM 0 HB3 PHE A 152 19.317 -20.302 -9.690 1.00 54.34 H new ATOM 0 HD1 PHE A 152 17.891 -21.198 -7.645 1.00 35.02 H new ATOM 0 HD2 PHE A 152 18.210 -17.096 -8.748 1.00 40.11 H new ATOM 0 HE1 PHE A 152 15.791 -20.719 -6.462 1.00 40.52 H new ATOM 0 HE2 PHE A 152 16.112 -16.613 -7.565 1.00 23.32 H new ATOM 0 HZ PHE A 152 14.895 -18.425 -6.425 1.00 3.03 H new ATOM 585 N ASN A 153 20.637 -22.242 -8.272 1.00 34.44 N ATOM 586 CA ASN A 153 20.462 -23.618 -7.820 1.00 1.03 C ATOM 587 C ASN A 153 21.784 -24.379 -7.869 1.00 54.25 C ATOM 588 O ASN A 153 22.826 -23.811 -8.194 1.00 13.43 O ATOM 589 CB ASN A 153 19.417 -24.331 -8.681 1.00 5.02 C ATOM 590 CG ASN A 153 17.999 -23.956 -8.297 1.00 71.43 C ATOM 591 OD1 ASN A 153 17.753 -23.449 -7.203 1.00 3.21 O ATOM 592 ND2 ASN A 153 17.057 -24.206 -9.199 1.00 72.13 N ATOM 0 H ASN A 153 20.934 -22.151 -9.244 1.00 34.44 H new ATOM 0 HA ASN A 153 20.116 -23.594 -6.787 1.00 1.03 H new ATOM 0 HB2 ASN A 153 19.584 -24.084 -9.729 1.00 5.02 H new ATOM 0 HB3 ASN A 153 19.544 -25.409 -8.583 1.00 5.02 H new ATOM 0 HD21 ASN A 153 16.084 -23.976 -8.997 1.00 72.13 H new ATOM 0 HD22 ASN A 153 17.307 -24.628 -10.094 1.00 72.13 H new ATOM 599 N GLU A 154 21.731 -25.667 -7.546 1.00 70.35 N ATOM 600 CA GLU A 154 22.924 -26.505 -7.554 1.00 62.44 C ATOM 601 C GLU A 154 23.228 -27.007 -8.963 1.00 54.34 C ATOM 602 O GLU A 154 24.375 -27.305 -9.294 1.00 42.41 O ATOM 603 CB GLU A 154 22.747 -27.693 -6.606 1.00 13.10 C ATOM 604 CG GLU A 154 22.561 -27.289 -5.153 1.00 55.11 C ATOM 605 CD GLU A 154 23.870 -26.942 -4.472 1.00 11.32 C ATOM 606 OE1 GLU A 154 24.709 -27.851 -4.303 1.00 3.03 O ATOM 607 OE2 GLU A 154 24.055 -25.762 -4.108 1.00 3.15 O ATOM 0 H GLU A 154 20.876 -26.153 -7.276 1.00 70.35 H new ATOM 0 HA GLU A 154 23.763 -25.899 -7.213 1.00 62.44 H new ATOM 0 HB2 GLU A 154 21.884 -28.277 -6.926 1.00 13.10 H new ATOM 0 HB3 GLU A 154 23.618 -28.343 -6.685 1.00 13.10 H new ATOM 0 HG2 GLU A 154 21.890 -26.431 -5.101 1.00 55.11 H new ATOM 0 HG3 GLU A 154 22.079 -28.103 -4.612 1.00 55.11 H new ATOM 614 N SER A 155 22.190 -27.098 -9.789 1.00 52.41 N ATOM 615 CA SER A 155 22.343 -27.567 -11.161 1.00 45.11 C ATOM 616 C SER A 155 21.916 -26.491 -12.154 1.00 54.24 C ATOM 617 O SER A 155 21.886 -26.722 -13.363 1.00 54.03 O ATOM 618 CB SER A 155 21.521 -28.838 -11.383 1.00 1.30 C ATOM 619 OG SER A 155 21.880 -29.846 -10.454 1.00 13.11 O ATOM 0 H SER A 155 21.234 -26.853 -9.531 1.00 52.41 H new ATOM 0 HA SER A 155 23.397 -27.791 -11.326 1.00 45.11 H new ATOM 0 HB2 SER A 155 20.460 -28.610 -11.285 1.00 1.30 H new ATOM 0 HB3 SER A 155 21.676 -29.203 -12.398 1.00 1.30 H new ATOM 0 HG SER A 155 21.339 -30.647 -10.616 1.00 13.11 H new ATOM 625 N VAL A 156 21.585 -25.313 -11.635 1.00 51.30 N ATOM 626 CA VAL A 156 21.159 -24.199 -12.475 1.00 24.32 C ATOM 627 C VAL A 156 21.644 -22.869 -11.910 1.00 41.32 C ATOM 628 O VAL A 156 21.822 -22.722 -10.701 1.00 20.43 O ATOM 629 CB VAL A 156 19.626 -24.157 -12.616 1.00 2.31 C ATOM 630 CG1 VAL A 156 19.215 -23.133 -13.663 1.00 75.21 C ATOM 631 CG2 VAL A 156 19.085 -25.535 -12.964 1.00 21.10 C ATOM 0 H VAL A 156 21.604 -25.105 -10.637 1.00 51.30 H new ATOM 0 HA VAL A 156 21.602 -24.356 -13.458 1.00 24.32 H new ATOM 0 HB VAL A 156 19.198 -23.856 -11.660 1.00 2.31 H new ATOM 0 HG11 VAL A 156 18.129 -23.117 -13.749 1.00 75.21 H new ATOM 0 HG12 VAL A 156 19.570 -22.146 -13.366 1.00 75.21 H new ATOM 0 HG13 VAL A 156 19.651 -23.401 -14.625 1.00 75.21 H new ATOM 0 HG21 VAL A 156 18.000 -25.487 -13.060 1.00 21.10 H new ATOM 0 HG22 VAL A 156 19.518 -25.868 -13.907 1.00 21.10 H new ATOM 0 HG23 VAL A 156 19.348 -26.239 -12.175 1.00 21.10 H new ATOM 641 N LYS A 157 21.856 -21.899 -12.794 1.00 31.40 N ATOM 642 CA LYS A 157 22.319 -20.578 -12.385 1.00 75.43 C ATOM 643 C LYS A 157 21.532 -19.482 -13.097 1.00 32.33 C ATOM 644 O LYS A 157 21.112 -19.648 -14.243 1.00 24.03 O ATOM 645 CB LYS A 157 23.812 -20.424 -12.682 1.00 52.14 C ATOM 646 CG LYS A 157 24.641 -21.629 -12.274 1.00 21.03 C ATOM 647 CD LYS A 157 26.115 -21.279 -12.160 1.00 3.33 C ATOM 648 CE LYS A 157 26.731 -21.009 -13.524 1.00 41.30 C ATOM 649 NZ LYS A 157 27.020 -22.270 -14.261 1.00 45.23 N ATOM 0 H LYS A 157 21.714 -22.003 -13.799 1.00 31.40 H new ATOM 0 HA LYS A 157 22.157 -20.479 -11.312 1.00 75.43 H new ATOM 0 HB2 LYS A 157 23.945 -20.247 -13.749 1.00 52.14 H new ATOM 0 HB3 LYS A 157 24.188 -19.542 -12.163 1.00 52.14 H new ATOM 0 HG2 LYS A 157 24.282 -22.012 -11.319 1.00 21.03 H new ATOM 0 HG3 LYS A 157 24.511 -22.426 -13.006 1.00 21.03 H new ATOM 0 HD2 LYS A 157 26.233 -20.400 -11.526 1.00 3.33 H new ATOM 0 HD3 LYS A 157 26.648 -22.097 -11.674 1.00 3.33 H new ATOM 0 HE2 LYS A 157 26.053 -20.391 -14.113 1.00 41.30 H new ATOM 0 HE3 LYS A 157 27.653 -20.441 -13.400 1.00 41.30 H new ATOM 0 HZ1 LYS A 157 27.439 -22.044 -15.186 1.00 45.23 H new ATOM 0 HZ2 LYS A 157 27.687 -22.848 -13.711 1.00 45.23 H new ATOM 0 HZ3 LYS A 157 26.136 -22.800 -14.402 1.00 45.23 H new ATOM 663 N THR A 158 21.336 -18.360 -12.411 1.00 34.43 N ATOM 664 CA THR A 158 20.600 -17.237 -12.977 1.00 71.10 C ATOM 665 C THR A 158 21.364 -15.931 -12.793 1.00 53.20 C ATOM 666 O THR A 158 22.422 -15.902 -12.164 1.00 42.25 O ATOM 667 CB THR A 158 19.206 -17.098 -12.336 1.00 60.13 C ATOM 668 OG1 THR A 158 19.335 -16.800 -10.942 1.00 24.23 O ATOM 669 CG2 THR A 158 18.399 -18.375 -12.515 1.00 32.15 C ATOM 0 H THR A 158 21.677 -18.205 -11.462 1.00 34.43 H new ATOM 0 HA THR A 158 20.483 -17.440 -14.042 1.00 71.10 H new ATOM 0 HB THR A 158 18.681 -16.283 -12.834 1.00 60.13 H new ATOM 0 HG1 THR A 158 18.462 -16.539 -10.581 1.00 24.23 H new ATOM 0 HG21 THR A 158 17.419 -18.253 -12.054 1.00 32.15 H new ATOM 0 HG22 THR A 158 18.277 -18.583 -13.578 1.00 32.15 H new ATOM 0 HG23 THR A 158 18.922 -19.205 -12.041 1.00 32.15 H new ATOM 677 N CYS A 159 20.821 -14.851 -13.344 1.00 53.44 N ATOM 678 CA CYS A 159 21.451 -13.540 -13.241 1.00 54.12 C ATOM 679 C CYS A 159 20.621 -12.605 -12.365 1.00 63.23 C ATOM 680 O CYS A 159 19.426 -12.822 -12.167 1.00 65.51 O ATOM 681 CB CYS A 159 21.632 -12.927 -14.631 1.00 52.03 C ATOM 682 SG CYS A 159 23.371 -12.714 -15.129 1.00 1.31 S ATOM 0 H CYS A 159 19.945 -14.858 -13.867 1.00 53.44 H new ATOM 0 HA CYS A 159 22.429 -13.670 -12.778 1.00 54.12 H new ATOM 0 HB2 CYS A 159 21.130 -13.560 -15.363 1.00 52.03 H new ATOM 0 HB3 CYS A 159 21.137 -11.956 -14.656 1.00 52.03 H new ATOM 687 N GLU A 160 21.265 -11.565 -11.844 1.00 72.14 N ATOM 688 CA GLU A 160 20.586 -10.598 -10.990 1.00 24.05 C ATOM 689 C GLU A 160 19.650 -9.712 -11.807 1.00 4.14 C ATOM 690 O GLU A 160 19.966 -9.328 -12.933 1.00 25.22 O ATOM 691 CB GLU A 160 21.609 -9.733 -10.249 1.00 54.13 C ATOM 692 CG GLU A 160 21.582 -9.915 -8.741 1.00 70.41 C ATOM 693 CD GLU A 160 22.914 -9.594 -8.091 1.00 14.31 C ATOM 694 OE1 GLU A 160 23.793 -9.038 -8.782 1.00 12.14 O ATOM 695 OE2 GLU A 160 23.076 -9.898 -6.890 1.00 53.15 O ATOM 0 H GLU A 160 22.254 -11.371 -11.998 1.00 72.14 H new ATOM 0 HA GLU A 160 19.991 -11.149 -10.262 1.00 24.05 H new ATOM 0 HB2 GLU A 160 22.607 -9.970 -10.617 1.00 54.13 H new ATOM 0 HB3 GLU A 160 21.423 -8.685 -10.483 1.00 54.13 H new ATOM 0 HG2 GLU A 160 20.810 -9.274 -8.315 1.00 70.41 H new ATOM 0 HG3 GLU A 160 21.307 -10.943 -8.508 1.00 70.41 H new ATOM 702 N VAL A 161 18.496 -9.391 -11.231 1.00 21.13 N ATOM 703 CA VAL A 161 17.514 -8.550 -11.904 1.00 34.20 C ATOM 704 C VAL A 161 16.703 -7.740 -10.899 1.00 11.12 C ATOM 705 O VAL A 161 16.385 -8.220 -9.812 1.00 34.25 O ATOM 706 CB VAL A 161 16.551 -9.390 -12.765 1.00 25.33 C ATOM 707 CG1 VAL A 161 15.769 -10.364 -11.896 1.00 43.22 C ATOM 708 CG2 VAL A 161 15.611 -8.487 -13.548 1.00 13.15 C ATOM 0 H VAL A 161 18.218 -9.701 -10.300 1.00 21.13 H new ATOM 0 HA VAL A 161 18.070 -7.871 -12.550 1.00 34.20 H new ATOM 0 HB VAL A 161 17.139 -9.968 -13.478 1.00 25.33 H new ATOM 0 HG11 VAL A 161 15.094 -10.949 -12.521 1.00 43.22 H new ATOM 0 HG12 VAL A 161 16.462 -11.033 -11.386 1.00 43.22 H new ATOM 0 HG13 VAL A 161 15.190 -9.809 -11.158 1.00 43.22 H new ATOM 0 HG21 VAL A 161 14.938 -9.097 -14.150 1.00 13.15 H new ATOM 0 HG22 VAL A 161 15.028 -7.880 -12.855 1.00 13.15 H new ATOM 0 HG23 VAL A 161 16.192 -7.835 -14.201 1.00 13.15 H new ATOM 718 N ALA A 162 16.371 -6.508 -11.270 1.00 43.35 N ATOM 719 CA ALA A 162 15.595 -5.631 -10.403 1.00 1.15 C ATOM 720 C ALA A 162 14.120 -5.641 -10.789 1.00 60.41 C ATOM 721 O ALA A 162 13.730 -5.061 -11.801 1.00 52.53 O ATOM 722 CB ALA A 162 16.146 -4.214 -10.455 1.00 4.30 C ATOM 0 H ALA A 162 16.628 -6.095 -12.166 1.00 43.35 H new ATOM 0 HA ALA A 162 15.679 -6.005 -9.382 1.00 1.15 H new ATOM 0 HB1 ALA A 162 15.556 -3.570 -9.802 1.00 4.30 H new ATOM 0 HB2 ALA A 162 17.184 -4.215 -10.122 1.00 4.30 H new ATOM 0 HB3 ALA A 162 16.093 -3.840 -11.478 1.00 4.30 H new ATOM 728 N ALA A 163 13.305 -6.306 -9.977 1.00 30.23 N ATOM 729 CA ALA A 163 11.873 -6.391 -10.233 1.00 73.04 C ATOM 730 C ALA A 163 11.092 -6.568 -8.936 1.00 12.24 C ATOM 731 O ALA A 163 11.659 -6.498 -7.845 1.00 74.20 O ATOM 732 CB ALA A 163 11.575 -7.535 -11.191 1.00 31.41 C ATOM 0 H ALA A 163 13.613 -6.794 -9.136 1.00 30.23 H new ATOM 0 HA ALA A 163 11.556 -5.455 -10.692 1.00 73.04 H new ATOM 0 HB1 ALA A 163 10.502 -7.587 -11.373 1.00 31.41 H new ATOM 0 HB2 ALA A 163 12.095 -7.365 -12.134 1.00 31.41 H new ATOM 0 HB3 ALA A 163 11.914 -8.474 -10.753 1.00 31.41 H new ATOM 738 N TRP A 164 9.790 -6.796 -9.061 1.00 15.21 N ATOM 739 CA TRP A 164 8.931 -6.982 -7.897 1.00 11.34 C ATOM 740 C TRP A 164 9.091 -8.384 -7.321 1.00 32.43 C ATOM 741 O TRP A 164 8.589 -9.358 -7.883 1.00 70.12 O ATOM 742 CB TRP A 164 7.469 -6.734 -8.271 1.00 33.31 C ATOM 743 CG TRP A 164 7.263 -5.480 -9.066 1.00 30.34 C ATOM 744 CD1 TRP A 164 7.191 -5.374 -10.425 1.00 62.23 C ATOM 745 CD2 TRP A 164 7.105 -4.155 -8.549 1.00 14.53 C ATOM 746 NE1 TRP A 164 6.998 -4.062 -10.785 1.00 32.12 N ATOM 747 CE2 TRP A 164 6.940 -3.294 -9.652 1.00 22.20 C ATOM 748 CE3 TRP A 164 7.083 -3.611 -7.262 1.00 4.33 C ATOM 749 CZ2 TRP A 164 6.759 -1.922 -9.505 1.00 11.44 C ATOM 750 CZ3 TRP A 164 6.904 -2.248 -7.117 1.00 73.22 C ATOM 751 CH2 TRP A 164 6.743 -1.416 -8.233 1.00 74.21 C ATOM 0 H TRP A 164 9.306 -6.857 -9.957 1.00 15.21 H new ATOM 0 HA TRP A 164 9.231 -6.261 -7.137 1.00 11.34 H new ATOM 0 HB2 TRP A 164 7.099 -7.584 -8.844 1.00 33.31 H new ATOM 0 HB3 TRP A 164 6.873 -6.680 -7.360 1.00 33.31 H new ATOM 0 HD1 TRP A 164 7.274 -6.200 -11.116 1.00 62.23 H new ATOM 0 HE1 TRP A 164 6.912 -3.716 -11.741 1.00 32.12 H new ATOM 0 HE3 TRP A 164 7.204 -4.244 -6.396 1.00 4.33 H new ATOM 0 HZ2 TRP A 164 6.636 -1.279 -10.364 1.00 11.44 H new ATOM 0 HZ3 TRP A 164 6.888 -1.817 -6.127 1.00 73.22 H new ATOM 0 HH2 TRP A 164 6.604 -0.355 -8.087 1.00 74.21 H new ATOM 762 N CYS A 165 9.792 -8.481 -6.196 1.00 62.44 N ATOM 763 CA CYS A 165 10.019 -9.765 -5.544 1.00 34.30 C ATOM 764 C CYS A 165 10.224 -9.584 -4.043 1.00 35.13 C ATOM 765 O CYS A 165 10.661 -8.533 -3.573 1.00 61.51 O ATOM 766 CB CYS A 165 11.235 -10.464 -6.155 1.00 74.31 C ATOM 767 SG CYS A 165 12.830 -9.708 -5.706 1.00 61.41 S ATOM 0 H CYS A 165 10.213 -7.685 -5.717 1.00 62.44 H new ATOM 0 HA CYS A 165 9.136 -10.384 -5.701 1.00 34.30 H new ATOM 0 HB2 CYS A 165 11.238 -11.507 -5.839 1.00 74.31 H new ATOM 0 HB3 CYS A 165 11.136 -10.460 -7.240 1.00 74.31 H new ATOM 772 N PRO A 166 9.900 -10.632 -3.271 1.00 23.23 N ATOM 773 CA PRO A 166 10.041 -10.614 -1.812 1.00 1.03 C ATOM 774 C PRO A 166 11.501 -10.614 -1.370 1.00 54.11 C ATOM 775 O PRO A 166 12.374 -11.114 -2.079 1.00 21.43 O ATOM 776 CB PRO A 166 9.350 -11.907 -1.372 1.00 74.04 C ATOM 777 CG PRO A 166 9.446 -12.808 -2.555 1.00 34.43 C ATOM 778 CD PRO A 166 9.373 -11.916 -3.763 1.00 20.12 C ATOM 0 HA PRO A 166 9.611 -9.714 -1.373 1.00 1.03 H new ATOM 0 HB2 PRO A 166 9.841 -12.342 -0.502 1.00 74.04 H new ATOM 0 HB3 PRO A 166 8.311 -11.727 -1.095 1.00 74.04 H new ATOM 0 HG2 PRO A 166 10.379 -13.371 -2.542 1.00 34.43 H new ATOM 0 HG3 PRO A 166 8.635 -13.536 -2.558 1.00 34.43 H new ATOM 0 HD2 PRO A 166 9.970 -12.306 -4.587 1.00 20.12 H new ATOM 0 HD3 PRO A 166 8.351 -11.817 -4.129 1.00 20.12 H new ATOM 786 N VAL A 167 11.758 -10.050 -0.194 1.00 45.45 N ATOM 787 CA VAL A 167 13.113 -9.986 0.342 1.00 35.05 C ATOM 788 C VAL A 167 13.339 -11.068 1.393 1.00 54.24 C ATOM 789 O VAL A 167 13.094 -10.856 2.580 1.00 10.51 O ATOM 790 CB VAL A 167 13.404 -8.609 0.969 1.00 71.34 C ATOM 791 CG1 VAL A 167 14.809 -8.573 1.550 1.00 62.44 C ATOM 792 CG2 VAL A 167 13.215 -7.506 -0.061 1.00 45.42 C ATOM 0 H VAL A 167 11.047 -9.631 0.405 1.00 45.45 H new ATOM 0 HA VAL A 167 13.793 -10.147 -0.495 1.00 35.05 H new ATOM 0 HB VAL A 167 12.697 -8.441 1.782 1.00 71.34 H new ATOM 0 HG11 VAL A 167 14.996 -7.593 1.988 1.00 62.44 H new ATOM 0 HG12 VAL A 167 14.904 -9.339 2.320 1.00 62.44 H new ATOM 0 HG13 VAL A 167 15.535 -8.761 0.759 1.00 62.44 H new ATOM 0 HG21 VAL A 167 13.424 -6.540 0.398 1.00 45.42 H new ATOM 0 HG22 VAL A 167 13.897 -7.667 -0.896 1.00 45.42 H new ATOM 0 HG23 VAL A 167 12.188 -7.520 -0.425 1.00 45.42 H new TER 802 VAL A 167