USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 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 69 THR OG1 : rot -163:sc= -3.67! USER MOD Set 1.2: A 73 MET CE :methyl -169:sc= -3.21! (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.021 (180deg=-0.432) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -177:sc= -0.696 USER MOD Single : A 16 THR OG1 : rot -51:sc= 0.108 USER MOD Single : A 17 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.23) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.00562) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -110:sc= -0.581 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -88:sc= 0.634 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.0391 (180deg=-0.606) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -60:sc= -1.2 USER MOD Single : A 63 MET CE :methyl -153:sc= -1.94 (180deg=-2.28) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0.611 (180deg=0.475) USER MOD Single : A 67 SER OG : rot -57:sc= 0.761 USER MOD Single : A 68 ASN : amide:sc= -2.74 K(o=-2.7,f=-9!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -144:sc= 0.152! USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 83 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.9!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 86 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -21.971 2.179 -22.798 1.00 0.00 N ATOM 2 CA VAL A 1 -21.182 1.342 -21.912 1.00 0.00 C ATOM 3 C VAL A 1 -21.506 1.696 -20.459 1.00 0.00 C ATOM 4 O VAL A 1 -21.984 0.851 -19.703 1.00 0.00 O ATOM 5 CB VAL A 1 -19.695 1.484 -22.245 1.00 0.00 C ATOM 6 CG1 VAL A 1 -18.828 0.801 -21.184 1.00 0.00 C ATOM 7 CG2 VAL A 1 -19.390 0.935 -23.639 1.00 0.00 C ATOM 0 H1 VAL A 1 -22.022 1.738 -23.738 1.00 0.00 H new ATOM 0 H2 VAL A 1 -22.931 2.284 -22.412 1.00 0.00 H new ATOM 0 H3 VAL A 1 -21.526 3.115 -22.879 1.00 0.00 H new ATOM 0 HA VAL A 1 -21.435 0.291 -22.054 1.00 0.00 H new ATOM 0 HB VAL A 1 -19.451 2.546 -22.244 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -17.776 0.917 -21.444 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -19.014 1.259 -20.212 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -19.076 -0.259 -21.139 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -18.327 1.048 -23.850 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -19.658 -0.121 -23.681 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -19.968 1.486 -24.381 1.00 0.00 H new ATOM 17 N GLY A 2 -21.235 2.945 -20.113 1.00 0.00 N ATOM 18 CA GLY A 2 -21.491 3.421 -18.764 1.00 0.00 C ATOM 19 C GLY A 2 -21.095 4.891 -18.617 1.00 0.00 C ATOM 20 O GLY A 2 -21.087 5.637 -19.595 1.00 0.00 O ATOM 0 H GLY A 2 -20.840 3.643 -20.744 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.548 3.300 -18.526 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.932 2.817 -18.049 1.00 0.00 H new ATOM 24 N SER A 3 -20.774 5.263 -17.387 1.00 0.00 N ATOM 25 CA SER A 3 -20.376 6.631 -17.098 1.00 0.00 C ATOM 26 C SER A 3 -19.077 6.964 -17.834 1.00 0.00 C ATOM 27 O SER A 3 -18.505 6.111 -18.510 1.00 0.00 O ATOM 28 CB SER A 3 -20.205 6.849 -15.594 1.00 0.00 C ATOM 29 OG SER A 3 -21.242 7.664 -15.051 1.00 0.00 O ATOM 0 H SER A 3 -20.781 4.641 -16.578 1.00 0.00 H new ATOM 0 HA SER A 3 -21.165 7.298 -17.446 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.199 5.884 -15.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.239 7.316 -15.403 1.00 0.00 H new ATOM 0 HG SER A 3 -21.098 7.778 -14.088 1.00 0.00 H new ATOM 35 N GLU A 4 -18.647 8.208 -17.676 1.00 0.00 N ATOM 36 CA GLU A 4 -17.426 8.665 -18.318 1.00 0.00 C ATOM 37 C GLU A 4 -16.235 8.496 -17.371 1.00 0.00 C ATOM 38 O GLU A 4 -16.270 8.966 -16.235 1.00 0.00 O ATOM 39 CB GLU A 4 -17.558 10.118 -18.778 1.00 0.00 C ATOM 40 CG GLU A 4 -17.758 11.055 -17.585 1.00 0.00 C ATOM 41 CD GLU A 4 -18.816 12.117 -17.893 1.00 0.00 C ATOM 42 OE1 GLU A 4 -19.905 11.715 -18.356 1.00 0.00 O ATOM 43 OE2 GLU A 4 -18.512 13.306 -17.658 1.00 0.00 O ATOM 0 H GLU A 4 -19.122 8.913 -17.113 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.253 8.053 -19.203 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.665 10.411 -19.329 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.400 10.211 -19.463 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.061 10.478 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.814 11.539 -17.336 1.00 0.00 H new ATOM 50 N VAL A 5 -15.210 7.825 -17.875 1.00 0.00 N ATOM 51 CA VAL A 5 -14.011 7.589 -17.089 1.00 0.00 C ATOM 52 C VAL A 5 -12.778 7.882 -17.947 1.00 0.00 C ATOM 53 O VAL A 5 -12.188 6.971 -18.525 1.00 0.00 O ATOM 54 CB VAL A 5 -14.024 6.166 -16.529 1.00 0.00 C ATOM 55 CG1 VAL A 5 -12.710 5.846 -15.814 1.00 0.00 C ATOM 56 CG2 VAL A 5 -15.221 5.954 -15.598 1.00 0.00 C ATOM 0 H VAL A 5 -15.185 7.437 -18.818 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.978 8.261 -16.232 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.125 5.477 -17.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.746 4.828 -15.425 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.882 5.937 -16.517 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.565 6.544 -14.990 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -15.207 4.934 -15.213 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.164 6.656 -14.766 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.146 6.120 -16.151 1.00 0.00 H new ATOM 66 N SER A 6 -12.425 9.159 -18.003 1.00 0.00 N ATOM 67 CA SER A 6 -11.274 9.583 -18.780 1.00 0.00 C ATOM 68 C SER A 6 -10.189 10.133 -17.851 1.00 0.00 C ATOM 69 O SER A 6 -9.060 10.366 -18.279 1.00 0.00 O ATOM 70 CB SER A 6 -11.668 10.636 -19.818 1.00 0.00 C ATOM 71 OG SER A 6 -11.202 10.299 -21.122 1.00 0.00 O ATOM 0 H SER A 6 -12.917 9.913 -17.523 1.00 0.00 H new ATOM 0 HA SER A 6 -10.882 8.716 -19.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.753 10.740 -19.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.260 11.604 -19.526 1.00 0.00 H new ATOM 0 HG SER A 6 -11.475 10.994 -21.757 1.00 0.00 H new ATOM 77 N ASP A 7 -10.571 10.325 -16.597 1.00 0.00 N ATOM 78 CA ASP A 7 -9.646 10.844 -15.604 1.00 0.00 C ATOM 79 C ASP A 7 -9.576 9.875 -14.422 1.00 0.00 C ATOM 80 O ASP A 7 -8.493 9.584 -13.918 1.00 0.00 O ATOM 81 CB ASP A 7 -10.110 12.203 -15.074 1.00 0.00 C ATOM 82 CG ASP A 7 -9.848 13.385 -16.008 1.00 0.00 C ATOM 83 OD1 ASP A 7 -9.276 13.137 -17.092 1.00 0.00 O ATOM 84 OD2 ASP A 7 -10.226 14.511 -15.618 1.00 0.00 O ATOM 0 H ASP A 7 -11.509 10.130 -16.246 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.671 10.956 -16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.179 12.151 -14.870 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.613 12.394 -14.123 1.00 0.00 H new ATOM 89 N LYS A 8 -10.745 9.401 -14.017 1.00 0.00 N ATOM 90 CA LYS A 8 -10.830 8.470 -12.904 1.00 0.00 C ATOM 91 C LYS A 8 -9.969 8.985 -11.748 1.00 0.00 C ATOM 92 O LYS A 8 -9.600 10.158 -11.718 1.00 0.00 O ATOM 93 CB LYS A 8 -10.467 7.056 -13.360 1.00 0.00 C ATOM 94 CG LYS A 8 -8.953 6.907 -13.530 1.00 0.00 C ATOM 95 CD LYS A 8 -8.558 5.433 -13.653 1.00 0.00 C ATOM 96 CE LYS A 8 -8.321 5.050 -15.115 1.00 0.00 C ATOM 97 NZ LYS A 8 -6.981 5.498 -15.558 1.00 0.00 N ATOM 0 H LYS A 8 -11.641 9.644 -14.439 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.854 8.407 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.828 6.331 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.966 6.835 -14.303 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.628 7.450 -14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.442 7.354 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.654 5.245 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.344 4.806 -13.232 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.407 3.970 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.088 5.501 -15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.837 5.230 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.912 6.531 -15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.252 5.048 -14.969 1.00 0.00 H new ATOM 111 N ARG A 9 -9.675 8.081 -10.825 1.00 0.00 N ATOM 112 CA ARG A 9 -8.864 8.428 -9.669 1.00 0.00 C ATOM 113 C ARG A 9 -7.675 7.473 -9.549 1.00 0.00 C ATOM 114 O ARG A 9 -6.530 7.875 -9.750 1.00 0.00 O ATOM 115 CB ARG A 9 -9.688 8.370 -8.381 1.00 0.00 C ATOM 116 CG ARG A 9 -9.102 9.296 -7.314 1.00 0.00 C ATOM 117 CD ARG A 9 -9.834 10.640 -7.291 1.00 0.00 C ATOM 118 NE ARG A 9 -9.144 11.578 -6.378 1.00 0.00 N ATOM 119 CZ ARG A 9 -8.076 12.310 -6.720 1.00 0.00 C ATOM 120 NH1 ARG A 9 -7.570 12.220 -7.957 1.00 0.00 N ATOM 121 NH2 ARG A 9 -7.514 13.135 -5.826 1.00 0.00 N ATOM 0 H ARG A 9 -9.983 7.109 -10.854 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.503 9.447 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.718 8.657 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.712 7.347 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.175 8.821 -6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.042 9.458 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.872 11.060 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.865 10.496 -6.967 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.504 11.673 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.998 11.594 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.757 12.778 -8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.900 13.206 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.701 13.692 -6.087 1.00 0.00 H new ATOM 135 N THR A 10 -7.988 6.228 -9.223 1.00 0.00 N ATOM 136 CA THR A 10 -6.959 5.212 -9.073 1.00 0.00 C ATOM 137 C THR A 10 -7.314 3.969 -9.890 1.00 0.00 C ATOM 138 O THR A 10 -6.453 3.384 -10.545 1.00 0.00 O ATOM 139 CB THR A 10 -6.787 4.929 -7.580 1.00 0.00 C ATOM 140 OG1 THR A 10 -6.070 6.061 -7.092 1.00 0.00 O ATOM 141 CG2 THR A 10 -5.849 3.751 -7.311 1.00 0.00 C ATOM 0 H THR A 10 -8.939 5.899 -9.058 1.00 0.00 H new ATOM 0 HA THR A 10 -6.002 5.558 -9.465 1.00 0.00 H new ATOM 0 HB THR A 10 -7.761 4.726 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.917 5.961 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.762 3.593 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.251 2.852 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.865 3.967 -7.727 1.00 0.00 H new ATOM 149 N CYS A 11 -8.586 3.601 -9.826 1.00 0.00 N ATOM 150 CA CYS A 11 -9.066 2.437 -10.552 1.00 0.00 C ATOM 151 C CYS A 11 -10.398 2.799 -11.211 1.00 0.00 C ATOM 152 O CYS A 11 -10.766 3.971 -11.274 1.00 0.00 O ATOM 153 CB CYS A 11 -9.194 1.215 -9.639 1.00 0.00 C ATOM 154 SG CYS A 11 -10.686 1.200 -8.581 1.00 0.00 S ATOM 0 H CYS A 11 -9.298 4.088 -9.283 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.344 2.160 -11.321 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.194 0.317 -10.256 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.312 1.162 -9.000 1.00 0.00 H new ATOM 159 N VAL A 12 -11.085 1.770 -11.686 1.00 0.00 N ATOM 160 CA VAL A 12 -12.369 1.964 -12.339 1.00 0.00 C ATOM 161 C VAL A 12 -13.492 1.631 -11.356 1.00 0.00 C ATOM 162 O VAL A 12 -14.134 2.529 -10.813 1.00 0.00 O ATOM 163 CB VAL A 12 -12.433 1.136 -13.624 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.816 1.234 -14.270 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.339 1.558 -14.605 1.00 0.00 C ATOM 0 H VAL A 12 -10.777 0.799 -11.632 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.494 3.006 -12.633 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.259 0.093 -13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.835 0.637 -15.182 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.569 0.861 -13.576 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.031 2.274 -14.514 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.408 0.953 -15.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.466 2.610 -14.861 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.362 1.412 -14.145 1.00 0.00 H new ATOM 175 N SER A 13 -13.696 0.338 -11.155 1.00 0.00 N ATOM 176 CA SER A 13 -14.731 -0.125 -10.247 1.00 0.00 C ATOM 177 C SER A 13 -14.094 -0.798 -9.028 1.00 0.00 C ATOM 178 O SER A 13 -12.902 -0.634 -8.776 1.00 0.00 O ATOM 179 CB SER A 13 -15.686 -1.092 -10.947 1.00 0.00 C ATOM 180 OG SER A 13 -17.039 -0.889 -10.547 1.00 0.00 O ATOM 0 H SER A 13 -13.161 -0.404 -11.606 1.00 0.00 H new ATOM 0 HA SER A 13 -15.309 0.739 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.604 -0.965 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.392 -2.118 -10.724 1.00 0.00 H new ATOM 0 HG SER A 13 -17.618 -1.525 -11.017 1.00 0.00 H new ATOM 186 N LEU A 14 -14.918 -1.539 -8.304 1.00 0.00 N ATOM 187 CA LEU A 14 -14.452 -2.237 -7.118 1.00 0.00 C ATOM 188 C LEU A 14 -14.414 -3.741 -7.397 1.00 0.00 C ATOM 189 O LEU A 14 -15.454 -4.397 -7.425 1.00 0.00 O ATOM 190 CB LEU A 14 -15.303 -1.858 -5.903 1.00 0.00 C ATOM 191 CG LEU A 14 -14.729 -0.768 -4.997 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.749 -0.344 -3.938 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.405 -1.215 -4.371 1.00 0.00 C ATOM 0 H LEU A 14 -15.907 -1.672 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.434 -1.932 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.281 -1.531 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.464 -2.754 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.516 0.108 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.317 0.432 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.643 0.043 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.015 -1.205 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.019 -0.421 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.569 -2.113 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.684 -1.429 -5.160 1.00 0.00 H new ATOM 205 N THR A 15 -13.204 -4.243 -7.598 1.00 0.00 N ATOM 206 CA THR A 15 -13.017 -5.657 -7.875 1.00 0.00 C ATOM 207 C THR A 15 -13.560 -6.005 -9.262 1.00 0.00 C ATOM 208 O THR A 15 -13.113 -5.450 -10.265 1.00 0.00 O ATOM 209 CB THR A 15 -13.679 -6.450 -6.747 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.195 -5.833 -5.557 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.158 -7.887 -6.658 1.00 0.00 C ATOM 0 H THR A 15 -12.344 -3.696 -7.574 1.00 0.00 H new ATOM 0 HA THR A 15 -11.959 -5.919 -7.900 1.00 0.00 H new ATOM 0 HB THR A 15 -14.758 -6.462 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.538 -6.315 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.660 -8.406 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.359 -8.406 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.084 -7.874 -6.473 1.00 0.00 H new ATOM 219 N THR A 16 -14.515 -6.923 -9.275 1.00 0.00 N ATOM 220 CA THR A 16 -15.124 -7.352 -10.523 1.00 0.00 C ATOM 221 C THR A 16 -14.078 -8.005 -11.430 1.00 0.00 C ATOM 222 O THR A 16 -14.235 -8.025 -12.649 1.00 0.00 O ATOM 223 CB THR A 16 -15.806 -6.138 -11.159 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.785 -6.704 -12.025 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.876 -5.369 -12.098 1.00 0.00 C ATOM 0 H THR A 16 -14.882 -7.382 -8.441 1.00 0.00 H new ATOM 0 HA THR A 16 -15.882 -8.116 -10.351 1.00 0.00 H new ATOM 0 HB THR A 16 -16.162 -5.470 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.364 -7.377 -12.599 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.409 -4.518 -12.522 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.009 -5.013 -11.541 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.545 -6.027 -12.902 1.00 0.00 H new ATOM 233 N GLN A 17 -13.035 -8.523 -10.798 1.00 0.00 N ATOM 234 CA GLN A 17 -11.964 -9.175 -11.532 1.00 0.00 C ATOM 235 C GLN A 17 -10.942 -9.771 -10.562 1.00 0.00 C ATOM 236 O GLN A 17 -10.152 -9.043 -9.964 1.00 0.00 O ATOM 237 CB GLN A 17 -11.295 -8.202 -12.505 1.00 0.00 C ATOM 238 CG GLN A 17 -10.712 -8.944 -13.710 1.00 0.00 C ATOM 239 CD GLN A 17 -10.325 -7.967 -14.821 1.00 0.00 C ATOM 240 OE1 GLN A 17 -11.094 -7.109 -15.224 1.00 0.00 O ATOM 241 NE2 GLN A 17 -9.095 -8.144 -15.294 1.00 0.00 N ATOM 0 H GLN A 17 -12.909 -8.504 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.394 -9.986 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.022 -7.465 -12.845 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.503 -7.656 -11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.836 -9.514 -13.401 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.442 -9.660 -14.088 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.503 -8.881 -14.912 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.744 -7.542 -16.039 1.00 0.00 H new ATOM 250 N ARG A 18 -10.992 -11.088 -10.437 1.00 0.00 N ATOM 251 CA ARG A 18 -10.080 -11.791 -9.550 1.00 0.00 C ATOM 252 C ARG A 18 -8.725 -11.990 -10.231 1.00 0.00 C ATOM 253 O ARG A 18 -8.456 -13.055 -10.785 1.00 0.00 O ATOM 254 CB ARG A 18 -10.645 -13.154 -9.144 1.00 0.00 C ATOM 255 CG ARG A 18 -10.629 -13.324 -7.624 1.00 0.00 C ATOM 256 CD ARG A 18 -10.296 -14.767 -7.238 1.00 0.00 C ATOM 257 NE ARG A 18 -11.543 -15.546 -7.070 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.614 -16.881 -7.168 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.511 -17.593 -7.435 1.00 0.00 N ATOM 260 NH2 ARG A 18 -12.789 -17.504 -7.001 1.00 0.00 N ATOM 0 H ARG A 18 -11.650 -11.688 -10.935 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.955 -11.182 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.666 -13.253 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.059 -13.947 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.895 -12.648 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.600 -13.049 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.673 -15.223 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.721 -14.781 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.402 -15.035 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.617 -17.119 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.565 -18.609 -7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.629 -16.962 -6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.843 -18.520 -7.076 1.00 0.00 H new ATOM 274 N LEU A 19 -7.907 -10.950 -10.168 1.00 0.00 N ATOM 275 CA LEU A 19 -6.587 -10.998 -10.773 1.00 0.00 C ATOM 276 C LEU A 19 -5.698 -11.948 -9.968 1.00 0.00 C ATOM 277 O LEU A 19 -5.800 -12.014 -8.745 1.00 0.00 O ATOM 278 CB LEU A 19 -6.011 -9.587 -10.914 1.00 0.00 C ATOM 279 CG LEU A 19 -6.081 -8.972 -12.312 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.389 -8.204 -12.509 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.855 -8.097 -12.588 1.00 0.00 C ATOM 0 H LEU A 19 -8.133 -10.069 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.645 -11.396 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.538 -8.930 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.967 -9.609 -10.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.070 -9.781 -13.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.413 -7.777 -13.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.232 -8.883 -12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.456 -7.404 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.929 -7.672 -13.589 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.810 -7.292 -11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.952 -8.703 -12.518 1.00 0.00 H new ATOM 293 N PRO A 20 -4.820 -12.678 -10.708 1.00 0.00 N ATOM 294 CA PRO A 20 -3.912 -13.621 -10.077 1.00 0.00 C ATOM 295 C PRO A 20 -2.766 -12.892 -9.374 1.00 0.00 C ATOM 296 O PRO A 20 -2.135 -12.011 -9.956 1.00 0.00 O ATOM 297 CB PRO A 20 -3.439 -14.525 -11.203 1.00 0.00 C ATOM 298 CG PRO A 20 -3.731 -13.773 -12.491 1.00 0.00 C ATOM 299 CD PRO A 20 -4.669 -12.624 -12.159 1.00 0.00 C ATOM 0 HA PRO A 20 -4.391 -14.204 -9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.375 -14.741 -11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.962 -15.481 -11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.807 -13.397 -12.931 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.186 -14.437 -13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.254 -11.668 -12.479 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.629 -12.738 -12.662 1.00 0.00 H new ATOM 307 N VAL A 21 -2.531 -13.286 -8.131 1.00 0.00 N ATOM 308 CA VAL A 21 -1.472 -12.682 -7.341 1.00 0.00 C ATOM 309 C VAL A 21 -0.167 -12.710 -8.140 1.00 0.00 C ATOM 310 O VAL A 21 0.632 -11.778 -8.066 1.00 0.00 O ATOM 311 CB VAL A 21 -1.360 -13.385 -5.987 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.302 -14.490 -6.030 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.061 -12.383 -4.871 1.00 0.00 C ATOM 0 H VAL A 21 -3.057 -14.017 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.702 -11.638 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.322 -13.849 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.242 -14.974 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.576 -15.227 -6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.666 -14.057 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.987 -12.910 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.119 -11.876 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.864 -11.648 -4.817 1.00 0.00 H new ATOM 323 N SER A 22 0.010 -13.792 -8.885 1.00 0.00 N ATOM 324 CA SER A 22 1.204 -13.955 -9.696 1.00 0.00 C ATOM 325 C SER A 22 1.348 -12.773 -10.658 1.00 0.00 C ATOM 326 O SER A 22 2.454 -12.457 -11.097 1.00 0.00 O ATOM 327 CB SER A 22 1.166 -15.272 -10.475 1.00 0.00 C ATOM 328 OG SER A 22 1.893 -15.190 -11.698 1.00 0.00 O ATOM 0 H SER A 22 -0.654 -14.564 -8.944 1.00 0.00 H new ATOM 0 HA SER A 22 2.068 -13.982 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.581 -16.070 -9.859 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.130 -15.539 -10.686 1.00 0.00 H new ATOM 0 HG SER A 22 1.846 -16.050 -12.165 1.00 0.00 H new ATOM 334 N ARG A 23 0.217 -12.152 -10.957 1.00 0.00 N ATOM 335 CA ARG A 23 0.203 -11.013 -11.859 1.00 0.00 C ATOM 336 C ARG A 23 0.319 -9.709 -11.068 1.00 0.00 C ATOM 337 O ARG A 23 0.638 -8.664 -11.631 1.00 0.00 O ATOM 338 CB ARG A 23 -1.080 -10.985 -12.691 1.00 0.00 C ATOM 339 CG ARG A 23 -0.765 -11.067 -14.186 1.00 0.00 C ATOM 340 CD ARG A 23 -0.670 -12.523 -14.647 1.00 0.00 C ATOM 341 NE ARG A 23 -1.435 -12.708 -15.900 1.00 0.00 N ATOM 342 CZ ARG A 23 -1.863 -13.896 -16.350 1.00 0.00 C ATOM 343 NH1 ARG A 23 -1.604 -15.011 -15.651 1.00 0.00 N ATOM 344 NH2 ARG A 23 -2.551 -13.970 -17.497 1.00 0.00 N ATOM 0 H ARG A 23 -0.697 -12.416 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 23 1.056 -11.111 -12.531 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.722 -11.818 -12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.634 -10.070 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.540 -10.552 -14.753 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.175 -10.554 -14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.373 -12.796 -14.805 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.059 -13.184 -13.873 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.650 -11.880 -16.456 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.081 -14.955 -14.777 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.930 -15.915 -15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.749 -13.122 -18.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.876 -14.874 -17.839 1.00 0.00 H new ATOM 358 N ILE A 24 0.054 -9.814 -9.774 1.00 0.00 N ATOM 359 CA ILE A 24 0.124 -8.655 -8.899 1.00 0.00 C ATOM 360 C ILE A 24 1.522 -8.571 -8.282 1.00 0.00 C ATOM 361 O ILE A 24 2.198 -9.587 -8.127 1.00 0.00 O ATOM 362 CB ILE A 24 -1.003 -8.696 -7.865 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.362 -8.877 -8.542 1.00 0.00 C ATOM 364 CG2 ILE A 24 -0.969 -7.455 -6.969 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.256 -9.821 -7.735 1.00 0.00 C ATOM 0 H ILE A 24 -0.209 -10.683 -9.310 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.030 -7.738 -9.468 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.846 -9.562 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.851 -7.909 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.221 -9.274 -9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.780 -7.508 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.015 -7.411 -6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.088 -6.561 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.216 -9.932 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.775 -10.796 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.415 -9.409 -6.739 1.00 0.00 H new ATOM 377 N LYS A 25 1.913 -7.351 -7.947 1.00 0.00 N ATOM 378 CA LYS A 25 3.219 -7.121 -7.351 1.00 0.00 C ATOM 379 C LYS A 25 3.038 -6.622 -5.916 1.00 0.00 C ATOM 380 O LYS A 25 3.305 -7.353 -4.963 1.00 0.00 O ATOM 381 CB LYS A 25 4.050 -6.183 -8.228 1.00 0.00 C ATOM 382 CG LYS A 25 5.522 -6.601 -8.236 1.00 0.00 C ATOM 383 CD LYS A 25 6.165 -6.372 -6.867 1.00 0.00 C ATOM 384 CE LYS A 25 7.118 -5.176 -6.901 1.00 0.00 C ATOM 385 NZ LYS A 25 8.525 -5.636 -6.929 1.00 0.00 N ATOM 0 H LYS A 25 1.349 -6.511 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 25 3.783 -8.052 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.660 -6.191 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.960 -5.161 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.603 -7.653 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.061 -6.033 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.389 -6.202 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.709 -7.266 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.912 -4.564 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.952 -4.546 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.116 -4.918 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.862 -5.783 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.587 -6.531 -7.456 1.00 0.00 H new ATOM 399 N THR A 26 2.586 -5.382 -5.807 1.00 0.00 N ATOM 400 CA THR A 26 2.366 -4.777 -4.504 1.00 0.00 C ATOM 401 C THR A 26 0.895 -4.395 -4.335 1.00 0.00 C ATOM 402 O THR A 26 0.136 -4.384 -5.303 1.00 0.00 O ATOM 403 CB THR A 26 3.321 -3.589 -4.367 1.00 0.00 C ATOM 404 OG1 THR A 26 3.238 -3.233 -2.989 1.00 0.00 O ATOM 405 CG2 THR A 26 2.820 -2.346 -5.104 1.00 0.00 C ATOM 0 H THR A 26 2.366 -4.779 -6.600 1.00 0.00 H new ATOM 0 HA THR A 26 2.581 -5.481 -3.700 1.00 0.00 H new ATOM 0 HB THR A 26 4.302 -3.867 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.828 -2.471 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.535 -1.533 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.714 -2.570 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.853 -2.047 -4.698 1.00 0.00 H new ATOM 413 N TYR A 27 0.534 -4.090 -3.097 1.00 0.00 N ATOM 414 CA TYR A 27 -0.833 -3.709 -2.787 1.00 0.00 C ATOM 415 C TYR A 27 -0.870 -2.631 -1.702 1.00 0.00 C ATOM 416 O TYR A 27 0.019 -2.569 -0.853 1.00 0.00 O ATOM 417 CB TYR A 27 -1.514 -4.972 -2.258 1.00 0.00 C ATOM 418 CG TYR A 27 -0.808 -5.604 -1.057 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.397 -6.255 -1.229 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.374 -5.522 0.199 1.00 0.00 C ATOM 421 CE1 TYR A 27 1.063 -6.849 -0.099 1.00 0.00 C ATOM 422 CE2 TYR A 27 -0.708 -6.116 1.329 1.00 0.00 C ATOM 423 CZ TYR A 27 0.478 -6.750 1.125 1.00 0.00 C ATOM 424 OH TYR A 27 1.106 -7.312 2.192 1.00 0.00 O ATOM 0 H TYR A 27 1.166 -4.099 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.328 -3.306 -3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.539 -4.729 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.569 -5.706 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.840 -6.319 -2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.316 -5.012 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.006 -7.362 -0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.141 -6.059 2.317 1.00 0.00 H new ATOM 0 HH TYR A 27 0.574 -7.162 3.001 1.00 0.00 H new ATOM 434 N THR A 28 -1.906 -1.808 -1.764 1.00 0.00 N ATOM 435 CA THR A 28 -2.071 -0.736 -0.796 1.00 0.00 C ATOM 436 C THR A 28 -3.509 -0.703 -0.276 1.00 0.00 C ATOM 437 O THR A 28 -4.449 -0.533 -1.050 1.00 0.00 O ATOM 438 CB THR A 28 -1.635 0.570 -1.461 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.368 0.853 -0.874 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.510 1.757 -1.049 1.00 0.00 C ATOM 0 H THR A 28 -2.640 -1.862 -2.470 1.00 0.00 H new ATOM 0 HA THR A 28 -1.446 -0.896 0.082 1.00 0.00 H new ATOM 0 HB THR A 28 -1.667 0.454 -2.544 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.011 1.685 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.158 2.659 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.544 1.563 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.452 1.894 0.031 1.00 0.00 H new ATOM 448 N ILE A 29 -3.634 -0.869 1.033 1.00 0.00 N ATOM 449 CA ILE A 29 -4.942 -0.860 1.666 1.00 0.00 C ATOM 450 C ILE A 29 -5.125 0.452 2.430 1.00 0.00 C ATOM 451 O ILE A 29 -4.208 0.914 3.107 1.00 0.00 O ATOM 452 CB ILE A 29 -5.126 -2.107 2.533 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.336 -3.290 1.968 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.609 -2.440 2.709 1.00 0.00 C ATOM 455 CD1 ILE A 29 -4.762 -3.597 0.531 1.00 0.00 C ATOM 0 H ILE A 29 -2.852 -1.010 1.672 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.730 -0.904 0.914 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.724 -1.895 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.270 -3.066 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.493 -4.169 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.711 -3.331 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.115 -1.603 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.059 -2.624 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.186 -4.441 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.823 -3.844 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.581 -2.724 -0.096 1.00 0.00 H new ATOM 467 N THR A 30 -6.316 1.017 2.296 1.00 0.00 N ATOM 468 CA THR A 30 -6.631 2.267 2.965 1.00 0.00 C ATOM 469 C THR A 30 -7.771 2.065 3.966 1.00 0.00 C ATOM 470 O THR A 30 -8.508 1.084 3.881 1.00 0.00 O ATOM 471 CB THR A 30 -6.944 3.313 1.892 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.047 2.758 1.179 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.838 3.422 0.842 1.00 0.00 C ATOM 0 H THR A 30 -7.075 0.631 1.734 1.00 0.00 H new ATOM 0 HA THR A 30 -5.785 2.624 3.551 1.00 0.00 H new ATOM 0 HB THR A 30 -7.094 4.284 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.756 2.492 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.110 4.177 0.105 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.904 3.707 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.711 2.460 0.346 1.00 0.00 H new ATOM 481 N GLU A 31 -7.879 3.008 4.890 1.00 0.00 N ATOM 482 CA GLU A 31 -8.916 2.945 5.906 1.00 0.00 C ATOM 483 C GLU A 31 -9.797 4.194 5.844 1.00 0.00 C ATOM 484 O GLU A 31 -10.921 4.192 6.345 1.00 0.00 O ATOM 485 CB GLU A 31 -8.309 2.772 7.300 1.00 0.00 C ATOM 486 CG GLU A 31 -8.683 1.414 7.897 1.00 0.00 C ATOM 487 CD GLU A 31 -7.579 0.383 7.649 1.00 0.00 C ATOM 488 OE1 GLU A 31 -6.475 0.591 8.195 1.00 0.00 O ATOM 489 OE2 GLU A 31 -7.866 -0.590 6.919 1.00 0.00 O ATOM 0 H GLU A 31 -7.265 3.820 4.957 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.540 2.074 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.224 2.861 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.660 3.570 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.854 1.518 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.617 1.064 7.458 1.00 0.00 H new ATOM 496 N GLY A 32 -9.254 5.231 5.223 1.00 0.00 N ATOM 497 CA GLY A 32 -9.978 6.485 5.088 1.00 0.00 C ATOM 498 C GLY A 32 -11.172 6.330 4.144 1.00 0.00 C ATOM 499 O GLY A 32 -11.542 5.213 3.783 1.00 0.00 O ATOM 0 H GLY A 32 -8.322 5.229 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.324 6.816 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.308 7.257 4.709 1.00 0.00 H new ATOM 503 N SER A 33 -11.742 7.466 3.772 1.00 0.00 N ATOM 504 CA SER A 33 -12.888 7.470 2.878 1.00 0.00 C ATOM 505 C SER A 33 -12.713 6.400 1.799 1.00 0.00 C ATOM 506 O SER A 33 -13.693 5.832 1.319 1.00 0.00 O ATOM 507 CB SER A 33 -13.078 8.846 2.235 1.00 0.00 C ATOM 508 OG SER A 33 -13.756 9.752 3.101 1.00 0.00 O ATOM 0 H SER A 33 -11.432 8.390 4.073 1.00 0.00 H new ATOM 0 HA SER A 33 -13.780 7.245 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.105 9.259 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.643 8.738 1.309 1.00 0.00 H new ATOM 0 HG SER A 33 -13.856 10.619 2.654 1.00 0.00 H new ATOM 514 N LEU A 34 -11.459 6.156 1.449 1.00 0.00 N ATOM 515 CA LEU A 34 -11.144 5.163 0.436 1.00 0.00 C ATOM 516 C LEU A 34 -11.531 3.776 0.950 1.00 0.00 C ATOM 517 O LEU A 34 -12.292 3.059 0.301 1.00 0.00 O ATOM 518 CB LEU A 34 -9.677 5.275 0.015 1.00 0.00 C ATOM 519 CG LEU A 34 -9.425 5.760 -1.415 1.00 0.00 C ATOM 520 CD1 LEU A 34 -7.938 6.028 -1.648 1.00 0.00 C ATOM 521 CD2 LEU A 34 -9.998 4.776 -2.436 1.00 0.00 C ATOM 0 H LEU A 34 -10.649 6.629 1.849 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.726 5.342 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.173 5.955 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.210 4.297 0.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.948 6.707 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.786 6.371 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.593 6.794 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.373 5.110 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.806 5.144 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.524 3.803 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.073 4.679 -2.284 1.00 0.00 H new ATOM 533 N ARG A 35 -10.991 3.437 2.112 1.00 0.00 N ATOM 534 CA ARG A 35 -11.272 2.148 2.721 1.00 0.00 C ATOM 535 C ARG A 35 -11.388 1.066 1.645 1.00 0.00 C ATOM 536 O ARG A 35 -12.334 0.280 1.651 1.00 0.00 O ATOM 537 CB ARG A 35 -12.567 2.192 3.532 1.00 0.00 C ATOM 538 CG ARG A 35 -12.381 1.529 4.899 1.00 0.00 C ATOM 539 CD ARG A 35 -11.959 0.066 4.745 1.00 0.00 C ATOM 540 NE ARG A 35 -13.055 -0.825 5.185 1.00 0.00 N ATOM 541 CZ ARG A 35 -14.050 -1.242 4.389 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.093 -0.849 3.110 1.00 0.00 N ATOM 543 NH2 ARG A 35 -15.001 -2.051 4.875 1.00 0.00 N ATOM 0 H ARG A 35 -10.360 4.033 2.648 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.446 1.911 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.882 3.227 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.361 1.686 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.627 2.071 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.311 1.586 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.706 -0.141 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.063 -0.127 5.335 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.054 -1.142 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.369 -0.232 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.850 -1.166 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.968 -2.349 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.758 -2.369 4.270 1.00 0.00 H new ATOM 557 N ALA A 36 -10.414 1.063 0.746 1.00 0.00 N ATOM 558 CA ALA A 36 -10.396 0.092 -0.334 1.00 0.00 C ATOM 559 C ALA A 36 -8.975 -0.453 -0.501 1.00 0.00 C ATOM 560 O ALA A 36 -8.008 0.196 -0.106 1.00 0.00 O ATOM 561 CB ALA A 36 -10.925 0.742 -1.614 1.00 0.00 C ATOM 0 H ALA A 36 -9.632 1.718 0.744 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.047 -0.751 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.911 0.013 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.947 1.086 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.294 1.591 -1.879 1.00 0.00 H new ATOM 567 N VAL A 37 -8.895 -1.638 -1.086 1.00 0.00 N ATOM 568 CA VAL A 37 -7.610 -2.278 -1.310 1.00 0.00 C ATOM 569 C VAL A 37 -7.136 -1.976 -2.733 1.00 0.00 C ATOM 570 O VAL A 37 -7.900 -2.115 -3.688 1.00 0.00 O ATOM 571 CB VAL A 37 -7.713 -3.776 -1.019 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.179 -4.025 0.417 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.638 -4.467 -2.023 1.00 0.00 C ATOM 0 H VAL A 37 -9.700 -2.173 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.861 -1.879 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.718 -4.208 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.244 -5.098 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.466 -3.582 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.159 -3.572 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.694 -5.531 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.634 -4.030 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.246 -4.333 -3.031 1.00 0.00 H new ATOM 583 N ILE A 38 -5.879 -1.569 -2.830 1.00 0.00 N ATOM 584 CA ILE A 38 -5.295 -1.246 -4.120 1.00 0.00 C ATOM 585 C ILE A 38 -4.236 -2.293 -4.471 1.00 0.00 C ATOM 586 O ILE A 38 -3.266 -2.472 -3.736 1.00 0.00 O ATOM 587 CB ILE A 38 -4.765 0.189 -4.125 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.892 1.190 -3.863 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.019 0.494 -5.426 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.831 1.288 -5.067 1.00 0.00 C ATOM 0 H ILE A 38 -5.249 -1.456 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.054 -1.283 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.047 0.291 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.456 0.885 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.469 2.171 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.653 1.520 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.177 -0.190 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.696 0.369 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.623 2.006 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.269 1.617 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.272 0.311 -5.265 1.00 0.00 H new ATOM 602 N PHE A 39 -4.457 -2.958 -5.597 1.00 0.00 N ATOM 603 CA PHE A 39 -3.533 -3.982 -6.054 1.00 0.00 C ATOM 604 C PHE A 39 -2.710 -3.486 -7.245 1.00 0.00 C ATOM 605 O PHE A 39 -3.260 -3.193 -8.306 1.00 0.00 O ATOM 606 CB PHE A 39 -4.377 -5.179 -6.497 1.00 0.00 C ATOM 607 CG PHE A 39 -5.003 -5.961 -5.341 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.249 -6.299 -4.262 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.315 -6.316 -5.392 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.830 -7.025 -3.188 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.896 -7.042 -4.318 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.142 -7.380 -3.240 1.00 0.00 C ATOM 0 H PHE A 39 -5.262 -2.807 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.842 -4.244 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.171 -4.827 -7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.753 -5.854 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.208 -6.016 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.915 -6.046 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.231 -7.295 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.937 -7.325 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.585 -7.931 -2.423 1.00 0.00 H new ATOM 622 N ILE A 40 -1.406 -3.406 -7.028 1.00 0.00 N ATOM 623 CA ILE A 40 -0.500 -2.950 -8.069 1.00 0.00 C ATOM 624 C ILE A 40 0.185 -4.159 -8.709 1.00 0.00 C ATOM 625 O ILE A 40 0.735 -5.009 -8.009 1.00 0.00 O ATOM 626 CB ILE A 40 0.477 -1.912 -7.513 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.239 -0.923 -6.592 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.226 -1.204 -8.645 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.725 0.151 -6.086 1.00 0.00 C ATOM 0 H ILE A 40 -0.954 -3.649 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.053 -2.442 -8.859 1.00 0.00 H new ATOM 0 HB ILE A 40 1.221 -2.431 -6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.064 -0.453 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.672 -1.456 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.914 -0.471 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.787 -1.937 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.511 -0.699 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.191 0.841 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.535 -0.320 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.137 0.699 -6.934 1.00 0.00 H new ATOM 641 N THR A 41 0.130 -4.199 -10.032 1.00 0.00 N ATOM 642 CA THR A 41 0.739 -5.291 -10.775 1.00 0.00 C ATOM 643 C THR A 41 2.107 -4.871 -11.314 1.00 0.00 C ATOM 644 O THR A 41 2.429 -3.684 -11.342 1.00 0.00 O ATOM 645 CB THR A 41 -0.240 -5.722 -11.868 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.853 -4.505 -12.286 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.402 -6.554 -11.320 1.00 0.00 C ATOM 0 H THR A 41 -0.327 -3.493 -10.609 1.00 0.00 H new ATOM 0 HA THR A 41 0.929 -6.150 -10.132 1.00 0.00 H new ATOM 0 HB THR A 41 0.293 -6.297 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.640 -4.327 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.067 -6.833 -12.137 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.013 -7.454 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.955 -5.967 -10.587 1.00 0.00 H new ATOM 655 N LYS A 42 2.874 -5.867 -11.731 1.00 0.00 N ATOM 656 CA LYS A 42 4.200 -5.616 -12.268 1.00 0.00 C ATOM 657 C LYS A 42 4.079 -4.777 -13.541 1.00 0.00 C ATOM 658 O LYS A 42 5.057 -4.184 -13.995 1.00 0.00 O ATOM 659 CB LYS A 42 4.955 -6.931 -12.468 1.00 0.00 C ATOM 660 CG LYS A 42 4.151 -7.898 -13.339 1.00 0.00 C ATOM 661 CD LYS A 42 4.216 -9.322 -12.781 1.00 0.00 C ATOM 662 CE LYS A 42 3.662 -9.379 -11.357 1.00 0.00 C ATOM 663 NZ LYS A 42 4.584 -10.122 -10.470 1.00 0.00 N ATOM 0 H LYS A 42 2.602 -6.850 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 42 4.795 -5.039 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.920 -6.733 -12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.156 -7.390 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.113 -7.570 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.539 -7.885 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.647 -9.994 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.248 -9.672 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.518 -8.368 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.684 -9.861 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.446 -9.811 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.389 -11.141 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.566 -9.937 -10.757 1.00 0.00 H new ATOM 677 N ARG A 43 2.870 -4.753 -14.084 1.00 0.00 N ATOM 678 CA ARG A 43 2.608 -3.996 -15.296 1.00 0.00 C ATOM 679 C ARG A 43 2.404 -2.516 -14.964 1.00 0.00 C ATOM 680 O ARG A 43 2.502 -1.661 -15.842 1.00 0.00 O ATOM 681 CB ARG A 43 1.369 -4.526 -16.019 1.00 0.00 C ATOM 682 CG ARG A 43 1.749 -5.194 -17.342 1.00 0.00 C ATOM 683 CD ARG A 43 1.327 -6.665 -17.355 1.00 0.00 C ATOM 684 NE ARG A 43 0.559 -6.960 -18.585 1.00 0.00 N ATOM 685 CZ ARG A 43 0.351 -8.195 -19.062 1.00 0.00 C ATOM 686 NH1 ARG A 43 0.852 -9.257 -18.415 1.00 0.00 N ATOM 687 NH2 ARG A 43 -0.358 -8.369 -20.186 1.00 0.00 N ATOM 0 H ARG A 43 2.061 -5.246 -13.706 1.00 0.00 H new ATOM 0 HA ARG A 43 3.472 -4.109 -15.951 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.851 -5.242 -15.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.675 -3.707 -16.207 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.272 -4.668 -18.169 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.826 -5.119 -17.495 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.208 -7.305 -17.304 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.721 -6.886 -16.476 1.00 0.00 H new ATOM 0 HE ARG A 43 0.163 -6.175 -19.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.392 -9.125 -17.560 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.694 -10.197 -18.778 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.739 -7.561 -20.679 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.516 -9.309 -20.549 1.00 0.00 H new ATOM 701 N GLY A 44 2.123 -2.261 -13.695 1.00 0.00 N ATOM 702 CA GLY A 44 1.903 -0.899 -13.237 1.00 0.00 C ATOM 703 C GLY A 44 0.409 -0.580 -13.161 1.00 0.00 C ATOM 704 O GLY A 44 0.024 0.522 -12.775 1.00 0.00 O ATOM 0 H GLY A 44 2.043 -2.974 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.358 -0.764 -12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.394 -0.200 -13.915 1.00 0.00 H new ATOM 708 N LEU A 45 -0.393 -1.566 -13.537 1.00 0.00 N ATOM 709 CA LEU A 45 -1.837 -1.404 -13.517 1.00 0.00 C ATOM 710 C LEU A 45 -2.353 -1.635 -12.095 1.00 0.00 C ATOM 711 O LEU A 45 -2.311 -2.755 -11.589 1.00 0.00 O ATOM 712 CB LEU A 45 -2.493 -2.309 -14.562 1.00 0.00 C ATOM 713 CG LEU A 45 -3.864 -2.878 -14.191 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.861 -1.756 -13.898 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.374 -3.829 -15.276 1.00 0.00 C ATOM 0 H LEU A 45 -0.070 -2.479 -13.857 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.109 -0.385 -13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.595 -1.745 -15.489 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.820 -3.141 -14.767 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.757 -3.461 -13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.827 -2.187 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.496 -1.153 -13.067 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.971 -1.127 -14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.350 -4.220 -14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.463 -3.290 -16.220 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.673 -4.655 -15.394 1.00 0.00 H new ATOM 727 N LYS A 46 -2.826 -0.555 -11.489 1.00 0.00 N ATOM 728 CA LYS A 46 -3.348 -0.626 -10.135 1.00 0.00 C ATOM 729 C LYS A 46 -4.877 -0.636 -10.182 1.00 0.00 C ATOM 730 O LYS A 46 -5.483 0.114 -10.947 1.00 0.00 O ATOM 731 CB LYS A 46 -2.766 0.500 -9.277 1.00 0.00 C ATOM 732 CG LYS A 46 -3.111 1.870 -9.864 1.00 0.00 C ATOM 733 CD LYS A 46 -2.609 2.997 -8.959 1.00 0.00 C ATOM 734 CE LYS A 46 -1.107 2.864 -8.701 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.426 4.159 -8.926 1.00 0.00 N ATOM 0 H LYS A 46 -2.858 0.373 -11.911 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.038 -1.554 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.155 0.427 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.683 0.390 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.665 1.968 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.190 1.954 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.818 3.961 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.148 2.975 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.936 2.529 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.685 2.105 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.593 4.051 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.574 4.463 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.818 4.874 -8.280 1.00 0.00 H new ATOM 749 N VAL A 47 -5.458 -1.493 -9.356 1.00 0.00 N ATOM 750 CA VAL A 47 -6.904 -1.610 -9.294 1.00 0.00 C ATOM 751 C VAL A 47 -7.355 -1.553 -7.834 1.00 0.00 C ATOM 752 O VAL A 47 -6.593 -1.897 -6.931 1.00 0.00 O ATOM 753 CB VAL A 47 -7.358 -2.884 -10.010 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.216 -4.105 -9.099 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.793 -2.746 -10.522 1.00 0.00 C ATOM 0 H VAL A 47 -4.953 -2.114 -8.724 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.376 -0.776 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.708 -3.032 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.545 -4.997 -9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.172 -4.222 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.829 -3.968 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.089 -3.666 -11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.463 -2.561 -9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.851 -1.913 -11.223 1.00 0.00 H new ATOM 765 N CYS A 48 -8.591 -1.115 -7.646 1.00 0.00 N ATOM 766 CA CYS A 48 -9.153 -1.008 -6.309 1.00 0.00 C ATOM 767 C CYS A 48 -10.175 -2.132 -6.126 1.00 0.00 C ATOM 768 O CYS A 48 -10.935 -2.440 -7.044 1.00 0.00 O ATOM 769 CB CYS A 48 -9.769 0.370 -6.064 1.00 0.00 C ATOM 770 SG CYS A 48 -11.430 0.609 -6.792 1.00 0.00 S ATOM 0 H CYS A 48 -9.220 -0.830 -8.397 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.361 -1.116 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.831 0.538 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.099 1.129 -6.467 1.00 0.00 H new ATOM 775 N ALA A 49 -10.161 -2.713 -4.935 1.00 0.00 N ATOM 776 CA ALA A 49 -11.078 -3.795 -4.620 1.00 0.00 C ATOM 777 C ALA A 49 -11.576 -3.633 -3.183 1.00 0.00 C ATOM 778 O ALA A 49 -10.907 -3.016 -2.356 1.00 0.00 O ATOM 779 CB ALA A 49 -10.380 -5.138 -4.848 1.00 0.00 C ATOM 0 H ALA A 49 -9.529 -2.455 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.948 -3.764 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.068 -5.950 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.072 -5.215 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.503 -5.206 -4.204 1.00 0.00 H new ATOM 785 N ASP A 50 -12.747 -4.200 -2.928 1.00 0.00 N ATOM 786 CA ASP A 50 -13.341 -4.126 -1.605 1.00 0.00 C ATOM 787 C ASP A 50 -12.705 -5.187 -0.704 1.00 0.00 C ATOM 788 O ASP A 50 -12.599 -6.350 -1.089 1.00 0.00 O ATOM 789 CB ASP A 50 -14.847 -4.397 -1.663 1.00 0.00 C ATOM 790 CG ASP A 50 -15.728 -3.147 -1.667 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.215 -2.089 -1.244 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.896 -3.278 -2.093 1.00 0.00 O ATOM 0 H ASP A 50 -13.299 -4.712 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.168 -3.124 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.062 -4.978 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.123 -5.015 -0.809 1.00 0.00 H new ATOM 797 N PRO A 51 -12.287 -4.735 0.508 1.00 0.00 N ATOM 798 CA PRO A 51 -11.663 -5.631 1.466 1.00 0.00 C ATOM 799 C PRO A 51 -12.703 -6.540 2.125 1.00 0.00 C ATOM 800 O PRO A 51 -12.375 -7.321 3.016 1.00 0.00 O ATOM 801 CB PRO A 51 -10.959 -4.720 2.457 1.00 0.00 C ATOM 802 CG PRO A 51 -11.596 -3.349 2.289 1.00 0.00 C ATOM 803 CD PRO A 51 -12.396 -3.364 0.997 1.00 0.00 C ATOM 0 HA PRO A 51 -10.953 -6.315 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.080 -5.085 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.888 -4.680 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.243 -3.122 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.831 -2.574 2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.436 -3.088 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.995 -2.653 0.275 1.00 0.00 H new ATOM 811 N GLN A 52 -13.937 -6.407 1.659 1.00 0.00 N ATOM 812 CA GLN A 52 -15.028 -7.206 2.192 1.00 0.00 C ATOM 813 C GLN A 52 -15.026 -8.597 1.556 1.00 0.00 C ATOM 814 O GLN A 52 -15.719 -9.499 2.024 1.00 0.00 O ATOM 815 CB GLN A 52 -16.373 -6.508 1.982 1.00 0.00 C ATOM 816 CG GLN A 52 -17.363 -6.882 3.086 1.00 0.00 C ATOM 817 CD GLN A 52 -17.624 -5.693 4.014 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.101 -4.647 3.606 1.00 0.00 O ATOM 819 NE2 GLN A 52 -17.287 -5.912 5.282 1.00 0.00 N ATOM 0 H GLN A 52 -14.205 -5.758 0.919 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.879 -7.319 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.228 -5.428 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.783 -6.786 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.301 -7.214 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.970 -7.719 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.892 -6.811 5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.424 -5.180 5.980 1.00 0.00 H new ATOM 828 N ALA A 53 -14.240 -8.728 0.497 1.00 0.00 N ATOM 829 CA ALA A 53 -14.140 -9.994 -0.208 1.00 0.00 C ATOM 830 C ALA A 53 -13.101 -10.878 0.484 1.00 0.00 C ATOM 831 O ALA A 53 -12.001 -10.422 0.795 1.00 0.00 O ATOM 832 CB ALA A 53 -13.799 -9.734 -1.677 1.00 0.00 C ATOM 0 H ALA A 53 -13.667 -7.978 0.111 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.092 -10.524 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.724 -10.684 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.582 -9.127 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.848 -9.206 -1.742 1.00 0.00 H new ATOM 838 N THR A 54 -13.485 -12.127 0.706 1.00 0.00 N ATOM 839 CA THR A 54 -12.600 -13.078 1.355 1.00 0.00 C ATOM 840 C THR A 54 -11.414 -13.408 0.447 1.00 0.00 C ATOM 841 O THR A 54 -10.290 -13.567 0.922 1.00 0.00 O ATOM 842 CB THR A 54 -13.428 -14.305 1.744 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.063 -13.923 2.961 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.557 -15.499 2.136 1.00 0.00 C ATOM 0 H THR A 54 -14.398 -12.502 0.448 1.00 0.00 H new ATOM 0 HA THR A 54 -12.167 -12.659 2.263 1.00 0.00 H new ATOM 0 HB THR A 54 -14.074 -14.586 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.622 -14.660 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.194 -16.342 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.921 -15.777 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.934 -15.231 2.989 1.00 0.00 H new ATOM 852 N TRP A 55 -11.704 -13.502 -0.842 1.00 0.00 N ATOM 853 CA TRP A 55 -10.675 -13.811 -1.820 1.00 0.00 C ATOM 854 C TRP A 55 -9.642 -12.683 -1.793 1.00 0.00 C ATOM 855 O TRP A 55 -8.449 -12.923 -1.971 1.00 0.00 O ATOM 856 CB TRP A 55 -11.284 -14.031 -3.206 1.00 0.00 C ATOM 857 CG TRP A 55 -11.445 -12.750 -4.025 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.550 -12.008 -4.186 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.420 -12.084 -4.792 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.313 -10.918 -4.999 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.976 -10.965 -5.379 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.068 -12.416 -4.984 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.253 -10.089 -6.196 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.359 -11.529 -5.803 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.903 -10.399 -6.401 1.00 0.00 C ATOM 0 H TRP A 55 -12.637 -13.370 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.175 -14.747 -1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.656 -14.728 -3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.260 -14.502 -3.092 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.505 -12.235 -3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.993 -10.208 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.612 -13.286 -4.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.712 -9.220 -6.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.315 -11.738 -5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.288 -9.763 -7.021 1.00 0.00 H new ATOM 876 N VAL A 56 -10.140 -11.475 -1.569 1.00 0.00 N ATOM 877 CA VAL A 56 -9.275 -10.308 -1.516 1.00 0.00 C ATOM 878 C VAL A 56 -8.375 -10.401 -0.282 1.00 0.00 C ATOM 879 O VAL A 56 -7.165 -10.204 -0.377 1.00 0.00 O ATOM 880 CB VAL A 56 -10.118 -9.031 -1.547 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.272 -7.808 -1.184 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.788 -8.849 -2.911 1.00 0.00 C ATOM 0 H VAL A 56 -11.130 -11.279 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.625 -10.274 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.904 -9.130 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.894 -6.914 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.863 -7.933 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.455 -7.705 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.381 -7.934 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.024 -8.782 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.437 -9.701 -3.114 1.00 0.00 H new ATOM 892 N ARG A 57 -9.001 -10.701 0.847 1.00 0.00 N ATOM 893 CA ARG A 57 -8.272 -10.822 2.097 1.00 0.00 C ATOM 894 C ARG A 57 -7.296 -11.999 2.031 1.00 0.00 C ATOM 895 O ARG A 57 -6.218 -11.951 2.624 1.00 0.00 O ATOM 896 CB ARG A 57 -9.228 -11.027 3.274 1.00 0.00 C ATOM 897 CG ARG A 57 -9.300 -9.772 4.146 1.00 0.00 C ATOM 898 CD ARG A 57 -10.505 -9.827 5.087 1.00 0.00 C ATOM 899 NE ARG A 57 -10.225 -10.740 6.217 1.00 0.00 N ATOM 900 CZ ARG A 57 -11.168 -11.275 7.003 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.460 -10.990 6.788 1.00 0.00 N ATOM 902 NH2 ARG A 57 -10.821 -12.094 8.005 1.00 0.00 N ATOM 0 H ARG A 57 -10.005 -10.864 0.921 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.719 -9.895 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.222 -11.273 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.895 -11.873 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.383 -9.676 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.369 -8.888 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.729 -8.829 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.386 -10.168 4.543 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.252 -10.977 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.725 -10.366 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.179 -11.397 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.838 -12.310 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.540 -12.501 8.603 1.00 0.00 H new ATOM 916 N ASP A 58 -7.707 -13.027 1.304 1.00 0.00 N ATOM 917 CA ASP A 58 -6.883 -14.215 1.153 1.00 0.00 C ATOM 918 C ASP A 58 -5.658 -13.874 0.302 1.00 0.00 C ATOM 919 O ASP A 58 -4.540 -14.269 0.630 1.00 0.00 O ATOM 920 CB ASP A 58 -7.653 -15.334 0.448 1.00 0.00 C ATOM 921 CG ASP A 58 -7.600 -16.694 1.146 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.601 -17.409 0.920 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.561 -16.987 1.891 1.00 0.00 O ATOM 0 H ASP A 58 -8.600 -13.062 0.813 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.590 -14.551 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.696 -15.032 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.259 -15.445 -0.562 1.00 0.00 H new ATOM 928 N VAL A 59 -5.911 -13.145 -0.775 1.00 0.00 N ATOM 929 CA VAL A 59 -4.841 -12.747 -1.676 1.00 0.00 C ATOM 930 C VAL A 59 -3.893 -11.795 -0.945 1.00 0.00 C ATOM 931 O VAL A 59 -2.681 -11.845 -1.147 1.00 0.00 O ATOM 932 CB VAL A 59 -5.431 -12.141 -2.952 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.446 -11.168 -3.602 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.850 -13.237 -3.935 1.00 0.00 C ATOM 0 H VAL A 59 -6.839 -12.820 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.257 -13.614 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.323 -11.579 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.889 -10.751 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.218 -10.362 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.528 -11.697 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.266 -12.781 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.981 -13.838 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.602 -13.874 -3.470 1.00 0.00 H new ATOM 944 N VAL A 60 -4.481 -10.949 -0.112 1.00 0.00 N ATOM 945 CA VAL A 60 -3.702 -9.986 0.649 1.00 0.00 C ATOM 946 C VAL A 60 -2.702 -10.732 1.535 1.00 0.00 C ATOM 947 O VAL A 60 -1.556 -10.309 1.675 1.00 0.00 O ATOM 948 CB VAL A 60 -4.635 -9.069 1.442 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.962 -8.579 2.725 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.106 -7.893 0.586 1.00 0.00 C ATOM 0 H VAL A 60 -5.487 -10.910 0.053 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.128 -9.344 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.513 -9.649 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.647 -7.929 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.700 -9.434 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.058 -8.024 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.768 -7.257 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.243 -7.313 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.643 -8.269 -0.285 1.00 0.00 H new ATOM 960 N ARG A 61 -3.172 -11.829 2.109 1.00 0.00 N ATOM 961 CA ARG A 61 -2.334 -12.638 2.977 1.00 0.00 C ATOM 962 C ARG A 61 -1.127 -13.173 2.202 1.00 0.00 C ATOM 963 O ARG A 61 0.002 -13.111 2.685 1.00 0.00 O ATOM 964 CB ARG A 61 -3.118 -13.815 3.561 1.00 0.00 C ATOM 965 CG ARG A 61 -2.563 -14.219 4.929 1.00 0.00 C ATOM 966 CD ARG A 61 -1.556 -15.363 4.795 1.00 0.00 C ATOM 967 NE ARG A 61 -1.575 -16.200 6.015 1.00 0.00 N ATOM 968 CZ ARG A 61 -2.605 -16.977 6.377 1.00 0.00 C ATOM 969 NH1 ARG A 61 -3.706 -17.030 5.614 1.00 0.00 N ATOM 970 NH2 ARG A 61 -2.535 -17.703 7.501 1.00 0.00 N ATOM 0 H ARG A 61 -4.123 -12.177 1.990 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.993 -12.002 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.170 -13.544 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.068 -14.664 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.083 -13.360 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.381 -14.524 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.798 -15.971 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.556 -14.961 4.636 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.753 -16.185 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.760 -16.479 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.490 -17.622 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.697 -17.664 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.319 -18.294 7.776 1.00 0.00 H new ATOM 984 N SER A 62 -1.408 -13.685 1.013 1.00 0.00 N ATOM 985 CA SER A 62 -0.360 -14.230 0.166 1.00 0.00 C ATOM 986 C SER A 62 0.481 -13.095 -0.421 1.00 0.00 C ATOM 987 O SER A 62 1.707 -13.185 -0.464 1.00 0.00 O ATOM 988 CB SER A 62 -0.949 -15.089 -0.954 1.00 0.00 C ATOM 989 OG SER A 62 -0.037 -16.092 -1.394 1.00 0.00 O ATOM 0 H SER A 62 -2.346 -13.734 0.616 1.00 0.00 H new ATOM 0 HA SER A 62 0.278 -14.867 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.867 -15.562 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.220 -14.451 -1.795 1.00 0.00 H new ATOM 0 HG SER A 62 0.778 -15.667 -1.733 1.00 0.00 H new ATOM 995 N MET A 63 -0.211 -12.053 -0.859 1.00 0.00 N ATOM 996 CA MET A 63 0.457 -10.902 -1.440 1.00 0.00 C ATOM 997 C MET A 63 1.724 -10.549 -0.658 1.00 0.00 C ATOM 998 O MET A 63 2.723 -10.134 -1.243 1.00 0.00 O ATOM 999 CB MET A 63 -0.495 -9.704 -1.440 1.00 0.00 C ATOM 1000 CG MET A 63 -1.418 -9.737 -2.660 1.00 0.00 C ATOM 1001 SD MET A 63 -1.255 -8.221 -3.589 1.00 0.00 S ATOM 1002 CE MET A 63 0.470 -8.318 -4.039 1.00 0.00 C ATOM 0 H MET A 63 -1.228 -11.983 -0.823 1.00 0.00 H new ATOM 0 HA MET A 63 0.742 -11.150 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.092 -9.709 -0.528 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.080 -8.778 -1.439 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.169 -10.589 -3.292 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.452 -9.868 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.866 -7.313 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.026 -8.816 -3.245 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.573 -8.884 -4.965 1.00 0.00 H new ATOM 1012 N ASP A 64 1.639 -10.726 0.652 1.00 0.00 N ATOM 1013 CA ASP A 64 2.766 -10.431 1.521 1.00 0.00 C ATOM 1014 C ASP A 64 3.949 -11.323 1.135 1.00 0.00 C ATOM 1015 O ASP A 64 5.073 -10.844 1.001 1.00 0.00 O ATOM 1016 CB ASP A 64 2.420 -10.711 2.985 1.00 0.00 C ATOM 1017 CG ASP A 64 3.228 -9.906 4.005 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.351 -9.496 3.643 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.703 -9.720 5.124 1.00 0.00 O ATOM 0 H ASP A 64 0.808 -11.070 1.133 1.00 0.00 H new ATOM 0 HA ASP A 64 3.015 -9.376 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.361 -10.505 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.570 -11.773 3.182 1.00 0.00 H new ATOM 1024 N ARG A 65 3.653 -12.603 0.970 1.00 0.00 N ATOM 1025 CA ARG A 65 4.679 -13.566 0.602 1.00 0.00 C ATOM 1026 C ARG A 65 5.110 -13.353 -0.850 1.00 0.00 C ATOM 1027 O ARG A 65 6.258 -13.620 -1.205 1.00 0.00 O ATOM 1028 CB ARG A 65 4.173 -15.000 0.771 1.00 0.00 C ATOM 1029 CG ARG A 65 3.664 -15.563 -0.557 1.00 0.00 C ATOM 1030 CD ARG A 65 2.907 -16.875 -0.343 1.00 0.00 C ATOM 1031 NE ARG A 65 3.326 -17.873 -1.353 1.00 0.00 N ATOM 1032 CZ ARG A 65 4.420 -18.638 -1.243 1.00 0.00 C ATOM 1033 NH1 ARG A 65 5.211 -18.526 -0.168 1.00 0.00 N ATOM 1034 NH2 ARG A 65 4.722 -19.516 -2.209 1.00 0.00 N ATOM 0 H ARG A 65 2.719 -12.997 1.084 1.00 0.00 H new ATOM 0 HA ARG A 65 5.531 -13.412 1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.976 -15.630 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.372 -15.022 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.009 -14.836 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.504 -15.730 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.101 -17.257 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.833 -16.701 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 65 2.746 -17.985 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.980 -17.858 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.044 -19.109 -0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.119 -19.601 -3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.555 -20.099 -2.126 1.00 0.00 H new ATOM 1048 N LYS A 66 4.170 -12.874 -1.650 1.00 0.00 N ATOM 1049 CA LYS A 66 4.438 -12.623 -3.056 1.00 0.00 C ATOM 1050 C LYS A 66 5.470 -11.501 -3.179 1.00 0.00 C ATOM 1051 O LYS A 66 6.318 -11.527 -4.071 1.00 0.00 O ATOM 1052 CB LYS A 66 3.136 -12.347 -3.810 1.00 0.00 C ATOM 1053 CG LYS A 66 3.284 -12.673 -5.297 1.00 0.00 C ATOM 1054 CD LYS A 66 3.663 -11.426 -6.097 1.00 0.00 C ATOM 1055 CE LYS A 66 4.649 -11.770 -7.215 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.937 -11.072 -7.004 1.00 0.00 N ATOM 0 H LYS A 66 3.220 -12.653 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 66 4.868 -13.507 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.330 -12.943 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.857 -11.300 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.046 -13.440 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.349 -13.083 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.766 -10.977 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.106 -10.684 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.813 -12.847 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.228 -11.485 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.671 -11.511 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.836 -10.070 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.211 -11.144 -6.003 1.00 0.00 H new ATOM 1070 N SER A 67 5.365 -10.540 -2.272 1.00 0.00 N ATOM 1071 CA SER A 67 6.280 -9.411 -2.269 1.00 0.00 C ATOM 1072 C SER A 67 6.958 -9.291 -0.903 1.00 0.00 C ATOM 1073 O SER A 67 7.018 -8.204 -0.329 1.00 0.00 O ATOM 1074 CB SER A 67 5.550 -8.111 -2.616 1.00 0.00 C ATOM 1075 OG SER A 67 6.425 -6.987 -2.597 1.00 0.00 O ATOM 0 H SER A 67 4.661 -10.520 -1.535 1.00 0.00 H new ATOM 0 HA SER A 67 7.040 -9.584 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.097 -8.202 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.738 -7.951 -1.907 1.00 0.00 H new ATOM 0 HG SER A 67 6.844 -6.914 -1.714 1.00 0.00 H new ATOM 1081 N ASN A 68 7.452 -10.422 -0.421 1.00 0.00 N ATOM 1082 CA ASN A 68 8.124 -10.458 0.867 1.00 0.00 C ATOM 1083 C ASN A 68 9.636 -10.363 0.651 1.00 0.00 C ATOM 1084 O ASN A 68 10.299 -9.516 1.246 1.00 0.00 O ATOM 1085 CB ASN A 68 7.832 -11.766 1.604 1.00 0.00 C ATOM 1086 CG ASN A 68 7.084 -11.502 2.912 1.00 0.00 C ATOM 1087 OD1 ASN A 68 5.902 -11.776 3.048 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.835 -10.957 3.864 1.00 0.00 N ATOM 0 H ASN A 68 7.400 -11.321 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 68 7.759 -9.621 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.238 -12.422 0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.767 -12.286 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.428 -10.743 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.818 -10.753 3.684 1.00 0.00 H new ATOM 1095 N THR A 69 10.135 -11.244 -0.203 1.00 0.00 N ATOM 1096 CA THR A 69 11.557 -11.272 -0.504 1.00 0.00 C ATOM 1097 C THR A 69 12.069 -9.858 -0.787 1.00 0.00 C ATOM 1098 O THR A 69 13.256 -9.580 -0.625 1.00 0.00 O ATOM 1099 CB THR A 69 11.775 -12.240 -1.669 1.00 0.00 C ATOM 1100 OG1 THR A 69 13.096 -11.952 -2.117 1.00 0.00 O ATOM 1101 CG2 THR A 69 10.892 -11.913 -2.875 1.00 0.00 C ATOM 0 H THR A 69 9.581 -11.944 -0.696 1.00 0.00 H new ATOM 0 HA THR A 69 12.135 -11.630 0.348 1.00 0.00 H new ATOM 0 HB THR A 69 11.573 -13.258 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.226 -12.324 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.086 -12.630 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.843 -11.969 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.117 -10.907 -3.228 1.00 0.00 H new ATOM 1109 N ARG A 70 11.147 -9.000 -1.202 1.00 0.00 N ATOM 1110 CA ARG A 70 11.491 -7.622 -1.508 1.00 0.00 C ATOM 1111 C ARG A 70 11.779 -6.849 -0.220 1.00 0.00 C ATOM 1112 O ARG A 70 12.689 -6.022 -0.178 1.00 0.00 O ATOM 1113 CB ARG A 70 10.359 -6.929 -2.268 1.00 0.00 C ATOM 1114 CG ARG A 70 10.689 -6.814 -3.758 1.00 0.00 C ATOM 1115 CD ARG A 70 11.375 -5.481 -4.066 1.00 0.00 C ATOM 1116 NE ARG A 70 12.740 -5.722 -4.584 1.00 0.00 N ATOM 1117 CZ ARG A 70 13.012 -6.087 -5.844 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.014 -6.256 -6.722 1.00 0.00 N ATOM 1119 NH2 ARG A 70 14.281 -6.284 -6.226 1.00 0.00 N ATOM 0 H ARG A 70 10.163 -9.233 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 70 12.382 -7.633 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.433 -7.490 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.191 -5.936 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.337 -7.638 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.774 -6.901 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.792 -4.924 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.422 -4.870 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 70 13.523 -5.603 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.048 -6.107 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.220 -6.534 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.041 -6.156 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.487 -6.562 -7.185 1.00 0.00 H new ATOM 1133 N ASN A 71 10.987 -7.145 0.801 1.00 0.00 N ATOM 1134 CA ASN A 71 11.146 -6.488 2.087 1.00 0.00 C ATOM 1135 C ASN A 71 12.585 -6.673 2.575 1.00 0.00 C ATOM 1136 O ASN A 71 12.988 -7.782 2.923 1.00 0.00 O ATOM 1137 CB ASN A 71 10.210 -7.093 3.134 1.00 0.00 C ATOM 1138 CG ASN A 71 8.851 -6.390 3.126 1.00 0.00 C ATOM 1139 OD1 ASN A 71 8.404 -5.859 2.123 1.00 0.00 O ATOM 1140 ND2 ASN A 71 8.221 -6.418 4.297 1.00 0.00 N ATOM 0 H ASN A 71 10.233 -7.831 0.763 1.00 0.00 H new ATOM 0 HA ASN A 71 10.908 -5.432 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.075 -8.156 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.661 -7.009 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.306 -5.977 4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.653 -6.880 5.097 1.00 0.00 H new ATOM 1147 N ASN A 72 13.319 -5.571 2.585 1.00 0.00 N ATOM 1148 CA ASN A 72 14.703 -5.598 3.025 1.00 0.00 C ATOM 1149 C ASN A 72 15.372 -6.875 2.513 1.00 0.00 C ATOM 1150 O ASN A 72 16.027 -7.585 3.274 1.00 0.00 O ATOM 1151 CB ASN A 72 14.797 -5.595 4.552 1.00 0.00 C ATOM 1152 CG ASN A 72 14.106 -4.363 5.141 1.00 0.00 C ATOM 1153 OD1 ASN A 72 14.616 -3.256 5.104 1.00 0.00 O ATOM 1154 ND2 ASN A 72 12.920 -4.617 5.686 1.00 0.00 N ATOM 0 H ASN A 72 12.981 -4.653 2.295 1.00 0.00 H new ATOM 0 HA ASN A 72 15.198 -4.710 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.337 -6.500 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.844 -5.609 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.380 -3.861 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.551 -5.568 5.683 1.00 0.00 H new ATOM 1161 N MET A 73 15.183 -7.128 1.226 1.00 0.00 N ATOM 1162 CA MET A 73 15.760 -8.309 0.604 1.00 0.00 C ATOM 1163 C MET A 73 17.155 -8.597 1.163 1.00 0.00 C ATOM 1164 O MET A 73 17.290 -9.244 2.199 1.00 0.00 O ATOM 1165 CB MET A 73 15.849 -8.095 -0.908 1.00 0.00 C ATOM 1166 CG MET A 73 16.606 -9.244 -1.580 1.00 0.00 C ATOM 1167 SD MET A 73 16.170 -10.794 -0.809 1.00 0.00 S ATOM 1168 CE MET A 73 15.683 -11.730 -2.250 1.00 0.00 C ATOM 0 H MET A 73 14.639 -6.537 0.597 1.00 0.00 H new ATOM 0 HA MET A 73 15.119 -9.163 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.846 -8.020 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.353 -7.151 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.366 -9.277 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.680 -9.078 -1.501 1.00 0.00 H new ATOM 0 HE1 MET A 73 15.197 -12.654 -1.937 1.00 0.00 H new ATOM 0 HE2 MET A 73 14.989 -11.141 -2.849 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.565 -11.967 -2.845 1.00 0.00 H new ATOM 1178 N ILE A 74 18.156 -8.102 0.451 1.00 0.00 N ATOM 1179 CA ILE A 74 19.536 -8.299 0.862 1.00 0.00 C ATOM 1180 C ILE A 74 20.469 -7.843 -0.262 1.00 0.00 C ATOM 1181 O ILE A 74 20.041 -7.688 -1.405 1.00 0.00 O ATOM 1182 CB ILE A 74 19.763 -9.747 1.301 1.00 0.00 C ATOM 1183 CG1 ILE A 74 18.899 -10.710 0.484 1.00 0.00 C ATOM 1184 CG2 ILE A 74 19.534 -9.908 2.805 1.00 0.00 C ATOM 1185 CD1 ILE A 74 19.610 -12.049 0.280 1.00 0.00 C ATOM 0 H ILE A 74 18.039 -7.565 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 74 19.765 -7.687 1.734 1.00 0.00 H new ATOM 0 HB ILE A 74 20.804 -10.003 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.949 -10.873 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 74 18.669 -10.265 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 74 19.702 -10.947 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 74 20.227 -9.266 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.510 -9.626 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.973 -12.714 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.548 -11.886 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.816 -12.503 1.249 1.00 0.00 H new ATOM 1197 N GLN A 75 21.726 -7.641 0.102 1.00 0.00 N ATOM 1198 CA GLN A 75 22.724 -7.206 -0.861 1.00 0.00 C ATOM 1199 C GLN A 75 23.492 -8.410 -1.410 1.00 0.00 C ATOM 1200 O GLN A 75 24.639 -8.644 -1.034 1.00 0.00 O ATOM 1201 CB GLN A 75 23.678 -6.184 -0.240 1.00 0.00 C ATOM 1202 CG GLN A 75 24.556 -6.834 0.832 1.00 0.00 C ATOM 1203 CD GLN A 75 24.791 -5.877 2.002 1.00 0.00 C ATOM 1204 OE1 GLN A 75 25.607 -4.972 1.943 1.00 0.00 O ATOM 1205 NE2 GLN A 75 24.035 -6.129 3.067 1.00 0.00 N ATOM 0 H GLN A 75 22.077 -7.770 1.051 1.00 0.00 H new ATOM 0 HA GLN A 75 22.211 -6.718 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 75 24.308 -5.750 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 75 23.106 -5.367 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 75 24.080 -7.746 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 25.512 -7.124 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 75 23.371 -6.903 3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 75 24.119 -5.548 3.901 1.00 0.00 H new ATOM 1214 N THR A 76 22.828 -9.143 -2.293 1.00 0.00 N ATOM 1215 CA THR A 76 23.434 -10.316 -2.898 1.00 0.00 C ATOM 1216 C THR A 76 24.856 -10.001 -3.366 1.00 0.00 C ATOM 1217 O THR A 76 25.087 -8.988 -4.023 1.00 0.00 O ATOM 1218 CB THR A 76 22.516 -10.795 -4.024 1.00 0.00 C ATOM 1219 OG1 THR A 76 23.272 -11.808 -4.681 1.00 0.00 O ATOM 1220 CG2 THR A 76 22.306 -9.729 -5.101 1.00 0.00 C ATOM 0 H THR A 76 21.876 -8.946 -2.603 1.00 0.00 H new ATOM 0 HA THR A 76 23.536 -11.126 -2.175 1.00 0.00 H new ATOM 0 HB THR A 76 21.551 -11.085 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.750 -12.175 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.647 -10.120 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.854 -8.844 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 76 23.267 -9.463 -5.542 1.00 0.00 H new ATOM 1228 N LYS A 77 25.772 -10.888 -3.009 1.00 0.00 N ATOM 1229 CA LYS A 77 27.166 -10.718 -3.384 1.00 0.00 C ATOM 1230 C LYS A 77 27.790 -12.089 -3.649 1.00 0.00 C ATOM 1231 O LYS A 77 27.653 -13.004 -2.839 1.00 0.00 O ATOM 1232 CB LYS A 77 27.909 -9.898 -2.328 1.00 0.00 C ATOM 1233 CG LYS A 77 29.406 -9.832 -2.637 1.00 0.00 C ATOM 1234 CD LYS A 77 30.237 -10.195 -1.404 1.00 0.00 C ATOM 1235 CE LYS A 77 30.515 -8.958 -0.547 1.00 0.00 C ATOM 1236 NZ LYS A 77 31.186 -9.342 0.715 1.00 0.00 N ATOM 0 H LYS A 77 25.577 -11.728 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 77 27.244 -10.148 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 77 27.497 -8.889 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 77 27.756 -10.342 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 77 29.643 -10.514 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 77 29.668 -8.829 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 77 29.708 -10.941 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 77 31.179 -10.645 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 31.141 -8.258 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 77 29.580 -8.443 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 31.367 -8.491 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 30.575 -9.992 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 32.088 -9.813 0.499 1.00 0.00 H new ATOM 1250 N PRO A 78 28.480 -12.192 -4.816 1.00 0.00 N ATOM 1251 CA PRO A 78 29.126 -13.435 -5.198 1.00 0.00 C ATOM 1252 C PRO A 78 30.401 -13.664 -4.384 1.00 0.00 C ATOM 1253 O PRO A 78 31.143 -12.723 -4.109 1.00 0.00 O ATOM 1254 CB PRO A 78 29.389 -13.302 -6.689 1.00 0.00 C ATOM 1255 CG PRO A 78 29.306 -11.815 -6.994 1.00 0.00 C ATOM 1256 CD PRO A 78 28.663 -11.128 -5.800 1.00 0.00 C ATOM 0 HA PRO A 78 28.508 -14.309 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 78 30.369 -13.700 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 78 28.653 -13.861 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 78 30.300 -11.407 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 78 28.718 -11.643 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 78 29.299 -10.333 -5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 78 27.711 -10.671 -6.071 1.00 0.00 H new ATOM 1264 N THR A 79 30.616 -14.920 -4.021 1.00 0.00 N ATOM 1265 CA THR A 79 31.789 -15.284 -3.244 1.00 0.00 C ATOM 1266 C THR A 79 33.064 -14.829 -3.957 1.00 0.00 C ATOM 1267 O THR A 79 33.006 -14.330 -5.080 1.00 0.00 O ATOM 1268 CB THR A 79 31.739 -16.792 -2.992 1.00 0.00 C ATOM 1269 OG1 THR A 79 31.560 -17.355 -4.289 1.00 0.00 O ATOM 1270 CG2 THR A 79 30.485 -17.217 -2.225 1.00 0.00 C ATOM 0 H THR A 79 29.998 -15.698 -4.250 1.00 0.00 H new ATOM 0 HA THR A 79 31.796 -14.778 -2.279 1.00 0.00 H new ATOM 0 HB THR A 79 32.625 -17.096 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 79 31.519 -18.332 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 79 30.500 -18.296 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 79 30.462 -16.715 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 79 29.598 -16.943 -2.797 1.00 0.00 H new ATOM 1278 N GLY A 80 34.184 -15.016 -3.275 1.00 0.00 N ATOM 1279 CA GLY A 80 35.471 -14.630 -3.829 1.00 0.00 C ATOM 1280 C GLY A 80 36.052 -15.750 -4.695 1.00 0.00 C ATOM 1281 O GLY A 80 35.603 -15.968 -5.819 1.00 0.00 O ATOM 0 H GLY A 80 34.227 -15.430 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 80 35.358 -13.725 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 36.163 -14.394 -3.021 1.00 0.00 H new ATOM 1285 N THR A 81 37.043 -16.430 -4.138 1.00 0.00 N ATOM 1286 CA THR A 81 37.691 -17.523 -4.846 1.00 0.00 C ATOM 1287 C THR A 81 37.822 -18.745 -3.934 1.00 0.00 C ATOM 1288 O THR A 81 36.904 -19.061 -3.179 1.00 0.00 O ATOM 1289 CB THR A 81 39.034 -17.013 -5.375 1.00 0.00 C ATOM 1290 OG1 THR A 81 39.565 -18.119 -6.097 1.00 0.00 O ATOM 1291 CG2 THR A 81 40.051 -16.774 -4.257 1.00 0.00 C ATOM 0 H THR A 81 37.413 -16.246 -3.206 1.00 0.00 H new ATOM 0 HA THR A 81 37.094 -17.853 -5.696 1.00 0.00 H new ATOM 0 HB THR A 81 38.878 -16.087 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 81 40.538 -18.146 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 81 40.986 -16.413 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 81 39.660 -16.031 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 81 40.233 -17.708 -3.725 1.00 0.00 H new ATOM 1299 N GLN A 82 38.970 -19.398 -4.036 1.00 0.00 N ATOM 1300 CA GLN A 82 39.233 -20.579 -3.230 1.00 0.00 C ATOM 1301 C GLN A 82 40.728 -20.902 -3.234 1.00 0.00 C ATOM 1302 O GLN A 82 41.494 -20.304 -3.988 1.00 0.00 O ATOM 1303 CB GLN A 82 38.412 -21.772 -3.724 1.00 0.00 C ATOM 1304 CG GLN A 82 37.587 -22.378 -2.587 1.00 0.00 C ATOM 1305 CD GLN A 82 36.840 -23.628 -3.057 1.00 0.00 C ATOM 1306 OE1 GLN A 82 36.726 -23.906 -4.239 1.00 0.00 O ATOM 1307 NE2 GLN A 82 36.339 -24.363 -2.067 1.00 0.00 N ATOM 0 H GLN A 82 39.729 -19.132 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 82 38.930 -20.371 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 82 37.750 -21.454 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 82 39.077 -22.529 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 82 38.242 -22.633 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 82 36.874 -21.641 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 82 36.471 -24.072 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 82 35.823 -25.217 -2.277 1.00 0.00 H new ATOM 1316 N GLN A 83 41.099 -21.847 -2.382 1.00 0.00 N ATOM 1317 CA GLN A 83 42.488 -22.257 -2.278 1.00 0.00 C ATOM 1318 C GLN A 83 42.681 -23.644 -2.893 1.00 0.00 C ATOM 1319 O GLN A 83 41.717 -24.389 -3.067 1.00 0.00 O ATOM 1320 CB GLN A 83 42.960 -22.232 -0.823 1.00 0.00 C ATOM 1321 CG GLN A 83 44.334 -21.569 -0.702 1.00 0.00 C ATOM 1322 CD GLN A 83 44.206 -20.045 -0.666 1.00 0.00 C ATOM 1323 OE1 GLN A 83 43.551 -19.432 -1.493 1.00 0.00 O ATOM 1324 NE2 GLN A 83 44.866 -19.471 0.335 1.00 0.00 N ATOM 0 H GLN A 83 40.461 -22.340 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 83 43.098 -21.546 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 83 42.237 -21.692 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 83 43.008 -23.250 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 83 44.831 -21.917 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 83 44.960 -21.865 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 83 45.395 -20.044 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 83 44.843 -18.457 0.446 1.00 0.00 H new ATOM 1333 N SER A 84 43.932 -23.951 -3.205 1.00 0.00 N ATOM 1334 CA SER A 84 44.262 -25.237 -3.796 1.00 0.00 C ATOM 1335 C SER A 84 45.746 -25.544 -3.585 1.00 0.00 C ATOM 1336 O SER A 84 46.560 -24.631 -3.455 1.00 0.00 O ATOM 1337 CB SER A 84 43.922 -25.260 -5.288 1.00 0.00 C ATOM 1338 OG SER A 84 44.511 -24.167 -5.987 1.00 0.00 O ATOM 0 H SER A 84 44.729 -23.331 -3.060 1.00 0.00 H new ATOM 0 HA SER A 84 43.665 -26.004 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 84 44.267 -26.197 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 84 42.840 -25.230 -5.414 1.00 0.00 H new ATOM 0 HG SER A 84 44.272 -24.219 -6.936 1.00 0.00 H new ATOM 1344 N THR A 85 46.052 -26.833 -3.555 1.00 0.00 N ATOM 1345 CA THR A 85 47.423 -27.272 -3.362 1.00 0.00 C ATOM 1346 C THR A 85 47.961 -27.920 -4.639 1.00 0.00 C ATOM 1347 O THR A 85 47.389 -27.751 -5.715 1.00 0.00 O ATOM 1348 CB THR A 85 47.455 -28.202 -2.149 1.00 0.00 C ATOM 1349 OG1 THR A 85 48.842 -28.336 -1.850 1.00 0.00 O ATOM 1350 CG2 THR A 85 47.008 -29.624 -2.489 1.00 0.00 C ATOM 0 H THR A 85 45.374 -27.587 -3.661 1.00 0.00 H new ATOM 0 HA THR A 85 48.083 -26.429 -3.161 1.00 0.00 H new ATOM 0 HB THR A 85 46.814 -27.798 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 85 48.954 -28.923 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 85 47.050 -30.243 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 85 45.986 -29.603 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 85 47.669 -30.041 -3.249 1.00 0.00 H new ATOM 1358 N ASN A 86 49.055 -28.650 -4.479 1.00 0.00 N ATOM 1359 CA ASN A 86 49.677 -29.325 -5.606 1.00 0.00 C ATOM 1360 C ASN A 86 50.733 -30.304 -5.089 1.00 0.00 C ATOM 1361 O ASN A 86 51.153 -30.217 -3.936 1.00 0.00 O ATOM 1362 CB ASN A 86 50.371 -28.325 -6.532 1.00 0.00 C ATOM 1363 CG ASN A 86 49.758 -28.358 -7.933 1.00 0.00 C ATOM 1364 OD1 ASN A 86 48.799 -29.061 -8.203 1.00 0.00 O ATOM 1365 ND2 ASN A 86 50.364 -27.559 -8.807 1.00 0.00 N ATOM 0 H ASN A 86 49.527 -28.789 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 86 48.896 -29.847 -6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 86 50.286 -27.320 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 86 51.435 -28.556 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 86 50.030 -27.509 -9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 86 51.163 -26.996 -8.515 1.00 0.00 H new ATOM 1372 N THR A 87 51.132 -31.211 -5.967 1.00 0.00 N ATOM 1373 CA THR A 87 52.132 -32.206 -5.614 1.00 0.00 C ATOM 1374 C THR A 87 53.301 -32.161 -6.600 1.00 0.00 C ATOM 1375 O THR A 87 53.200 -31.544 -7.659 1.00 0.00 O ATOM 1376 CB THR A 87 51.441 -33.569 -5.553 1.00 0.00 C ATOM 1377 OG1 THR A 87 50.953 -33.771 -6.877 1.00 0.00 O ATOM 1378 CG2 THR A 87 50.178 -33.549 -4.690 1.00 0.00 C ATOM 0 H THR A 87 50.782 -31.279 -6.923 1.00 0.00 H new ATOM 0 HA THR A 87 52.566 -32.001 -4.635 1.00 0.00 H new ATOM 0 HB THR A 87 52.137 -34.310 -5.160 1.00 0.00 H new ATOM 0 HG1 THR A 87 50.492 -34.634 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 87 49.727 -34.542 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 87 50.438 -33.259 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 87 49.468 -32.832 -5.101 1.00 0.00 H new ATOM 1386 N ALA A 88 54.383 -32.820 -6.216 1.00 0.00 N ATOM 1387 CA ALA A 88 55.571 -32.862 -7.052 1.00 0.00 C ATOM 1388 C ALA A 88 56.656 -33.681 -6.350 1.00 0.00 C ATOM 1389 O ALA A 88 57.357 -33.171 -5.478 1.00 0.00 O ATOM 1390 CB ALA A 88 56.027 -31.435 -7.364 1.00 0.00 C ATOM 0 H ALA A 88 54.463 -33.330 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 88 55.354 -33.350 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 88 56.918 -31.467 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 88 55.232 -30.906 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.256 -30.915 -6.434 1.00 0.00 H new ATOM 1396 N VAL A 89 56.760 -34.938 -6.756 1.00 0.00 N ATOM 1397 CA VAL A 89 57.747 -35.832 -6.177 1.00 0.00 C ATOM 1398 C VAL A 89 58.477 -36.574 -7.298 1.00 0.00 C ATOM 1399 O VAL A 89 57.852 -37.274 -8.094 1.00 0.00 O ATOM 1400 CB VAL A 89 57.077 -36.774 -5.175 1.00 0.00 C ATOM 1401 CG1 VAL A 89 56.211 -37.813 -5.892 1.00 0.00 C ATOM 1402 CG2 VAL A 89 58.116 -37.450 -4.278 1.00 0.00 C ATOM 0 H VAL A 89 56.176 -35.358 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 89 58.494 -35.266 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 89 56.424 -36.176 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 89 55.747 -38.470 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 89 55.436 -37.306 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 89 56.833 -38.404 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.613 -38.114 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 89 58.806 -38.028 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.670 -36.690 -3.726 1.00 0.00 H new ATOM 1412 N THR A 90 59.790 -36.398 -7.326 1.00 0.00 N ATOM 1413 CA THR A 90 60.612 -37.042 -8.336 1.00 0.00 C ATOM 1414 C THR A 90 61.408 -38.194 -7.721 1.00 0.00 C ATOM 1415 O THR A 90 61.743 -38.159 -6.538 1.00 0.00 O ATOM 1416 CB THR A 90 61.492 -35.970 -8.982 1.00 0.00 C ATOM 1417 OG1 THR A 90 60.564 -35.001 -9.462 1.00 0.00 O ATOM 1418 CG2 THR A 90 62.193 -36.473 -10.246 1.00 0.00 C ATOM 0 H THR A 90 60.305 -35.818 -6.664 1.00 0.00 H new ATOM 0 HA THR A 90 60.000 -37.494 -9.116 1.00 0.00 H new ATOM 0 HB THR A 90 62.238 -35.631 -8.263 1.00 0.00 H new ATOM 0 HG1 THR A 90 61.050 -34.268 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 90 62.805 -35.674 -10.665 1.00 0.00 H new ATOM 0 HG22 THR A 90 62.828 -37.323 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 90 61.446 -36.781 -10.978 1.00 0.00 H new ATOM 1426 N LEU A 91 61.688 -39.187 -8.551 1.00 0.00 N ATOM 1427 CA LEU A 91 62.439 -40.347 -8.103 1.00 0.00 C ATOM 1428 C LEU A 91 63.888 -40.228 -8.582 1.00 0.00 C ATOM 1429 O LEU A 91 64.139 -40.021 -9.769 1.00 0.00 O ATOM 1430 CB LEU A 91 61.749 -41.638 -8.551 1.00 0.00 C ATOM 1431 CG LEU A 91 62.673 -42.804 -8.907 1.00 0.00 C ATOM 1432 CD1 LEU A 91 63.502 -43.236 -7.696 1.00 0.00 C ATOM 1433 CD2 LEU A 91 61.881 -43.969 -9.503 1.00 0.00 C ATOM 0 H LEU A 91 61.408 -39.212 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 91 62.464 -40.386 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 91 61.078 -41.962 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 91 61.130 -41.413 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 91 63.372 -42.465 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 91 64.150 -44.066 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 91 64.111 -42.399 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 91 62.836 -43.551 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 62.562 -44.785 -9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 91 61.144 -44.316 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 91 61.372 -43.638 -10.408 1.00 0.00 H new ATOM 1445 N THR A 92 64.803 -40.362 -7.634 1.00 0.00 N ATOM 1446 CA THR A 92 66.220 -40.272 -7.943 1.00 0.00 C ATOM 1447 C THR A 92 66.542 -41.072 -9.207 1.00 0.00 C ATOM 1448 O THR A 92 65.951 -42.124 -9.448 1.00 0.00 O ATOM 1449 CB THR A 92 67.003 -40.736 -6.713 1.00 0.00 C ATOM 1450 OG1 THR A 92 68.331 -40.920 -7.196 1.00 0.00 O ATOM 1451 CG2 THR A 92 66.582 -42.130 -6.242 1.00 0.00 C ATOM 0 H THR A 92 64.591 -40.532 -6.651 1.00 0.00 H new ATOM 0 HA THR A 92 66.513 -39.245 -8.163 1.00 0.00 H new ATOM 0 HB THR A 92 66.862 -40.021 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 92 68.907 -41.219 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.168 -42.411 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 92 65.523 -42.122 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 92 66.754 -42.851 -7.041 1.00 0.00 H new ATOM 1459 N GLY A 93 67.478 -40.543 -9.981 1.00 0.00 N ATOM 1460 CA GLY A 93 67.886 -41.195 -11.214 1.00 0.00 C ATOM 1461 C GLY A 93 68.226 -42.666 -10.970 1.00 0.00 C ATOM 1462 O GLY A 93 69.385 -43.065 -11.070 1.00 0.00 O ATOM 0 H GLY A 93 67.966 -39.670 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 93 67.086 -41.120 -11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 93 68.753 -40.682 -11.631 1.00 0.00 H new TER 1466 GLY A 93