USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 821 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: B 208 LYS NZ :NH3+ -163:sc= -1.28 (180deg=-1.36!) USER MOD Set 1.2: B 209 THR OG1 : rot 80:sc= 0.857 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -112:sc= 0.17 (180deg=-0.398) USER MOD Set 2.2: A 74 CYS SG : rot -21:sc= -0.217 USER MOD Single : A 1 SER N :NH3+ -141:sc= 1.25 (180deg=0.00986!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 129:sc= -2.64! USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 0.351 (180deg=0.00522) USER MOD Single : A 10 MET CE :methyl 160:sc= -0.278 (180deg=-1.46) USER MOD Single : A 11 SER OG : rot -83:sc= 1.13 USER MOD Single : A 12 TYR OH : rot 131:sc= 0.844 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.825) USER MOD Single : A 17 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.93) USER MOD Single : A 19 SER OG : rot -39:sc= 0.719 USER MOD Single : A 23 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.03) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc=-0.00746 (180deg=-0.112) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 47 SER OG : rot 93:sc= 0.551 USER MOD Single : A 48 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.34) USER MOD Single : A 58 THR OG1 : rot -14:sc= -0.445 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0.785 (180deg=0.681) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 63 THR OG1 : rot 175:sc= 0.236 USER MOD Single : A 70 TYR OH : rot 169:sc= 0.738 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0321 (180deg=-0.23) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.028 (180deg=-0.255) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.064 (180deg=-0.331) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 LYS NZ :NH3+ -141:sc= -0.986 (180deg=-3.11!) USER MOD Single : B 205 LYS NZ :NH3+ -169:sc= 0.539 (180deg=-0.202) USER MOD Single : B 207 THR OG1 : rot 42:sc= 0.0556 USER MOD Single : B 211 GLN : amide:sc=-0.00185 K(o=-0.0018,f=-0.74) USER MOD Single : B 212 ASN : amide:sc= -0.0117 K(o=-0.012,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.646 -8.322 -12.388 1.00 0.00 N ATOM 2 CA SER A 1 -14.601 -7.211 -13.361 1.00 0.00 C ATOM 3 C SER A 1 -15.088 -5.906 -12.726 1.00 0.00 C ATOM 4 O SER A 1 -14.405 -4.886 -12.792 1.00 0.00 O ATOM 5 CB SER A 1 -15.455 -7.562 -14.579 1.00 0.00 C ATOM 6 OG SER A 1 -15.082 -8.822 -15.119 1.00 0.00 O ATOM 0 H1 SER A 1 -13.811 -8.929 -12.515 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.651 -7.937 -11.422 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.508 -8.883 -12.541 1.00 0.00 H new ATOM 0 HA SER A 1 -13.568 -7.064 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.507 -7.581 -14.296 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.344 -6.789 -15.340 1.00 0.00 H new ATOM 0 HG SER A 1 -15.644 -9.024 -15.896 1.00 0.00 H new ATOM 14 N GLU A 2 -16.265 -5.935 -12.107 1.00 0.00 N ATOM 15 CA GLU A 2 -16.808 -4.745 -11.461 1.00 0.00 C ATOM 16 C GLU A 2 -16.572 -4.758 -9.952 1.00 0.00 C ATOM 17 O GLU A 2 -16.322 -3.716 -9.352 1.00 0.00 O ATOM 18 CB GLU A 2 -18.310 -4.603 -11.726 1.00 0.00 C ATOM 19 CG GLU A 2 -18.680 -4.544 -13.198 1.00 0.00 C ATOM 20 CD GLU A 2 -20.145 -4.223 -13.405 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.488 -3.025 -13.499 1.00 0.00 O ATOM 22 OE2 GLU A 2 -20.964 -5.162 -13.452 1.00 0.00 O ATOM 0 H GLU A 2 -16.857 -6.763 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.281 -3.895 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.830 -5.443 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.670 -3.698 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.070 -3.789 -13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.449 -5.500 -13.668 1.00 0.00 H new ATOM 29 N GLU A 3 -16.637 -5.940 -9.345 1.00 0.00 N ATOM 30 CA GLU A 3 -16.683 -6.055 -7.887 1.00 0.00 C ATOM 31 C GLU A 3 -15.385 -5.607 -7.213 1.00 0.00 C ATOM 32 O GLU A 3 -15.401 -5.194 -6.056 1.00 0.00 O ATOM 33 CB GLU A 3 -17.024 -7.487 -7.466 1.00 0.00 C ATOM 34 CG GLU A 3 -18.376 -7.973 -7.970 1.00 0.00 C ATOM 35 CD GLU A 3 -18.794 -9.282 -7.337 1.00 0.00 C ATOM 36 OE1 GLU A 3 -18.343 -10.348 -7.799 1.00 0.00 O ATOM 37 OE2 GLU A 3 -19.583 -9.250 -6.366 1.00 0.00 O ATOM 0 H GLU A 3 -16.659 -6.832 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.470 -5.380 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.248 -8.158 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.009 -7.549 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.131 -7.215 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.335 -8.093 -9.053 1.00 0.00 H new ATOM 44 N GLU A 4 -14.266 -5.692 -7.915 1.00 0.00 N ATOM 45 CA GLU A 4 -12.997 -5.231 -7.352 1.00 0.00 C ATOM 46 C GLU A 4 -12.892 -3.710 -7.426 1.00 0.00 C ATOM 47 O GLU A 4 -12.213 -3.089 -6.610 1.00 0.00 O ATOM 48 CB GLU A 4 -11.779 -5.896 -8.032 1.00 0.00 C ATOM 49 CG GLU A 4 -11.865 -5.966 -9.549 1.00 0.00 C ATOM 50 CD GLU A 4 -12.680 -7.150 -10.024 1.00 0.00 C ATOM 51 OE1 GLU A 4 -12.108 -8.251 -10.170 1.00 0.00 O ATOM 52 OE2 GLU A 4 -13.898 -6.995 -10.235 1.00 0.00 O ATOM 0 H GLU A 4 -14.205 -6.069 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.984 -5.532 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.879 -5.345 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.667 -6.907 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.310 -5.046 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.860 -6.029 -9.965 1.00 0.00 H new ATOM 59 N ASP A 5 -13.581 -3.105 -8.388 1.00 0.00 N ATOM 60 CA ASP A 5 -13.604 -1.650 -8.494 1.00 0.00 C ATOM 61 C ASP A 5 -14.741 -1.084 -7.654 1.00 0.00 C ATOM 62 O ASP A 5 -14.776 0.110 -7.360 1.00 0.00 O ATOM 63 CB ASP A 5 -13.745 -1.184 -9.952 1.00 0.00 C ATOM 64 CG ASP A 5 -12.541 -1.528 -10.802 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.456 -0.949 -10.573 1.00 0.00 O ATOM 66 OD2 ASP A 5 -12.673 -2.367 -11.716 1.00 0.00 O ATOM 0 H ASP A 5 -14.126 -3.593 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.651 -1.277 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.633 -1.640 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.899 -0.105 -9.970 1.00 0.00 H new ATOM 71 N LYS A 6 -15.665 -1.953 -7.256 1.00 0.00 N ATOM 72 CA LYS A 6 -16.799 -1.553 -6.442 1.00 0.00 C ATOM 73 C LYS A 6 -16.709 -2.268 -5.098 1.00 0.00 C ATOM 74 O LYS A 6 -17.712 -2.640 -4.486 1.00 0.00 O ATOM 75 CB LYS A 6 -18.112 -1.883 -7.161 1.00 0.00 C ATOM 76 CG LYS A 6 -19.343 -1.217 -6.553 1.00 0.00 C ATOM 77 CD LYS A 6 -19.278 0.299 -6.676 1.00 0.00 C ATOM 78 CE LYS A 6 -20.499 0.960 -6.059 1.00 0.00 C ATOM 79 NZ LYS A 6 -20.438 2.444 -6.144 1.00 0.00 N ATOM 0 H LYS A 6 -15.646 -2.946 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.780 -0.476 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.027 -1.581 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.256 -2.963 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.240 -1.585 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.426 -1.494 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.377 0.667 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.205 0.577 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.397 0.605 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.583 0.661 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.291 2.852 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.596 2.786 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.384 2.733 -7.142 1.00 0.00 H new ATOM 93 N CYS A 7 -15.474 -2.472 -4.666 1.00 0.00 N ATOM 94 CA CYS A 7 -15.198 -3.155 -3.415 1.00 0.00 C ATOM 95 C CYS A 7 -15.579 -2.267 -2.239 1.00 0.00 C ATOM 96 O CYS A 7 -15.502 -1.038 -2.315 1.00 0.00 O ATOM 97 CB CYS A 7 -13.716 -3.534 -3.335 1.00 0.00 C ATOM 98 SG CYS A 7 -13.331 -4.766 -2.069 1.00 0.00 S ATOM 0 H CYS A 7 -14.640 -2.170 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.794 -4.067 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.398 -3.915 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.133 -2.634 -3.139 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.640 -5.731 -2.599 1.00 0.00 H new ATOM 104 N LYS A 8 -16.004 -2.901 -1.162 1.00 0.00 N ATOM 105 CA LYS A 8 -16.441 -2.198 0.031 1.00 0.00 C ATOM 106 C LYS A 8 -15.240 -1.797 0.876 1.00 0.00 C ATOM 107 O LYS A 8 -14.218 -2.486 0.876 1.00 0.00 O ATOM 108 CB LYS A 8 -17.392 -3.089 0.841 1.00 0.00 C ATOM 109 CG LYS A 8 -18.824 -3.115 0.315 1.00 0.00 C ATOM 110 CD LYS A 8 -18.893 -3.521 -1.150 1.00 0.00 C ATOM 111 CE LYS A 8 -20.318 -3.526 -1.669 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.366 -3.580 -3.155 1.00 0.00 N ATOM 0 H LYS A 8 -16.056 -3.917 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.972 -1.293 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.001 -4.106 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.403 -2.744 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.415 -3.810 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.272 -2.129 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.292 -2.834 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.458 -4.513 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.852 -4.383 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.834 -2.631 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.143 -2.981 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.465 -3.236 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.523 -4.561 -3.462 1.00 0.00 H new ATOM 126 N PRO A 9 -15.342 -0.668 1.597 1.00 0.00 N ATOM 127 CA PRO A 9 -14.264 -0.188 2.459 1.00 0.00 C ATOM 128 C PRO A 9 -13.907 -1.193 3.539 1.00 0.00 C ATOM 129 O PRO A 9 -14.788 -1.746 4.203 1.00 0.00 O ATOM 130 CB PRO A 9 -14.827 1.070 3.110 1.00 0.00 C ATOM 131 CG PRO A 9 -15.989 1.476 2.267 1.00 0.00 C ATOM 132 CD PRO A 9 -16.516 0.221 1.632 1.00 0.00 C ATOM 0 HA PRO A 9 -13.353 -0.015 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.137 0.874 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.077 1.860 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.758 1.957 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.684 2.196 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.330 -0.212 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.905 0.411 0.632 1.00 0.00 H new ATOM 140 N MET A 10 -12.620 -1.428 3.709 1.00 0.00 N ATOM 141 CA MET A 10 -12.154 -2.316 4.754 1.00 0.00 C ATOM 142 C MET A 10 -12.161 -1.592 6.095 1.00 0.00 C ATOM 143 O MET A 10 -12.084 -0.362 6.152 1.00 0.00 O ATOM 144 CB MET A 10 -10.760 -2.849 4.428 1.00 0.00 C ATOM 145 CG MET A 10 -9.708 -1.773 4.278 1.00 0.00 C ATOM 146 SD MET A 10 -8.079 -2.445 3.908 1.00 0.00 S ATOM 147 CE MET A 10 -8.423 -3.397 2.429 1.00 0.00 C ATOM 0 H MET A 10 -11.881 -1.017 3.138 1.00 0.00 H new ATOM 0 HA MET A 10 -12.830 -3.169 4.817 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.452 -3.536 5.216 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.810 -3.425 3.504 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.004 -1.089 3.483 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.656 -1.190 5.197 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.494 -3.575 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.869 -4.352 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.115 -2.844 1.793 1.00 0.00 H new ATOM 157 N SER A 11 -12.273 -2.365 7.158 1.00 0.00 N ATOM 158 CA SER A 11 -12.415 -1.833 8.508 1.00 0.00 C ATOM 159 C SER A 11 -11.134 -1.159 9.016 1.00 0.00 C ATOM 160 O SER A 11 -10.094 -1.195 8.350 1.00 0.00 O ATOM 161 CB SER A 11 -12.837 -2.959 9.454 1.00 0.00 C ATOM 162 OG SER A 11 -11.951 -4.064 9.364 1.00 0.00 O ATOM 0 H SER A 11 -12.269 -3.384 7.114 1.00 0.00 H new ATOM 0 HA SER A 11 -13.183 -1.060 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.857 -2.588 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.850 -3.281 9.212 1.00 0.00 H new ATOM 0 HG SER A 11 -12.204 -4.625 8.601 1.00 0.00 H new ATOM 168 N TYR A 12 -11.216 -0.557 10.200 1.00 0.00 N ATOM 169 CA TYR A 12 -10.084 0.161 10.795 1.00 0.00 C ATOM 170 C TYR A 12 -8.900 -0.789 10.998 1.00 0.00 C ATOM 171 O TYR A 12 -7.754 -0.446 10.688 1.00 0.00 O ATOM 172 CB TYR A 12 -10.520 0.783 12.135 1.00 0.00 C ATOM 173 CG TYR A 12 -9.569 1.819 12.703 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.307 1.469 13.164 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.952 3.151 12.795 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.454 2.417 13.695 1.00 0.00 C ATOM 177 CE2 TYR A 12 -9.105 4.104 13.323 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.858 3.734 13.770 1.00 0.00 C ATOM 179 OH TYR A 12 -7.014 4.685 14.302 1.00 0.00 O ATOM 0 H TYR A 12 -12.060 -0.551 10.773 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.766 0.957 10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.498 1.245 12.002 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.641 -0.016 12.866 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.987 0.439 13.107 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.931 3.446 12.447 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.476 2.129 14.050 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.420 5.135 13.385 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.970 5.457 13.700 1.00 0.00 H new ATOM 189 N GLU A 13 -9.197 -1.994 11.482 1.00 0.00 N ATOM 190 CA GLU A 13 -8.178 -3.002 11.758 1.00 0.00 C ATOM 191 C GLU A 13 -7.436 -3.347 10.470 1.00 0.00 C ATOM 192 O GLU A 13 -6.216 -3.503 10.460 1.00 0.00 O ATOM 193 CB GLU A 13 -8.853 -4.251 12.353 1.00 0.00 C ATOM 194 CG GLU A 13 -7.908 -5.244 13.026 1.00 0.00 C ATOM 195 CD GLU A 13 -7.094 -6.075 12.052 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.655 -6.522 11.028 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.892 -6.291 12.311 1.00 0.00 O ATOM 0 H GLU A 13 -10.148 -2.297 11.693 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.455 -2.616 12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.596 -3.930 13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.390 -4.767 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.228 -4.698 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.491 -5.912 13.660 1.00 0.00 H new ATOM 204 N GLU A 14 -8.187 -3.404 9.379 1.00 0.00 N ATOM 205 CA GLU A 14 -7.644 -3.818 8.094 1.00 0.00 C ATOM 206 C GLU A 14 -6.771 -2.724 7.490 1.00 0.00 C ATOM 207 O GLU A 14 -5.669 -2.995 7.023 1.00 0.00 O ATOM 208 CB GLU A 14 -8.774 -4.192 7.136 1.00 0.00 C ATOM 209 CG GLU A 14 -9.530 -5.448 7.545 1.00 0.00 C ATOM 210 CD GLU A 14 -10.742 -5.701 6.680 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.799 -5.083 6.931 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.642 -6.522 5.744 1.00 0.00 O ATOM 0 H GLU A 14 -9.179 -3.167 9.359 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.018 -4.696 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.476 -3.360 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.360 -4.336 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.861 -6.306 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.843 -5.357 8.585 1.00 0.00 H new ATOM 219 N LYS A 15 -7.261 -1.486 7.512 1.00 0.00 N ATOM 220 CA LYS A 15 -6.487 -0.351 7.017 1.00 0.00 C ATOM 221 C LYS A 15 -5.159 -0.226 7.757 1.00 0.00 C ATOM 222 O LYS A 15 -4.117 0.024 7.147 1.00 0.00 O ATOM 223 CB LYS A 15 -7.289 0.942 7.158 1.00 0.00 C ATOM 224 CG LYS A 15 -8.406 1.074 6.142 1.00 0.00 C ATOM 225 CD LYS A 15 -9.331 2.230 6.478 1.00 0.00 C ATOM 226 CE LYS A 15 -9.705 3.015 5.234 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.558 4.185 5.558 1.00 0.00 N ATOM 0 H LYS A 15 -8.187 -1.245 7.866 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.275 -0.525 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.713 0.990 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.614 1.792 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.981 1.224 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.978 0.147 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.234 1.849 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.845 2.891 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.799 3.354 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.231 2.363 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.412 4.929 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.557 3.897 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.303 4.551 6.497 1.00 0.00 H new ATOM 241 N ARG A 16 -5.197 -0.405 9.072 1.00 0.00 N ATOM 242 CA ARG A 16 -3.983 -0.361 9.878 1.00 0.00 C ATOM 243 C ARG A 16 -3.053 -1.521 9.516 1.00 0.00 C ATOM 244 O ARG A 16 -1.837 -1.346 9.434 1.00 0.00 O ATOM 245 CB ARG A 16 -4.322 -0.389 11.381 1.00 0.00 C ATOM 246 CG ARG A 16 -3.108 -0.244 12.297 1.00 0.00 C ATOM 247 CD ARG A 16 -3.459 -0.471 13.756 1.00 0.00 C ATOM 248 NE ARG A 16 -4.033 0.718 14.387 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.989 0.681 15.314 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.525 -0.478 15.675 1.00 0.00 N ATOM 251 NH2 ARG A 16 -5.414 1.803 15.878 1.00 0.00 N ATOM 0 H ARG A 16 -6.051 -0.581 9.601 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.467 0.574 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.026 0.414 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.827 -1.327 11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.340 -0.956 11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.683 0.753 12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.167 -1.296 13.832 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.563 -0.770 14.300 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.680 1.631 14.100 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.205 -1.345 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.257 -0.502 16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.009 2.698 15.602 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.146 1.772 16.587 1.00 0.00 H new ATOM 265 N GLN A 17 -3.630 -2.697 9.275 1.00 0.00 N ATOM 266 CA GLN A 17 -2.852 -3.870 8.917 1.00 0.00 C ATOM 267 C GLN A 17 -2.228 -3.702 7.541 1.00 0.00 C ATOM 268 O GLN A 17 -1.160 -4.230 7.268 1.00 0.00 O ATOM 269 CB GLN A 17 -3.724 -5.125 8.949 1.00 0.00 C ATOM 270 CG GLN A 17 -2.935 -6.405 8.748 1.00 0.00 C ATOM 271 CD GLN A 17 -1.909 -6.628 9.840 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.105 -6.222 10.987 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.808 -7.274 9.496 1.00 0.00 N ATOM 0 H GLN A 17 -4.636 -2.858 9.323 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.053 -3.982 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.245 -5.173 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.486 -5.050 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.621 -7.251 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.432 -6.371 7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.683 -7.594 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.083 -7.452 10.191 1.00 0.00 H new ATOM 282 N LEU A 18 -2.901 -2.950 6.693 1.00 0.00 N ATOM 283 CA LEU A 18 -2.425 -2.691 5.341 1.00 0.00 C ATOM 284 C LEU A 18 -1.191 -1.798 5.384 1.00 0.00 C ATOM 285 O LEU A 18 -0.240 -1.974 4.633 1.00 0.00 O ATOM 286 CB LEU A 18 -3.537 -2.038 4.524 1.00 0.00 C ATOM 287 CG LEU A 18 -3.702 -2.545 3.088 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.004 -2.043 2.509 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.548 -2.104 2.206 1.00 0.00 C ATOM 0 H LEU A 18 -3.789 -2.501 6.916 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.149 -3.633 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.480 -2.183 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.353 -0.964 4.490 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.709 -3.635 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.113 -2.408 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.835 -2.405 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.005 -0.953 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.698 -2.482 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.502 -1.015 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.614 -2.498 2.605 1.00 0.00 H new ATOM 301 N SER A 19 -1.200 -0.834 6.275 1.00 0.00 N ATOM 302 CA SER A 19 -0.005 -0.044 6.514 1.00 0.00 C ATOM 303 C SER A 19 1.121 -0.943 7.025 1.00 0.00 C ATOM 304 O SER A 19 2.300 -0.729 6.729 1.00 0.00 O ATOM 305 CB SER A 19 -0.301 1.071 7.514 1.00 0.00 C ATOM 306 OG SER A 19 -1.382 1.867 7.065 1.00 0.00 O ATOM 0 H SER A 19 -2.008 -0.577 6.842 1.00 0.00 H new ATOM 0 HA SER A 19 0.313 0.412 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.538 0.641 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.585 1.692 7.647 1.00 0.00 H new ATOM 0 HG SER A 19 -1.319 1.986 6.094 1.00 0.00 H new ATOM 312 N LEU A 20 0.738 -1.971 7.766 1.00 0.00 N ATOM 313 CA LEU A 20 1.690 -2.910 8.327 1.00 0.00 C ATOM 314 C LEU A 20 2.177 -3.915 7.279 1.00 0.00 C ATOM 315 O LEU A 20 3.328 -4.351 7.325 1.00 0.00 O ATOM 316 CB LEU A 20 1.065 -3.634 9.518 1.00 0.00 C ATOM 317 CG LEU A 20 0.777 -2.752 10.730 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.003 -3.543 11.761 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.074 -2.238 11.334 1.00 0.00 C ATOM 0 H LEU A 20 -0.235 -2.175 7.993 1.00 0.00 H new ATOM 0 HA LEU A 20 2.560 -2.348 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.133 -4.097 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.731 -4.440 9.824 1.00 0.00 H new ATOM 0 HG LEU A 20 0.182 -1.896 10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.202 -2.912 12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.938 -3.882 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.590 -4.406 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.850 -1.611 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.689 -3.082 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.615 -1.652 10.590 1.00 0.00 H new ATOM 331 N ASP A 21 1.312 -4.270 6.331 1.00 0.00 N ATOM 332 CA ASP A 21 1.657 -5.268 5.323 1.00 0.00 C ATOM 333 C ASP A 21 2.565 -4.686 4.241 1.00 0.00 C ATOM 334 O ASP A 21 3.454 -5.375 3.736 1.00 0.00 O ATOM 335 CB ASP A 21 0.402 -5.931 4.725 1.00 0.00 C ATOM 336 CG ASP A 21 -0.560 -5.007 4.019 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.118 -4.145 3.248 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.781 -5.202 4.195 1.00 0.00 O ATOM 0 H ASP A 21 0.372 -3.883 6.240 1.00 0.00 H new ATOM 0 HA ASP A 21 2.222 -6.053 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.721 -6.699 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.134 -6.438 5.527 1.00 0.00 H new ATOM 343 N ILE A 22 2.369 -3.417 3.906 1.00 0.00 N ATOM 344 CA ILE A 22 3.257 -2.732 2.971 1.00 0.00 C ATOM 345 C ILE A 22 4.624 -2.521 3.611 1.00 0.00 C ATOM 346 O ILE A 22 5.663 -2.609 2.952 1.00 0.00 O ATOM 347 CB ILE A 22 2.662 -1.377 2.522 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.421 -1.615 1.664 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.676 -0.551 1.752 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.515 -0.420 1.585 1.00 0.00 C ATOM 0 H ILE A 22 1.607 -2.842 4.265 1.00 0.00 H new ATOM 0 HA ILE A 22 3.367 -3.359 2.086 1.00 0.00 H new ATOM 0 HB ILE A 22 2.386 -0.817 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.732 -1.894 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.863 -2.459 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.223 0.394 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.541 -0.354 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.993 -1.099 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.346 -0.657 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.175 -0.154 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.058 0.420 1.151 1.00 0.00 H new ATOM 362 N ASN A 23 4.608 -2.271 4.915 1.00 0.00 N ATOM 363 CA ASN A 23 5.825 -2.120 5.701 1.00 0.00 C ATOM 364 C ASN A 23 6.646 -3.417 5.694 1.00 0.00 C ATOM 365 O ASN A 23 7.853 -3.407 5.942 1.00 0.00 O ATOM 366 CB ASN A 23 5.443 -1.722 7.130 1.00 0.00 C ATOM 367 CG ASN A 23 6.609 -1.728 8.100 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.879 -2.732 8.761 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.301 -0.606 8.199 1.00 0.00 N ATOM 0 H ASN A 23 3.750 -2.167 5.457 1.00 0.00 H new ATOM 0 HA ASN A 23 6.447 -1.341 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.001 -0.726 7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.676 -2.405 7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.092 -0.549 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.044 0.203 7.633 1.00 0.00 H new ATOM 376 N LYS A 24 5.987 -4.530 5.390 1.00 0.00 N ATOM 377 CA LYS A 24 6.646 -5.831 5.344 1.00 0.00 C ATOM 378 C LYS A 24 7.407 -6.023 4.034 1.00 0.00 C ATOM 379 O LYS A 24 8.493 -6.606 4.019 1.00 0.00 O ATOM 380 CB LYS A 24 5.615 -6.950 5.507 1.00 0.00 C ATOM 381 CG LYS A 24 5.006 -7.025 6.895 1.00 0.00 C ATOM 382 CD LYS A 24 3.930 -8.095 6.976 1.00 0.00 C ATOM 383 CE LYS A 24 3.262 -8.109 8.342 1.00 0.00 C ATOM 384 NZ LYS A 24 4.221 -8.436 9.431 1.00 0.00 N ATOM 0 H LYS A 24 4.991 -4.557 5.171 1.00 0.00 H new ATOM 0 HA LYS A 24 7.362 -5.871 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.818 -6.806 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.089 -7.904 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.787 -7.238 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.579 -6.057 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.180 -7.918 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.370 -9.072 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.813 -7.135 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.452 -8.839 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.700 -8.585 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.742 -9.302 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.892 -7.650 9.550 1.00 0.00 H new ATOM 398 N LEU A 25 6.831 -5.523 2.947 1.00 0.00 N ATOM 399 CA LEU A 25 7.390 -5.706 1.607 1.00 0.00 C ATOM 400 C LEU A 25 8.832 -5.223 1.520 1.00 0.00 C ATOM 401 O LEU A 25 9.146 -4.118 1.966 1.00 0.00 O ATOM 402 CB LEU A 25 6.559 -4.935 0.585 1.00 0.00 C ATOM 403 CG LEU A 25 5.096 -5.336 0.473 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.496 -4.712 -0.765 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.955 -6.838 0.435 1.00 0.00 C ATOM 0 H LEU A 25 5.967 -4.981 2.966 1.00 0.00 H new ATOM 0 HA LEU A 25 7.367 -6.775 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.606 -3.875 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.023 -5.053 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 25 4.560 -4.974 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.448 -4.999 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.571 -3.627 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.036 -5.059 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.901 -7.103 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.495 -7.232 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.368 -7.265 1.349 1.00 0.00 H new ATOM 417 N PRO A 26 9.737 -6.052 0.965 1.00 0.00 N ATOM 418 CA PRO A 26 11.102 -5.620 0.650 1.00 0.00 C ATOM 419 C PRO A 26 11.088 -4.437 -0.313 1.00 0.00 C ATOM 420 O PRO A 26 10.173 -4.327 -1.130 1.00 0.00 O ATOM 421 CB PRO A 26 11.733 -6.853 -0.011 1.00 0.00 C ATOM 422 CG PRO A 26 10.919 -8.002 0.481 1.00 0.00 C ATOM 423 CD PRO A 26 9.520 -7.475 0.634 1.00 0.00 C ATOM 0 HA PRO A 26 11.652 -5.285 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.700 -6.781 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.781 -6.961 0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.949 -8.833 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.303 -8.375 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.942 -7.593 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.977 -7.995 1.423 1.00 0.00 H new ATOM 431 N GLY A 27 12.095 -3.570 -0.212 1.00 0.00 N ATOM 432 CA GLY A 27 12.113 -2.307 -0.947 1.00 0.00 C ATOM 433 C GLY A 27 11.695 -2.420 -2.405 1.00 0.00 C ATOM 434 O GLY A 27 10.942 -1.578 -2.900 1.00 0.00 O ATOM 0 H GLY A 27 12.914 -3.722 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.451 -1.600 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.119 -1.889 -0.902 1.00 0.00 H new ATOM 438 N GLU A 28 12.181 -3.451 -3.090 1.00 0.00 N ATOM 439 CA GLU A 28 11.816 -3.696 -4.485 1.00 0.00 C ATOM 440 C GLU A 28 10.296 -3.782 -4.639 1.00 0.00 C ATOM 441 O GLU A 28 9.685 -3.025 -5.397 1.00 0.00 O ATOM 442 CB GLU A 28 12.456 -5.002 -4.972 1.00 0.00 C ATOM 443 CG GLU A 28 12.080 -5.380 -6.392 1.00 0.00 C ATOM 444 CD GLU A 28 11.688 -6.835 -6.526 1.00 0.00 C ATOM 445 OE1 GLU A 28 12.570 -7.712 -6.430 1.00 0.00 O ATOM 446 OE2 GLU A 28 10.493 -7.107 -6.746 1.00 0.00 O ATOM 0 H GLU A 28 12.831 -4.134 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 28 12.183 -2.864 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.540 -4.910 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.163 -5.810 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.252 -4.753 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.921 -5.172 -7.053 1.00 0.00 H new ATOM 453 N LYS A 29 9.704 -4.701 -3.895 1.00 0.00 N ATOM 454 CA LYS A 29 8.268 -4.931 -3.921 1.00 0.00 C ATOM 455 C LYS A 29 7.517 -3.725 -3.377 1.00 0.00 C ATOM 456 O LYS A 29 6.415 -3.404 -3.819 1.00 0.00 O ATOM 457 CB LYS A 29 7.955 -6.164 -3.082 1.00 0.00 C ATOM 458 CG LYS A 29 8.451 -7.465 -3.693 1.00 0.00 C ATOM 459 CD LYS A 29 7.666 -7.835 -4.945 1.00 0.00 C ATOM 460 CE LYS A 29 8.015 -9.231 -5.444 1.00 0.00 C ATOM 461 NZ LYS A 29 7.693 -10.277 -4.440 1.00 0.00 N ATOM 0 H LYS A 29 10.208 -5.312 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 29 7.947 -5.089 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.402 -6.043 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.877 -6.229 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.508 -7.371 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.366 -8.267 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.598 -7.782 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.871 -7.107 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.470 -9.433 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.077 -9.275 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.574 -10.698 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.168 -9.850 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.111 -11.016 -4.883 1.00 0.00 H new ATOM 475 N LEU A 30 8.132 -3.074 -2.411 1.00 0.00 N ATOM 476 CA LEU A 30 7.574 -1.887 -1.784 1.00 0.00 C ATOM 477 C LEU A 30 7.351 -0.774 -2.803 1.00 0.00 C ATOM 478 O LEU A 30 6.326 -0.097 -2.761 1.00 0.00 O ATOM 479 CB LEU A 30 8.511 -1.425 -0.659 1.00 0.00 C ATOM 480 CG LEU A 30 8.094 -0.156 0.076 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.606 -0.170 0.374 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.892 -0.027 1.366 1.00 0.00 C ATOM 0 H LEU A 30 9.038 -3.353 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 30 6.599 -2.133 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.598 -2.231 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.504 -1.268 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 30 8.302 0.703 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.331 0.745 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.048 -0.234 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.368 -1.031 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.592 0.881 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.700 -0.892 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.956 0.023 1.132 1.00 0.00 H new ATOM 494 N GLY A 31 8.284 -0.611 -3.736 1.00 0.00 N ATOM 495 CA GLY A 31 8.176 0.455 -4.721 1.00 0.00 C ATOM 496 C GLY A 31 6.923 0.357 -5.576 1.00 0.00 C ATOM 497 O GLY A 31 6.524 1.339 -6.203 1.00 0.00 O ATOM 0 H GLY A 31 9.114 -1.197 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.183 1.417 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.052 0.432 -5.369 1.00 0.00 H new ATOM 501 N ARG A 32 6.304 -0.820 -5.612 1.00 0.00 N ATOM 502 CA ARG A 32 5.053 -0.994 -6.340 1.00 0.00 C ATOM 503 C ARG A 32 3.909 -0.289 -5.619 1.00 0.00 C ATOM 504 O ARG A 32 3.176 0.481 -6.228 1.00 0.00 O ATOM 505 CB ARG A 32 4.718 -2.478 -6.511 1.00 0.00 C ATOM 506 CG ARG A 32 3.355 -2.744 -7.155 1.00 0.00 C ATOM 507 CD ARG A 32 3.295 -2.265 -8.601 1.00 0.00 C ATOM 508 NE ARG A 32 4.167 -3.035 -9.486 1.00 0.00 N ATOM 509 CZ ARG A 32 4.263 -2.817 -10.799 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.536 -1.861 -11.371 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.074 -3.562 -11.539 1.00 0.00 N ATOM 0 H ARG A 32 6.646 -1.662 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 32 5.180 -0.549 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.492 -2.946 -7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.746 -2.960 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.141 -3.812 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.578 -2.244 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.268 -2.333 -8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.578 -1.213 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 32 4.733 -3.779 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.904 -1.294 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.610 -1.695 -12.375 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.625 -4.302 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.147 -3.394 -12.543 1.00 0.00 H new ATOM 525 N VAL A 33 3.776 -0.533 -4.317 1.00 0.00 N ATOM 526 CA VAL A 33 2.654 0.010 -3.546 1.00 0.00 C ATOM 527 C VAL A 33 2.713 1.525 -3.478 1.00 0.00 C ATOM 528 O VAL A 33 1.713 2.185 -3.747 1.00 0.00 O ATOM 529 CB VAL A 33 2.559 -0.575 -2.119 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.299 -1.422 -1.978 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.790 -1.391 -1.767 1.00 0.00 C ATOM 0 H VAL A 33 4.427 -1.100 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 33 1.754 -0.292 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 33 2.505 0.259 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.245 -1.828 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.422 -0.804 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.329 -2.241 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.688 -1.786 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.893 -2.217 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.675 -0.756 -1.820 1.00 0.00 H new ATOM 541 N VAL A 34 3.886 2.077 -3.153 1.00 0.00 N ATOM 542 CA VAL A 34 4.067 3.538 -3.161 1.00 0.00 C ATOM 543 C VAL A 34 3.572 4.101 -4.493 1.00 0.00 C ATOM 544 O VAL A 34 2.878 5.118 -4.543 1.00 0.00 O ATOM 545 CB VAL A 34 5.555 3.958 -2.926 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.457 2.754 -2.936 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.054 4.975 -3.952 1.00 0.00 C ATOM 0 H VAL A 34 4.715 1.547 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 34 3.485 3.948 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 34 5.585 4.435 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.487 3.070 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.156 2.068 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.382 2.251 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.092 5.228 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.984 4.547 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.442 5.876 -3.899 1.00 0.00 H new ATOM 557 N HIS A 35 3.916 3.394 -5.561 1.00 0.00 N ATOM 558 CA HIS A 35 3.504 3.767 -6.910 1.00 0.00 C ATOM 559 C HIS A 35 1.992 3.619 -7.089 1.00 0.00 C ATOM 560 O HIS A 35 1.351 4.483 -7.690 1.00 0.00 O ATOM 561 CB HIS A 35 4.249 2.917 -7.942 1.00 0.00 C ATOM 562 CG HIS A 35 3.948 3.272 -9.373 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.525 4.340 -10.025 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.132 2.681 -10.279 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.077 4.390 -11.265 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.230 3.395 -11.445 1.00 0.00 N ATOM 0 H HIS A 35 4.486 2.549 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 35 3.757 4.816 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.321 3.019 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.999 1.869 -7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.518 1.808 -10.113 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.357 5.122 -12.008 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.730 3.190 -12.310 1.00 0.00 H new ATOM 575 N ILE A 36 1.433 2.523 -6.575 1.00 0.00 N ATOM 576 CA ILE A 36 -0.002 2.260 -6.689 1.00 0.00 C ATOM 577 C ILE A 36 -0.823 3.394 -6.087 1.00 0.00 C ATOM 578 O ILE A 36 -1.675 3.970 -6.764 1.00 0.00 O ATOM 579 CB ILE A 36 -0.426 0.927 -6.025 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.320 -0.254 -6.652 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.931 0.734 -6.157 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.202 -1.613 -6.232 1.00 0.00 C ATOM 0 H ILE A 36 1.953 1.802 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.201 2.185 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.166 0.969 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.258 -0.173 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.375 -0.185 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.220 -0.206 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.448 1.559 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.204 0.711 -7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.381 -2.394 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.115 -1.718 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.249 -1.706 -6.522 1.00 0.00 H new ATOM 594 N ILE A 37 -0.556 3.728 -4.826 1.00 0.00 N ATOM 595 CA ILE A 37 -1.321 4.770 -4.150 1.00 0.00 C ATOM 596 C ILE A 37 -1.218 6.095 -4.900 1.00 0.00 C ATOM 597 O ILE A 37 -2.228 6.721 -5.198 1.00 0.00 O ATOM 598 CB ILE A 37 -0.878 4.994 -2.687 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.995 3.709 -1.870 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.742 6.071 -2.062 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.330 3.157 -1.408 1.00 0.00 C ATOM 0 H ILE A 37 0.175 3.298 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.353 4.419 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 37 0.167 5.303 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.622 3.900 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.503 2.954 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.432 6.232 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.630 6.999 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.786 5.758 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.164 2.245 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.953 2.933 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.832 3.894 -0.781 1.00 0.00 H new ATOM 613 N GLN A 38 0.006 6.504 -5.210 1.00 0.00 N ATOM 614 CA GLN A 38 0.251 7.757 -5.935 1.00 0.00 C ATOM 615 C GLN A 38 -0.466 7.785 -7.287 1.00 0.00 C ATOM 616 O GLN A 38 -0.863 8.848 -7.770 1.00 0.00 O ATOM 617 CB GLN A 38 1.754 7.971 -6.160 1.00 0.00 C ATOM 618 CG GLN A 38 2.554 8.194 -4.877 1.00 0.00 C ATOM 619 CD GLN A 38 3.884 8.908 -5.157 1.00 0.00 C ATOM 620 OE1 GLN A 38 4.416 8.802 -6.264 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.466 9.602 -4.170 1.00 0.00 N ATOM 0 H GLN A 38 0.852 5.987 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.147 8.561 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.159 7.104 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.893 8.831 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.963 8.785 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.749 7.235 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.009 9.677 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.366 10.055 -4.327 1.00 0.00 H new ATOM 630 N SER A 39 -0.616 6.620 -7.899 1.00 0.00 N ATOM 631 CA SER A 39 -1.284 6.516 -9.186 1.00 0.00 C ATOM 632 C SER A 39 -2.797 6.631 -9.017 1.00 0.00 C ATOM 633 O SER A 39 -3.450 7.411 -9.714 1.00 0.00 O ATOM 634 CB SER A 39 -0.914 5.194 -9.869 1.00 0.00 C ATOM 635 OG SER A 39 -1.648 4.992 -11.066 1.00 0.00 O ATOM 0 H SER A 39 -0.283 5.732 -7.524 1.00 0.00 H new ATOM 0 HA SER A 39 -0.950 7.338 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.153 5.187 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.102 4.367 -9.184 1.00 0.00 H new ATOM 0 HG SER A 39 -1.383 4.140 -11.472 1.00 0.00 H new ATOM 641 N ARG A 40 -3.344 5.877 -8.073 1.00 0.00 N ATOM 642 CA ARG A 40 -4.787 5.839 -7.867 1.00 0.00 C ATOM 643 C ARG A 40 -5.270 7.105 -7.169 1.00 0.00 C ATOM 644 O ARG A 40 -6.365 7.599 -7.444 1.00 0.00 O ATOM 645 CB ARG A 40 -5.176 4.608 -7.049 1.00 0.00 C ATOM 646 CG ARG A 40 -4.600 3.310 -7.595 1.00 0.00 C ATOM 647 CD ARG A 40 -5.349 2.104 -7.082 1.00 0.00 C ATOM 648 NE ARG A 40 -6.770 2.147 -7.412 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.429 1.134 -7.968 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.791 0.020 -8.294 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.725 1.239 -8.206 1.00 0.00 N ATOM 0 H ARG A 40 -2.811 5.283 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.267 5.780 -8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.838 4.743 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.263 4.530 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.638 3.325 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.550 3.232 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.909 1.200 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.232 2.041 -6.000 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.287 3.002 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.790 -0.064 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.301 -0.754 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.220 2.097 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.230 0.462 -8.632 1.00 0.00 H new ATOM 665 N GLU A 41 -4.450 7.620 -6.263 1.00 0.00 N ATOM 666 CA GLU A 41 -4.753 8.854 -5.551 1.00 0.00 C ATOM 667 C GLU A 41 -3.776 9.959 -5.981 1.00 0.00 C ATOM 668 O GLU A 41 -2.789 10.221 -5.293 1.00 0.00 O ATOM 669 CB GLU A 41 -4.644 8.644 -4.036 1.00 0.00 C ATOM 670 CG GLU A 41 -5.320 7.386 -3.505 1.00 0.00 C ATOM 671 CD GLU A 41 -6.782 7.278 -3.878 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.594 8.094 -3.392 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.133 6.366 -4.645 1.00 0.00 O ATOM 0 H GLU A 41 -3.560 7.196 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.773 9.149 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.589 8.612 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.076 9.509 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.791 6.512 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.229 7.366 -2.419 1.00 0.00 H new ATOM 680 N PRO A 42 -4.039 10.622 -7.124 1.00 0.00 N ATOM 681 CA PRO A 42 -3.134 11.640 -7.690 1.00 0.00 C ATOM 682 C PRO A 42 -2.858 12.807 -6.741 1.00 0.00 C ATOM 683 O PRO A 42 -1.819 13.462 -6.838 1.00 0.00 O ATOM 684 CB PRO A 42 -3.885 12.143 -8.928 1.00 0.00 C ATOM 685 CG PRO A 42 -4.845 11.057 -9.268 1.00 0.00 C ATOM 686 CD PRO A 42 -5.230 10.430 -7.962 1.00 0.00 C ATOM 0 HA PRO A 42 -2.153 11.214 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.405 13.078 -8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.200 12.336 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.719 11.455 -9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.388 10.325 -9.934 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.107 10.911 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.472 9.374 -8.080 1.00 0.00 H new ATOM 694 N SER A 43 -3.784 13.055 -5.821 1.00 0.00 N ATOM 695 CA SER A 43 -3.666 14.166 -4.885 1.00 0.00 C ATOM 696 C SER A 43 -2.384 14.078 -4.052 1.00 0.00 C ATOM 697 O SER A 43 -1.790 15.099 -3.705 1.00 0.00 O ATOM 698 CB SER A 43 -4.884 14.197 -3.961 1.00 0.00 C ATOM 699 OG SER A 43 -6.082 14.386 -4.699 1.00 0.00 O ATOM 0 H SER A 43 -4.630 12.497 -5.704 1.00 0.00 H new ATOM 0 HA SER A 43 -3.620 15.086 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.942 13.264 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.771 15.000 -3.233 1.00 0.00 H new ATOM 0 HG SER A 43 -6.846 14.400 -4.085 1.00 0.00 H new ATOM 705 N LEU A 44 -1.946 12.862 -3.757 1.00 0.00 N ATOM 706 CA LEU A 44 -0.782 12.667 -2.902 1.00 0.00 C ATOM 707 C LEU A 44 0.460 12.327 -3.717 1.00 0.00 C ATOM 708 O LEU A 44 1.463 11.863 -3.171 1.00 0.00 O ATOM 709 CB LEU A 44 -1.057 11.591 -1.840 1.00 0.00 C ATOM 710 CG LEU A 44 -1.548 10.235 -2.353 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.380 9.338 -2.727 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.426 9.568 -1.306 1.00 0.00 C ATOM 0 H LEU A 44 -2.375 12.000 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.588 13.609 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.140 11.430 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.799 11.981 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.141 10.401 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.757 8.381 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.209 9.815 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.247 9.173 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.770 8.604 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.852 9.418 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.286 10.203 -1.094 1.00 0.00 H new ATOM 724 N LYS A 45 0.418 12.608 -5.013 1.00 0.00 N ATOM 725 CA LYS A 45 1.570 12.325 -5.872 1.00 0.00 C ATOM 726 C LYS A 45 2.552 13.510 -5.818 1.00 0.00 C ATOM 727 O LYS A 45 3.597 13.510 -6.469 1.00 0.00 O ATOM 728 CB LYS A 45 1.159 11.921 -7.327 1.00 0.00 C ATOM 729 CG LYS A 45 2.327 11.780 -8.296 1.00 0.00 C ATOM 730 CD LYS A 45 1.856 11.480 -9.704 1.00 0.00 C ATOM 731 CE LYS A 45 1.423 12.754 -10.398 1.00 0.00 C ATOM 732 NZ LYS A 45 2.580 13.522 -10.933 1.00 0.00 N ATOM 0 H LYS A 45 -0.383 13.024 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 45 2.084 11.444 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.618 10.975 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.468 12.668 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.912 12.700 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.987 10.982 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.658 11.005 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.026 10.774 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.743 12.509 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.868 13.377 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.237 14.386 -11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.217 13.780 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.096 12.938 -11.622 1.00 0.00 H new ATOM 746 N ASN A 46 2.232 14.512 -4.989 1.00 0.00 N ATOM 747 CA ASN A 46 3.110 15.662 -4.819 1.00 0.00 C ATOM 748 C ASN A 46 4.082 15.381 -3.684 1.00 0.00 C ATOM 749 O ASN A 46 5.050 16.111 -3.470 1.00 0.00 O ATOM 750 CB ASN A 46 2.301 16.925 -4.513 1.00 0.00 C ATOM 751 CG ASN A 46 1.322 17.283 -5.613 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.554 17.003 -6.788 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.220 17.914 -5.241 1.00 0.00 N ATOM 0 H ASN A 46 1.378 14.544 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 46 3.659 15.829 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.755 16.783 -3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.985 17.759 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.473 18.185 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.063 18.129 -4.256 1.00 0.00 H new ATOM 760 N SER A 47 3.797 14.311 -2.956 1.00 0.00 N ATOM 761 CA SER A 47 4.644 13.862 -1.868 1.00 0.00 C ATOM 762 C SER A 47 5.967 13.350 -2.422 1.00 0.00 C ATOM 763 O SER A 47 5.983 12.698 -3.469 1.00 0.00 O ATOM 764 CB SER A 47 3.929 12.746 -1.107 1.00 0.00 C ATOM 765 OG SER A 47 2.593 13.121 -0.812 1.00 0.00 O ATOM 0 H SER A 47 2.971 13.732 -3.106 1.00 0.00 H new ATOM 0 HA SER A 47 4.845 14.693 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.933 11.832 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.464 12.528 -0.183 1.00 0.00 H new ATOM 0 HG SER A 47 1.999 12.801 -1.522 1.00 0.00 H new ATOM 771 N ASN A 48 7.069 13.659 -1.739 1.00 0.00 N ATOM 772 CA ASN A 48 8.380 13.167 -2.157 1.00 0.00 C ATOM 773 C ASN A 48 8.328 11.649 -2.236 1.00 0.00 C ATOM 774 O ASN A 48 8.024 10.993 -1.242 1.00 0.00 O ATOM 775 CB ASN A 48 9.486 13.578 -1.173 1.00 0.00 C ATOM 776 CG ASN A 48 9.535 15.065 -0.895 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.169 15.886 -1.733 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.007 15.420 0.291 1.00 0.00 N ATOM 0 H ASN A 48 7.080 14.242 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 48 8.615 13.604 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.339 13.047 -0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.450 13.260 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.077 16.407 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.300 14.706 0.958 1.00 0.00 H new ATOM 785 N PRO A 49 8.604 11.065 -3.413 1.00 0.00 N ATOM 786 CA PRO A 49 8.462 9.624 -3.624 1.00 0.00 C ATOM 787 C PRO A 49 9.346 8.783 -2.712 1.00 0.00 C ATOM 788 O PRO A 49 9.146 7.580 -2.612 1.00 0.00 O ATOM 789 CB PRO A 49 8.853 9.408 -5.087 1.00 0.00 C ATOM 790 CG PRO A 49 9.571 10.648 -5.503 1.00 0.00 C ATOM 791 CD PRO A 49 9.058 11.761 -4.627 1.00 0.00 C ATOM 0 HA PRO A 49 7.446 9.306 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.491 8.531 -5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.972 9.240 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.648 10.529 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.387 10.867 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.839 12.488 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.244 12.305 -5.106 1.00 0.00 H new ATOM 799 N ASP A 50 10.312 9.404 -2.044 1.00 0.00 N ATOM 800 CA ASP A 50 11.170 8.685 -1.106 1.00 0.00 C ATOM 801 C ASP A 50 10.543 8.633 0.287 1.00 0.00 C ATOM 802 O ASP A 50 10.744 7.676 1.036 1.00 0.00 O ATOM 803 CB ASP A 50 12.562 9.317 -1.044 1.00 0.00 C ATOM 804 CG ASP A 50 13.307 9.187 -2.357 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.095 8.183 -3.065 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.106 10.093 -2.690 1.00 0.00 O ATOM 0 H ASP A 50 10.521 10.398 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 50 11.273 7.663 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.469 10.371 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.140 8.842 -0.251 1.00 0.00 H new ATOM 811 N GLU A 51 9.737 9.637 0.590 1.00 0.00 N ATOM 812 CA GLU A 51 9.052 9.757 1.874 1.00 0.00 C ATOM 813 C GLU A 51 7.580 10.025 1.609 1.00 0.00 C ATOM 814 O GLU A 51 7.052 11.074 1.983 1.00 0.00 O ATOM 815 CB GLU A 51 9.645 10.910 2.698 1.00 0.00 C ATOM 816 CG GLU A 51 10.758 10.486 3.638 1.00 0.00 C ATOM 817 CD GLU A 51 11.402 11.661 4.341 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.930 12.045 5.428 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.389 12.211 3.811 1.00 0.00 O ATOM 0 H GLU A 51 9.535 10.402 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 51 9.176 8.834 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.028 11.670 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.849 11.375 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.358 9.797 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.517 9.943 3.075 1.00 0.00 H new ATOM 826 N ILE A 52 6.925 9.082 0.948 1.00 0.00 N ATOM 827 CA ILE A 52 5.600 9.325 0.400 1.00 0.00 C ATOM 828 C ILE A 52 4.556 9.493 1.502 1.00 0.00 C ATOM 829 O ILE A 52 4.683 8.930 2.589 1.00 0.00 O ATOM 830 CB ILE A 52 5.167 8.206 -0.575 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.457 7.088 0.151 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.371 7.640 -1.302 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.479 6.367 -0.739 1.00 0.00 C ATOM 0 H ILE A 52 7.289 8.144 0.779 1.00 0.00 H new ATOM 0 HA ILE A 52 5.663 10.259 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 52 4.479 8.650 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.192 6.379 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.930 7.494 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.048 6.854 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.860 8.433 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.072 7.226 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.992 5.571 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.727 7.070 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.009 5.937 -1.589 1.00 0.00 H new ATOM 845 N GLU A 53 3.531 10.274 1.200 1.00 0.00 N ATOM 846 CA GLU A 53 2.496 10.612 2.156 1.00 0.00 C ATOM 847 C GLU A 53 1.208 9.871 1.805 1.00 0.00 C ATOM 848 O GLU A 53 0.569 10.176 0.796 1.00 0.00 O ATOM 849 CB GLU A 53 2.262 12.121 2.095 1.00 0.00 C ATOM 850 CG GLU A 53 2.090 12.809 3.437 1.00 0.00 C ATOM 851 CD GLU A 53 1.073 12.145 4.334 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.137 12.298 4.088 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.493 11.495 5.312 1.00 0.00 O ATOM 0 H GLU A 53 3.396 10.692 0.279 1.00 0.00 H new ATOM 0 HA GLU A 53 2.801 10.321 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.103 12.581 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.373 12.309 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.052 12.833 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.792 13.844 3.269 1.00 0.00 H new ATOM 860 N ILE A 54 0.842 8.887 2.613 1.00 0.00 N ATOM 861 CA ILE A 54 -0.395 8.146 2.386 1.00 0.00 C ATOM 862 C ILE A 54 -1.438 8.524 3.426 1.00 0.00 C ATOM 863 O ILE A 54 -1.136 8.600 4.619 1.00 0.00 O ATOM 864 CB ILE A 54 -0.192 6.617 2.439 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.813 6.151 1.393 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.515 5.903 2.220 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.101 4.669 1.470 1.00 0.00 C ATOM 0 H ILE A 54 1.377 8.583 3.426 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.731 8.415 1.384 1.00 0.00 H new ATOM 0 HB ILE A 54 0.199 6.372 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.433 6.391 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.744 6.704 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.358 4.825 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.220 6.196 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.918 6.175 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.823 4.398 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.509 4.428 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.178 4.110 1.314 1.00 0.00 H new ATOM 879 N ASP A 55 -2.667 8.742 2.981 1.00 0.00 N ATOM 880 CA ASP A 55 -3.752 9.055 3.897 1.00 0.00 C ATOM 881 C ASP A 55 -4.793 7.956 3.813 1.00 0.00 C ATOM 882 O ASP A 55 -5.741 8.041 3.030 1.00 0.00 O ATOM 883 CB ASP A 55 -4.376 10.411 3.562 1.00 0.00 C ATOM 884 CG ASP A 55 -5.313 10.919 4.648 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.869 10.097 5.410 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.502 12.151 4.736 1.00 0.00 O ATOM 0 H ASP A 55 -2.936 8.708 1.998 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.361 9.115 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.582 11.141 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.926 10.330 2.624 1.00 0.00 H new ATOM 891 N PHE A 56 -4.610 6.925 4.625 1.00 0.00 N ATOM 892 CA PHE A 56 -5.410 5.710 4.531 1.00 0.00 C ATOM 893 C PHE A 56 -6.901 5.962 4.738 1.00 0.00 C ATOM 894 O PHE A 56 -7.726 5.138 4.360 1.00 0.00 O ATOM 895 CB PHE A 56 -4.899 4.665 5.518 1.00 0.00 C ATOM 896 CG PHE A 56 -4.080 3.601 4.851 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.716 3.751 4.662 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.688 2.453 4.393 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.980 2.766 4.024 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.964 1.470 3.759 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.610 1.622 3.571 1.00 0.00 C ATOM 0 H PHE A 56 -3.907 6.905 5.364 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.298 5.334 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.298 5.156 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.746 4.203 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.222 4.644 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.751 2.322 4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.917 2.892 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.460 0.577 3.408 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.042 0.851 3.072 1.00 0.00 H new ATOM 911 N GLU A 57 -7.246 7.108 5.301 1.00 0.00 N ATOM 912 CA GLU A 57 -8.636 7.441 5.553 1.00 0.00 C ATOM 913 C GLU A 57 -9.256 8.201 4.387 1.00 0.00 C ATOM 914 O GLU A 57 -10.376 8.705 4.487 1.00 0.00 O ATOM 915 CB GLU A 57 -8.736 8.259 6.831 1.00 0.00 C ATOM 916 CG GLU A 57 -8.422 7.451 8.069 1.00 0.00 C ATOM 917 CD GLU A 57 -9.408 6.321 8.270 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.184 5.225 7.717 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.416 6.522 8.973 1.00 0.00 O ATOM 0 H GLU A 57 -6.580 7.824 5.592 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.194 6.512 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.050 9.104 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.742 8.670 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.414 7.044 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.435 8.104 8.942 1.00 0.00 H new ATOM 926 N THR A 58 -8.528 8.294 3.281 1.00 0.00 N ATOM 927 CA THR A 58 -9.040 8.982 2.103 1.00 0.00 C ATOM 928 C THR A 58 -8.866 8.160 0.828 1.00 0.00 C ATOM 929 O THR A 58 -9.498 8.455 -0.186 1.00 0.00 O ATOM 930 CB THR A 58 -8.370 10.355 1.915 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.945 10.208 1.870 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.748 11.290 3.049 1.00 0.00 C ATOM 0 H THR A 58 -7.591 7.906 3.175 1.00 0.00 H new ATOM 0 HA THR A 58 -10.106 9.122 2.279 1.00 0.00 H new ATOM 0 HB THR A 58 -8.718 10.780 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.698 9.314 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.266 12.256 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.830 11.423 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.421 10.863 3.997 1.00 0.00 H new ATOM 940 N LEU A 59 -8.020 7.131 0.881 1.00 0.00 N ATOM 941 CA LEU A 59 -7.770 6.290 -0.296 1.00 0.00 C ATOM 942 C LEU A 59 -9.078 5.656 -0.754 1.00 0.00 C ATOM 943 O LEU A 59 -9.951 5.354 0.066 1.00 0.00 O ATOM 944 CB LEU A 59 -6.761 5.167 0.000 1.00 0.00 C ATOM 945 CG LEU A 59 -5.593 5.530 0.921 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.633 4.354 1.061 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.868 6.777 0.426 1.00 0.00 C ATOM 0 H LEU A 59 -7.500 6.859 1.715 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.353 6.931 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.300 4.331 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.353 4.815 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.998 5.756 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.810 4.632 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.163 3.500 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.239 4.087 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.044 7.010 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.478 6.597 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.564 7.616 0.400 1.00 0.00 H new ATOM 959 N LYS A 60 -9.224 5.472 -2.054 1.00 0.00 N ATOM 960 CA LYS A 60 -10.403 4.820 -2.599 1.00 0.00 C ATOM 961 C LYS A 60 -10.438 3.356 -2.167 1.00 0.00 C ATOM 962 O LYS A 60 -9.384 2.740 -2.000 1.00 0.00 O ATOM 963 CB LYS A 60 -10.394 4.938 -4.124 1.00 0.00 C ATOM 964 CG LYS A 60 -10.285 6.372 -4.617 1.00 0.00 C ATOM 965 CD LYS A 60 -10.253 6.451 -6.130 1.00 0.00 C ATOM 966 CE LYS A 60 -9.982 7.871 -6.595 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.650 8.357 -6.144 1.00 0.00 N ATOM 0 H LYS A 60 -8.541 5.765 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.299 5.309 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.559 4.361 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.307 4.493 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.130 6.950 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.382 6.827 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.482 5.785 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.204 6.107 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.035 7.913 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.759 8.533 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.445 9.273 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.653 8.470 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.919 7.668 -6.415 1.00 0.00 H new ATOM 981 N PRO A 61 -11.633 2.784 -1.951 1.00 0.00 N ATOM 982 CA PRO A 61 -11.768 1.395 -1.496 1.00 0.00 C ATOM 983 C PRO A 61 -10.983 0.422 -2.373 1.00 0.00 C ATOM 984 O PRO A 61 -10.315 -0.488 -1.871 1.00 0.00 O ATOM 985 CB PRO A 61 -13.271 1.117 -1.600 1.00 0.00 C ATOM 986 CG PRO A 61 -13.937 2.456 -1.591 1.00 0.00 C ATOM 987 CD PRO A 61 -12.937 3.453 -2.120 1.00 0.00 C ATOM 0 HA PRO A 61 -11.372 1.260 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.505 0.571 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.614 0.505 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.834 2.444 -2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.250 2.723 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.129 3.693 -3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.978 4.391 -1.566 1.00 0.00 H new ATOM 995 N SER A 62 -11.043 0.639 -3.680 1.00 0.00 N ATOM 996 CA SER A 62 -10.343 -0.207 -4.629 1.00 0.00 C ATOM 997 C SER A 62 -8.829 -0.029 -4.509 1.00 0.00 C ATOM 998 O SER A 62 -8.071 -0.975 -4.721 1.00 0.00 O ATOM 999 CB SER A 62 -10.826 0.103 -6.045 1.00 0.00 C ATOM 1000 OG SER A 62 -11.004 1.500 -6.223 1.00 0.00 O ATOM 0 H SER A 62 -11.573 1.399 -4.106 1.00 0.00 H new ATOM 0 HA SER A 62 -10.565 -1.250 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.104 -0.271 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.766 -0.415 -6.235 1.00 0.00 H new ATOM 0 HG SER A 62 -11.312 1.677 -7.136 1.00 0.00 H new ATOM 1006 N THR A 63 -8.395 1.177 -4.146 1.00 0.00 N ATOM 1007 CA THR A 63 -6.983 1.437 -3.900 1.00 0.00 C ATOM 1008 C THR A 63 -6.504 0.564 -2.750 1.00 0.00 C ATOM 1009 O THR A 63 -5.504 -0.136 -2.871 1.00 0.00 O ATOM 1010 CB THR A 63 -6.723 2.932 -3.576 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.429 3.746 -4.526 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.240 3.261 -3.637 1.00 0.00 C ATOM 0 H THR A 63 -9.002 1.986 -4.017 1.00 0.00 H new ATOM 0 HA THR A 63 -6.428 1.196 -4.807 1.00 0.00 H new ATOM 0 HB THR A 63 -7.075 3.133 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.332 4.691 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.091 4.316 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.702 2.651 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.862 3.053 -4.638 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.263 0.570 -1.658 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.948 -0.252 -0.492 1.00 0.00 C ATOM 1022 C LEU A 64 -6.850 -1.722 -0.864 1.00 0.00 C ATOM 1023 O LEU A 64 -5.936 -2.420 -0.435 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.014 -0.074 0.596 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.997 1.269 1.325 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.183 1.390 2.270 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.711 1.424 2.104 1.00 0.00 C ATOM 0 H LEU A 64 -8.104 1.137 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.981 0.078 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.996 -0.208 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.892 -0.868 1.332 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.065 2.059 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.148 2.355 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.110 1.312 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.142 0.590 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.711 2.385 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.630 0.620 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.864 1.379 1.420 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.768 -2.187 -1.688 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.817 -3.597 -2.013 1.00 0.00 C ATOM 1041 C ARG A 65 -6.799 -3.962 -3.083 1.00 0.00 C ATOM 1042 O ARG A 65 -6.484 -5.133 -3.255 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.227 -4.020 -2.411 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.981 -4.699 -1.279 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.209 -5.891 -0.736 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.017 -6.927 -1.747 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.400 -8.085 -1.523 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.865 -8.345 -0.336 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -8.312 -8.981 -2.496 1.00 0.00 N ATOM 0 H ARG A 65 -8.482 -1.616 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.548 -4.152 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.785 -3.143 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.171 -4.698 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.159 -3.983 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.957 -5.027 -1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.238 -5.557 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.743 -6.311 0.116 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.379 -6.752 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.925 -7.655 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.394 -9.235 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.716 -8.781 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.840 -9.870 -2.330 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.262 -2.970 -3.783 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.176 -3.228 -4.705 1.00 0.00 C ATOM 1065 C GLU A 66 -3.865 -3.268 -3.932 1.00 0.00 C ATOM 1066 O GLU A 66 -2.982 -4.079 -4.220 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.143 -2.175 -5.815 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.944 -2.312 -6.740 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.157 -1.648 -8.083 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.058 -0.410 -8.175 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.433 -2.364 -9.066 1.00 0.00 O ATOM 0 H GLU A 66 -6.559 -1.996 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.328 -4.194 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.057 -2.249 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.134 -1.183 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.069 -1.875 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.729 -3.369 -6.893 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.780 -2.429 -2.906 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.627 -2.390 -2.034 1.00 0.00 C ATOM 1080 C LEU A 67 -2.545 -3.710 -1.281 1.00 0.00 C ATOM 1081 O LEU A 67 -1.530 -4.403 -1.320 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.768 -1.220 -1.048 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.951 0.149 -1.700 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.095 1.232 -0.645 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.794 0.452 -2.632 1.00 0.00 C ATOM 0 H LEU A 67 -4.510 -1.760 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.717 -2.245 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.620 -1.413 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.882 -1.189 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.868 0.130 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.224 2.199 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.964 1.020 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.200 1.255 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.941 1.431 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.862 0.451 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.746 -0.308 -3.412 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.661 -4.075 -0.654 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.731 -5.288 0.155 1.00 0.00 C ATOM 1099 C GLU A 68 -3.584 -6.542 -0.697 1.00 0.00 C ATOM 1100 O GLU A 68 -2.808 -7.437 -0.358 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.048 -5.365 0.926 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.197 -6.658 1.734 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.472 -6.696 2.546 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.543 -6.969 1.962 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.411 -6.478 3.771 1.00 0.00 O ATOM 0 H GLU A 68 -4.532 -3.545 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.901 -5.239 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.117 -4.512 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.878 -5.285 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.178 -7.510 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.342 -6.764 2.402 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.326 -6.618 -1.803 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.322 -7.839 -2.608 1.00 0.00 C ATOM 1114 C ARG A 69 -2.924 -8.128 -3.129 1.00 0.00 C ATOM 1115 O ARG A 69 -2.523 -9.286 -3.287 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.288 -7.740 -3.781 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.515 -9.070 -4.476 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.067 -8.877 -5.878 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.124 -8.179 -6.752 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.486 -7.450 -7.805 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.771 -7.315 -8.115 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.562 -6.858 -8.552 1.00 0.00 N ATOM 0 H ARG A 69 -4.923 -5.869 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.647 -8.654 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.244 -7.354 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.902 -7.020 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.576 -9.621 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.208 -9.674 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.308 -9.849 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.998 -8.312 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.129 -8.256 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.484 -7.771 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.045 -6.755 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.574 -6.962 -8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.840 -6.299 -9.359 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.179 -7.068 -3.375 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.839 -7.191 -3.915 1.00 0.00 C ATOM 1138 C TYR A 70 0.159 -7.593 -2.832 1.00 0.00 C ATOM 1139 O TYR A 70 0.987 -8.481 -3.037 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.420 -5.881 -4.584 1.00 0.00 C ATOM 1141 CG TYR A 70 1.064 -5.776 -4.825 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.669 -6.374 -5.922 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.855 -5.077 -3.936 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.032 -6.276 -6.121 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.218 -4.972 -4.122 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.803 -5.574 -5.218 1.00 0.00 C ATOM 1147 OH TYR A 70 5.163 -5.477 -5.411 1.00 0.00 O ATOM 0 H TYR A 70 -2.481 -6.108 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.843 -7.981 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.942 -5.785 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.739 -5.046 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.066 -6.923 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.399 -4.604 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.491 -6.746 -6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.823 -4.423 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 70 5.534 -4.813 -4.794 1.00 0.00 H new ATOM 1157 N VAL A 71 0.077 -6.951 -1.678 1.00 0.00 N ATOM 1158 CA VAL A 71 1.014 -7.224 -0.596 1.00 0.00 C ATOM 1159 C VAL A 71 0.809 -8.616 -0.022 1.00 0.00 C ATOM 1160 O VAL A 71 1.774 -9.340 0.195 1.00 0.00 O ATOM 1161 CB VAL A 71 0.909 -6.192 0.534 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.257 -4.811 0.032 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.472 -6.198 1.149 1.00 0.00 C ATOM 0 H VAL A 71 -0.624 -6.241 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 71 2.010 -7.158 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 71 1.626 -6.469 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.176 -4.095 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.277 -4.810 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.569 -4.530 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.518 -5.457 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.211 -5.956 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.684 -7.186 1.558 1.00 0.00 H new ATOM 1173 N THR A 72 -0.445 -8.994 0.212 1.00 0.00 N ATOM 1174 CA THR A 72 -0.757 -10.308 0.755 1.00 0.00 C ATOM 1175 C THR A 72 -0.278 -11.404 -0.201 1.00 0.00 C ATOM 1176 O THR A 72 0.072 -12.504 0.218 1.00 0.00 O ATOM 1177 CB THR A 72 -2.265 -10.448 1.064 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.494 -11.576 1.913 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.080 -10.595 -0.203 1.00 0.00 C ATOM 0 H THR A 72 -1.260 -8.407 0.033 1.00 0.00 H new ATOM 0 HA THR A 72 -0.226 -10.422 1.700 1.00 0.00 H new ATOM 0 HB THR A 72 -2.582 -9.537 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.452 -11.653 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.135 -10.691 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.937 -9.716 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.755 -11.484 -0.744 1.00 0.00 H new ATOM 1187 N SER A 73 -0.218 -11.064 -1.483 1.00 0.00 N ATOM 1188 CA SER A 73 0.339 -11.941 -2.499 1.00 0.00 C ATOM 1189 C SER A 73 1.824 -12.189 -2.228 1.00 0.00 C ATOM 1190 O SER A 73 2.358 -13.261 -2.512 1.00 0.00 O ATOM 1191 CB SER A 73 0.166 -11.287 -3.869 1.00 0.00 C ATOM 1192 OG SER A 73 0.487 -12.173 -4.926 1.00 0.00 O ATOM 0 H SER A 73 -0.555 -10.172 -1.845 1.00 0.00 H new ATOM 0 HA SER A 73 -0.183 -12.898 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.864 -10.948 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.801 -10.403 -3.931 1.00 0.00 H new ATOM 0 HG SER A 73 0.362 -11.717 -5.784 1.00 0.00 H new ATOM 1198 N CYS A 74 2.474 -11.178 -1.672 1.00 0.00 N ATOM 1199 CA CYS A 74 3.902 -11.226 -1.392 1.00 0.00 C ATOM 1200 C CYS A 74 4.178 -11.809 -0.002 1.00 0.00 C ATOM 1201 O CYS A 74 5.042 -12.666 0.157 1.00 0.00 O ATOM 1202 CB CYS A 74 4.491 -9.818 -1.506 1.00 0.00 C ATOM 1203 SG CYS A 74 6.282 -9.736 -1.270 1.00 0.00 S ATOM 0 H CYS A 74 2.027 -10.302 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 74 4.377 -11.880 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.247 -9.414 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.010 -9.175 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 74 6.683 -10.789 -0.622 1.00 0.00 H new ATOM 1209 N LEU A 75 3.448 -11.334 1.005 1.00 0.00 N ATOM 1210 CA LEU A 75 3.591 -11.832 2.376 1.00 0.00 C ATOM 1211 C LEU A 75 3.347 -13.341 2.449 1.00 0.00 C ATOM 1212 O LEU A 75 3.869 -14.021 3.332 1.00 0.00 O ATOM 1213 CB LEU A 75 2.602 -11.125 3.304 1.00 0.00 C ATOM 1214 CG LEU A 75 2.353 -9.660 2.995 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.175 -9.161 3.803 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.594 -8.846 3.292 1.00 0.00 C ATOM 0 H LEU A 75 2.747 -10.601 0.898 1.00 0.00 H new ATOM 0 HA LEU A 75 4.613 -11.624 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.650 -11.654 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.969 -11.206 4.327 1.00 0.00 H new ATOM 0 HG LEU A 75 2.120 -9.549 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.999 -8.109 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.287 -9.740 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.389 -9.274 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.403 -7.797 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.853 -8.949 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.420 -9.205 2.678 1.00 0.00 H new ATOM 1228 N ARG A 76 2.547 -13.856 1.523 1.00 0.00 N ATOM 1229 CA ARG A 76 2.201 -15.273 1.508 1.00 0.00 C ATOM 1230 C ARG A 76 3.128 -16.076 0.596 1.00 0.00 C ATOM 1231 O ARG A 76 2.941 -17.280 0.414 1.00 0.00 O ATOM 1232 CB ARG A 76 0.744 -15.451 1.071 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.269 -15.056 2.129 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.663 -14.962 1.537 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.682 -14.680 2.549 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.930 -14.309 2.266 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.320 -14.179 1.003 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.788 -14.064 3.248 1.00 0.00 N ATOM 0 H ARG A 76 2.124 -13.312 0.771 1.00 0.00 H new ATOM 0 HA ARG A 76 2.326 -15.656 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.569 -14.856 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.582 -16.494 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.261 -15.788 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.010 -14.097 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.681 -14.178 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.905 -15.898 1.033 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.421 -14.773 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.663 -14.363 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.276 -13.895 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.492 -14.160 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.743 -13.780 3.031 1.00 0.00 H new ATOM 1252 N LYS A 77 4.130 -15.413 0.035 1.00 0.00 N ATOM 1253 CA LYS A 77 5.076 -16.070 -0.868 1.00 0.00 C ATOM 1254 C LYS A 77 6.506 -15.607 -0.606 1.00 0.00 C ATOM 1255 O LYS A 77 6.852 -14.454 -0.853 1.00 0.00 O ATOM 1256 CB LYS A 77 4.696 -15.803 -2.324 1.00 0.00 C ATOM 1257 CG LYS A 77 3.504 -16.620 -2.782 1.00 0.00 C ATOM 1258 CD LYS A 77 2.963 -16.130 -4.115 1.00 0.00 C ATOM 1259 CE LYS A 77 1.767 -16.948 -4.572 1.00 0.00 C ATOM 1260 NZ LYS A 77 0.638 -16.877 -3.607 1.00 0.00 N ATOM 0 H LYS A 77 4.312 -14.421 0.187 1.00 0.00 H new ATOM 0 HA LYS A 77 5.027 -17.142 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.473 -14.743 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.550 -16.025 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.793 -17.667 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.717 -16.569 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.675 -15.082 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.749 -16.183 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.434 -16.589 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.068 -17.988 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.222 -17.258 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.869 -17.436 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.477 -15.887 -3.334 1.00 0.00 H new ATOM 1274 N LYS A 78 7.340 -16.510 -0.105 1.00 0.00 N ATOM 1275 CA LYS A 78 8.721 -16.175 0.216 1.00 0.00 C ATOM 1276 C LYS A 78 9.691 -16.769 -0.801 1.00 0.00 C ATOM 1277 O LYS A 78 9.276 -17.399 -1.776 1.00 0.00 O ATOM 1278 CB LYS A 78 9.087 -16.654 1.626 1.00 0.00 C ATOM 1279 CG LYS A 78 8.728 -15.671 2.732 1.00 0.00 C ATOM 1280 CD LYS A 78 7.229 -15.487 2.873 1.00 0.00 C ATOM 1281 CE LYS A 78 6.896 -14.451 3.934 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.482 -14.797 5.256 1.00 0.00 N ATOM 0 H LYS A 78 7.084 -17.478 0.087 1.00 0.00 H new ATOM 0 HA LYS A 78 8.807 -15.089 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.582 -17.601 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.158 -16.851 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.139 -16.025 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.192 -14.707 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.807 -15.179 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.767 -16.439 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.267 -13.476 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.814 -14.365 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.057 -14.197 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.289 -15.796 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.510 -14.640 5.232 1.00 0.00 H new ATOM 1296 N ARG A 79 10.984 -16.560 -0.549 1.00 0.00 N ATOM 1297 CA ARG A 79 12.060 -17.038 -1.420 1.00 0.00 C ATOM 1298 C ARG A 79 11.980 -16.393 -2.796 1.00 0.00 C ATOM 1299 O ARG A 79 12.193 -17.046 -3.816 1.00 0.00 O ATOM 1300 CB ARG A 79 12.058 -18.568 -1.552 1.00 0.00 C ATOM 1301 CG ARG A 79 12.613 -19.300 -0.339 1.00 0.00 C ATOM 1302 CD ARG A 79 11.671 -19.230 0.848 1.00 0.00 C ATOM 1303 NE ARG A 79 12.261 -19.800 2.054 1.00 0.00 N ATOM 1304 CZ ARG A 79 11.596 -19.996 3.189 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.289 -19.762 3.248 1.00 0.00 N ATOM 1306 NH2 ARG A 79 12.239 -20.448 4.258 1.00 0.00 N ATOM 0 H ARG A 79 11.317 -16.051 0.270 1.00 0.00 H new ATOM 0 HA ARG A 79 12.999 -16.745 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.037 -18.905 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.642 -18.846 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.794 -20.343 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.575 -18.868 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.401 -18.191 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.750 -19.761 0.610 1.00 0.00 H new ATOM 0 HE ARG A 79 13.246 -20.065 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.792 -19.431 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.783 -19.914 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.239 -20.643 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.734 -20.600 5.131 1.00 0.00 H new ATOM 1320 N LYS A 80 11.679 -15.104 -2.814 1.00 0.00 N ATOM 1321 CA LYS A 80 11.589 -14.350 -4.060 1.00 0.00 C ATOM 1322 C LYS A 80 12.298 -13.004 -3.923 1.00 0.00 C ATOM 1323 O LYS A 80 11.652 -11.957 -3.913 1.00 0.00 O ATOM 1324 CB LYS A 80 10.121 -14.124 -4.448 1.00 0.00 C ATOM 1325 CG LYS A 80 9.359 -15.397 -4.781 1.00 0.00 C ATOM 1326 CD LYS A 80 9.905 -16.064 -6.034 1.00 0.00 C ATOM 1327 CE LYS A 80 9.118 -17.315 -6.392 1.00 0.00 C ATOM 1328 NZ LYS A 80 7.678 -17.021 -6.614 1.00 0.00 N ATOM 0 H LYS A 80 11.492 -14.553 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 80 12.077 -14.930 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.615 -13.615 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.083 -13.456 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.423 -16.090 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.304 -15.164 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.869 -15.361 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.952 -16.324 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.539 -17.764 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.219 -18.049 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.233 -17.819 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.208 -16.878 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.584 -16.160 -7.190 1.00 0.00 H new ATOM 1342 N PRO A 81 13.637 -13.007 -3.812 1.00 0.00 N ATOM 1343 CA PRO A 81 14.410 -11.774 -3.662 1.00 0.00 C ATOM 1344 C PRO A 81 14.573 -11.034 -4.987 1.00 0.00 C ATOM 1345 O PRO A 81 14.050 -11.473 -6.015 1.00 0.00 O ATOM 1346 CB PRO A 81 15.761 -12.274 -3.155 1.00 0.00 C ATOM 1347 CG PRO A 81 15.900 -13.629 -3.759 1.00 0.00 C ATOM 1348 CD PRO A 81 14.507 -14.201 -3.829 1.00 0.00 C ATOM 0 HA PRO A 81 13.927 -11.059 -2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.572 -11.615 -3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.786 -12.319 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.347 -13.569 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.551 -14.260 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.361 -14.790 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.301 -14.859 -2.984 1.00 0.00 H new ATOM 1356 N GLN A 82 15.290 -9.918 -4.967 1.00 0.00 N ATOM 1357 CA GLN A 82 15.544 -9.159 -6.191 1.00 0.00 C ATOM 1358 C GLN A 82 16.324 -10.020 -7.176 1.00 0.00 C ATOM 1359 O GLN A 82 15.903 -10.230 -8.316 1.00 0.00 O ATOM 1360 CB GLN A 82 16.328 -7.882 -5.874 1.00 0.00 C ATOM 1361 CG GLN A 82 16.681 -7.061 -7.105 1.00 0.00 C ATOM 1362 CD GLN A 82 17.469 -5.811 -6.770 1.00 0.00 C ATOM 1363 OE1 GLN A 82 16.899 -4.746 -6.534 1.00 0.00 O ATOM 1364 NE2 GLN A 82 18.787 -5.932 -6.738 1.00 0.00 N ATOM 0 H GLN A 82 15.704 -9.518 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 82 14.590 -8.878 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.741 -7.266 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.246 -8.150 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.260 -7.677 -7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.765 -6.779 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.222 -6.832 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.368 -5.125 -6.512 1.00 0.00 H new ATOM 1373 N ALA A 83 17.443 -10.545 -6.709 1.00 0.00 N ATOM 1374 CA ALA A 83 18.287 -11.402 -7.517 1.00 0.00 C ATOM 1375 C ALA A 83 18.667 -12.645 -6.732 1.00 0.00 C ATOM 1376 O ALA A 83 18.133 -13.728 -7.034 1.00 0.00 O ATOM 1377 CB ALA A 83 19.529 -10.654 -7.968 1.00 0.00 C ATOM 1378 OXT ALA A 83 19.470 -12.524 -5.785 1.00 0.00 O ATOM 0 H ALA A 83 17.790 -10.389 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 83 17.732 -11.705 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.151 -11.313 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.237 -9.786 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.092 -10.325 -7.095 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.170 7.338 13.433 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.735 7.925 12.144 1.00 0.00 C ATOM 1387 C GLU B 201 -4.657 7.060 11.511 1.00 0.00 C ATOM 1388 O GLU B 201 -3.554 6.947 12.046 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.188 9.342 12.349 1.00 0.00 C ATOM 1390 CG GLU B 201 -6.111 10.244 13.147 1.00 0.00 C ATOM 1391 CD GLU B 201 -7.536 10.192 12.654 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -7.856 10.877 11.664 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.344 9.459 13.258 1.00 0.00 O ATOM 0 HA GLU B 201 -6.602 7.971 11.485 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -4.226 9.280 12.858 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.005 9.795 11.375 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -6.082 9.951 14.197 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -5.748 11.270 13.092 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.970 6.445 10.382 1.00 0.00 N ATOM 1403 CA ILE B 202 -4.007 5.595 9.702 1.00 0.00 C ATOM 1404 C ILE B 202 -3.266 6.381 8.626 1.00 0.00 C ATOM 1405 O ILE B 202 -3.881 7.048 7.787 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.673 4.350 9.075 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.573 3.642 10.095 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.616 3.387 8.562 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.897 3.362 11.425 1.00 0.00 C ATOM 0 H ILE B 202 -5.876 6.518 9.920 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.297 5.251 10.454 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.289 4.680 8.239 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.458 4.254 10.270 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.917 2.700 9.668 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -4.101 2.515 8.123 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -3.008 3.883 7.806 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.980 3.071 9.389 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.599 2.860 12.091 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -4.029 2.723 11.264 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -4.578 4.302 11.876 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.946 6.302 8.666 1.00 0.00 N ATOM 1422 CA LYS B 203 -1.093 7.043 7.750 1.00 0.00 C ATOM 1423 C LYS B 203 0.191 6.257 7.500 1.00 0.00 C ATOM 1424 O LYS B 203 0.644 5.520 8.376 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.771 8.418 8.347 1.00 0.00 C ATOM 1426 CG LYS B 203 0.191 9.249 7.513 1.00 0.00 C ATOM 1427 CD LYS B 203 0.494 10.602 8.151 1.00 0.00 C ATOM 1428 CE LYS B 203 1.491 10.505 9.304 1.00 0.00 C ATOM 1429 NZ LYS B 203 0.899 9.931 10.543 1.00 0.00 N ATOM 0 H LYS B 203 -1.436 5.723 9.333 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.609 7.185 6.800 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -1.700 8.974 8.472 1.00 0.00 H new ATOM 0 HB3 LYS B 203 -0.346 8.280 9.341 1.00 0.00 H new ATOM 0 HG2 LYS B 203 1.121 8.697 7.379 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -0.233 9.405 6.521 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.889 11.276 7.391 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.434 11.042 8.516 1.00 0.00 H new ATOM 0 HE2 LYS B 203 2.336 9.891 8.994 1.00 0.00 H new ATOM 0 HE3 LYS B 203 1.882 11.499 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 1.271 10.436 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -0.136 10.032 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 1.147 8.923 10.612 1.00 0.00 H new ATOM 1443 N LEU B 204 0.773 6.404 6.320 1.00 0.00 N ATOM 1444 CA LEU B 204 2.006 5.700 6.005 1.00 0.00 C ATOM 1445 C LEU B 204 2.993 6.612 5.290 1.00 0.00 C ATOM 1446 O LEU B 204 2.729 7.090 4.187 1.00 0.00 O ATOM 1447 CB LEU B 204 1.726 4.474 5.131 1.00 0.00 C ATOM 1448 CG LEU B 204 2.330 3.152 5.621 1.00 0.00 C ATOM 1449 CD1 LEU B 204 2.004 2.033 4.648 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.838 3.265 5.795 1.00 0.00 C ATOM 0 H LEU B 204 0.416 6.998 5.572 1.00 0.00 H new ATOM 0 HA LEU B 204 2.444 5.376 6.949 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.646 4.350 5.048 1.00 0.00 H new ATOM 0 HB3 LEU B 204 2.102 4.673 4.127 1.00 0.00 H new ATOM 0 HG LEU B 204 1.891 2.923 6.592 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.438 1.100 5.007 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.922 1.923 4.569 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.417 2.271 3.668 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.237 2.312 6.143 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.296 3.523 4.840 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.063 4.041 6.527 1.00 0.00 H new ATOM 1462 N LYS B 205 4.113 6.867 5.941 1.00 0.00 N ATOM 1463 CA LYS B 205 5.244 7.521 5.303 1.00 0.00 C ATOM 1464 C LYS B 205 6.231 6.465 4.832 1.00 0.00 C ATOM 1465 O LYS B 205 7.263 6.247 5.473 1.00 0.00 O ATOM 1466 CB LYS B 205 5.945 8.474 6.276 1.00 0.00 C ATOM 1467 CG LYS B 205 5.289 9.838 6.417 1.00 0.00 C ATOM 1468 CD LYS B 205 5.354 10.622 5.117 1.00 0.00 C ATOM 1469 CE LYS B 205 5.169 12.110 5.353 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.956 12.404 6.163 1.00 0.00 N ATOM 0 H LYS B 205 4.266 6.629 6.921 1.00 0.00 H new ATOM 0 HA LYS B 205 4.879 8.101 4.455 1.00 0.00 H new ATOM 0 HB2 LYS B 205 5.986 8.003 7.258 1.00 0.00 H new ATOM 0 HB3 LYS B 205 6.975 8.614 5.947 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.248 9.714 6.717 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.784 10.401 7.208 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.315 10.446 4.633 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.583 10.262 4.435 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.048 12.508 5.860 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.096 12.622 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.765 13.426 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.142 11.892 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.112 12.100 7.145 1.00 0.00 H new ATOM 1484 N ILE B 206 5.916 5.790 3.729 1.00 0.00 N ATOM 1485 CA ILE B 206 6.761 4.699 3.265 1.00 0.00 C ATOM 1486 C ILE B 206 8.127 5.232 2.837 1.00 0.00 C ATOM 1487 O ILE B 206 8.247 5.911 1.811 1.00 0.00 O ATOM 1488 CB ILE B 206 6.184 3.907 2.069 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.682 3.689 2.145 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.841 2.547 2.047 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.079 3.311 0.807 1.00 0.00 C ATOM 0 H ILE B 206 5.097 5.976 3.151 1.00 0.00 H new ATOM 0 HA ILE B 206 6.830 4.021 4.116 1.00 0.00 H new ATOM 0 HB ILE B 206 6.384 4.495 1.173 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.469 2.904 2.870 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.205 4.598 2.510 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.450 1.968 1.211 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.919 2.665 1.934 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.629 2.025 2.980 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.004 3.167 0.920 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.265 4.107 0.086 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.533 2.386 0.451 1.00 0.00 H new ATOM 1503 N THR B 207 9.147 4.924 3.617 1.00 0.00 N ATOM 1504 CA THR B 207 10.503 5.321 3.289 1.00 0.00 C ATOM 1505 C THR B 207 11.190 4.243 2.458 1.00 0.00 C ATOM 1506 O THR B 207 11.345 3.105 2.905 1.00 0.00 O ATOM 1507 CB THR B 207 11.322 5.611 4.561 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.089 4.587 5.536 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.958 6.965 5.147 1.00 0.00 C ATOM 0 H THR B 207 9.061 4.397 4.486 1.00 0.00 H new ATOM 0 HA THR B 207 10.448 6.238 2.702 1.00 0.00 H new ATOM 0 HB THR B 207 12.378 5.624 4.289 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.075 3.712 5.095 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.551 7.144 6.044 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.163 7.746 4.414 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.899 6.978 5.404 1.00 0.00 H new ATOM 1517 N LYS B 208 11.583 4.609 1.243 1.00 0.00 N ATOM 1518 CA LYS B 208 12.228 3.682 0.317 1.00 0.00 C ATOM 1519 C LYS B 208 12.599 4.426 -0.962 1.00 0.00 C ATOM 1520 O LYS B 208 12.655 5.652 -0.948 1.00 0.00 O ATOM 1521 CB LYS B 208 11.328 2.465 -0.001 1.00 0.00 C ATOM 1522 CG LYS B 208 10.207 2.724 -1.004 1.00 0.00 C ATOM 1523 CD LYS B 208 9.024 3.456 -0.398 1.00 0.00 C ATOM 1524 CE LYS B 208 8.732 4.753 -1.126 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.773 5.778 -0.883 1.00 0.00 N ATOM 0 H LYS B 208 11.465 5.552 0.872 1.00 0.00 H new ATOM 0 HA LYS B 208 13.130 3.294 0.791 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.956 1.660 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.885 2.109 0.929 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.600 3.307 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.867 1.773 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.144 2.814 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.226 3.666 0.652 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.659 4.558 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.764 5.138 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.406 6.715 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 10.031 5.779 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.614 5.561 -1.455 1.00 0.00 H new ATOM 1539 N THR B 209 12.838 3.679 -2.047 1.00 0.00 N ATOM 1540 CA THR B 209 13.173 4.236 -3.368 1.00 0.00 C ATOM 1541 C THR B 209 14.388 5.161 -3.310 1.00 0.00 C ATOM 1542 O THR B 209 14.566 6.028 -4.167 1.00 0.00 O ATOM 1543 CB THR B 209 11.985 4.980 -4.047 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.434 5.981 -3.184 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.884 4.009 -4.458 1.00 0.00 C ATOM 0 H THR B 209 12.804 2.660 -2.035 1.00 0.00 H new ATOM 0 HA THR B 209 13.413 3.369 -3.983 1.00 0.00 H new ATOM 0 HB THR B 209 12.384 5.462 -4.939 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.995 6.784 -3.215 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.070 4.560 -4.929 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.285 3.281 -5.164 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.509 3.490 -3.576 1.00 0.00 H new ATOM 1553 N ILE B 210 15.245 4.941 -2.320 1.00 0.00 N ATOM 1554 CA ILE B 210 16.442 5.751 -2.149 1.00 0.00 C ATOM 1555 C ILE B 210 17.571 5.231 -3.031 1.00 0.00 C ATOM 1556 O ILE B 210 18.725 5.642 -2.888 1.00 0.00 O ATOM 1557 CB ILE B 210 16.907 5.773 -0.679 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.129 4.346 -0.165 1.00 0.00 C ATOM 1559 CG2 ILE B 210 15.893 6.510 0.184 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.698 4.282 1.235 1.00 0.00 C ATOM 0 H ILE B 210 15.131 4.206 -1.622 1.00 0.00 H new ATOM 0 HA ILE B 210 16.189 6.769 -2.445 1.00 0.00 H new ATOM 0 HB ILE B 210 17.857 6.305 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE B 210 16.180 3.811 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.803 3.826 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.234 6.518 1.219 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.789 7.535 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE B 210 14.929 6.006 0.123 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.827 3.240 1.528 1.00 0.00 H new ATOM 0 HD12 ILE B 210 18.663 4.788 1.259 1.00 0.00 H new ATOM 0 HD13 ILE B 210 17.014 4.772 1.928 1.00 0.00 H new ATOM 1572 N GLN B 211 17.211 4.321 -3.938 1.00 0.00 N ATOM 1573 CA GLN B 211 18.146 3.720 -4.883 1.00 0.00 C ATOM 1574 C GLN B 211 19.144 2.812 -4.170 1.00 0.00 C ATOM 1575 O GLN B 211 19.128 2.692 -2.942 1.00 0.00 O ATOM 1576 CB GLN B 211 18.862 4.804 -5.695 1.00 0.00 C ATOM 1577 CG GLN B 211 17.919 5.599 -6.585 1.00 0.00 C ATOM 1578 CD GLN B 211 18.587 6.777 -7.261 1.00 0.00 C ATOM 1579 OE1 GLN B 211 19.505 7.389 -6.717 1.00 0.00 O ATOM 1580 NE2 GLN B 211 18.125 7.104 -8.454 1.00 0.00 N ATOM 0 H GLN B 211 16.255 3.980 -4.036 1.00 0.00 H new ATOM 0 HA GLN B 211 17.577 3.099 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN B 211 19.370 5.486 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN B 211 19.631 4.340 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN B 211 17.505 4.938 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN B 211 17.082 5.959 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN B 211 17.362 6.570 -8.869 1.00 0.00 H new ATOM 0 HE22 GLN B 211 18.531 7.891 -8.960 1.00 0.00 H new ATOM 1589 N ASN B 212 19.989 2.151 -4.940 1.00 0.00 N ATOM 1590 CA ASN B 212 20.978 1.240 -4.385 1.00 0.00 C ATOM 1591 C ASN B 212 22.378 1.770 -4.636 1.00 0.00 C ATOM 1592 O ASN B 212 22.960 1.436 -5.686 1.00 0.00 O ATOM 1593 CB ASN B 212 20.829 -0.159 -4.994 1.00 0.00 C ATOM 1594 CG ASN B 212 19.548 -0.850 -4.569 1.00 0.00 C ATOM 1595 OD1 ASN B 212 19.056 -0.646 -3.458 1.00 0.00 O ATOM 1596 ND2 ASN B 212 18.989 -1.664 -5.449 1.00 0.00 N ATOM 1597 OXT ASN B 212 22.883 2.542 -3.791 1.00 0.00 O ATOM 0 H ASN B 212 20.011 2.228 -5.957 1.00 0.00 H new ATOM 0 HA ASN B 212 20.813 1.168 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN B 212 20.852 -0.082 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN B 212 21.682 -0.771 -4.700 1.00 0.00 H new ATOM 0 HD21 ASN B 212 18.121 -2.147 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN B 212 19.426 -1.808 -6.359 1.00 0.00 H new TER 1604 ASN B 212