USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.722 K(o=2.1,f=-7.4!) USER MOD Set 1.2: A 85 TYR OH : rot 146:sc= 1.34 USER MOD Set 2.1: A 3 SER OG : rot -67:sc= 1.08 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.758 K(o=1.8,f=1.2) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 2.13 (180deg=0.531) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.783) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0.818 K(o=0.82,f=-4.8!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0.7 (180deg=0.534) USER MOD Single : A 32 THR OG1 : rot 111:sc= 1.28 USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.244 USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0.488 (180deg=0.487) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 50 SER OG : rot -41:sc= 1.59 USER MOD Single : A 51 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 53 TYR OH : rot -148:sc= 0.545 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 1.65 (180deg=1.51) USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= 1.55 (180deg=0.0425) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 79 MET CE :methyl -165:sc= -0.0504 (180deg=-0.5) USER MOD Single : A 81 THR OG1 : rot -0:sc= 0.275 USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.15) USER MOD Single : A 90 LYS NZ :NH3+ -133:sc= 0.416 (180deg=0.00595) USER MOD Single : A 98 SER OG : rot 143:sc= 1.12 USER MOD Single : A 99 GLN : amide:sc= -0.0133! C(o=-0.013!,f=-5.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc=-0.00394 (180deg=-0.082) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.44 K(o=0.44,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.681 -9.718 2.375 1.00 0.00 N ATOM 2 CA GLY A 1 -2.729 -10.728 2.845 1.00 0.00 C ATOM 3 C GLY A 1 -2.062 -10.202 4.103 1.00 0.00 C ATOM 4 O GLY A 1 -2.486 -9.151 4.576 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.565 -10.183 2.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.879 -9.044 3.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.275 -9.210 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.242 -11.667 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.983 -10.934 2.077 1.00 0.00 H new ATOM 10 N GLY A 2 -1.046 -10.889 4.635 1.00 0.00 N ATOM 11 CA GLY A 2 -0.299 -10.376 5.781 1.00 0.00 C ATOM 12 C GLY A 2 0.330 -9.032 5.405 1.00 0.00 C ATOM 13 O GLY A 2 0.379 -8.098 6.202 1.00 0.00 O ATOM 0 H GLY A 2 -0.726 -11.795 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.961 -10.255 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.475 -11.085 6.074 1.00 0.00 H new ATOM 17 N SER A 3 0.787 -8.943 4.154 1.00 0.00 N ATOM 18 CA SER A 3 1.387 -7.778 3.537 1.00 0.00 C ATOM 19 C SER A 3 0.376 -6.643 3.322 1.00 0.00 C ATOM 20 O SER A 3 -0.008 -6.330 2.193 1.00 0.00 O ATOM 21 CB SER A 3 1.968 -8.249 2.213 1.00 0.00 C ATOM 22 OG SER A 3 2.723 -9.426 2.417 1.00 0.00 O ATOM 0 H SER A 3 0.741 -9.735 3.513 1.00 0.00 H new ATOM 0 HA SER A 3 2.156 -7.361 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.166 -8.439 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.599 -7.470 1.784 1.00 0.00 H new ATOM 0 HG SER A 3 3.514 -9.218 2.957 1.00 0.00 H new ATOM 28 N VAL A 4 -0.047 -6.055 4.435 1.00 0.00 N ATOM 29 CA VAL A 4 -0.902 -4.894 4.564 1.00 0.00 C ATOM 30 C VAL A 4 -0.132 -4.042 5.574 1.00 0.00 C ATOM 31 O VAL A 4 -0.239 -4.273 6.775 1.00 0.00 O ATOM 32 CB VAL A 4 -2.304 -5.333 5.038 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.081 -4.156 5.640 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.095 -5.992 3.890 1.00 0.00 C ATOM 0 H VAL A 4 0.228 -6.416 5.349 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.096 -4.340 3.645 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.171 -6.077 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.064 -4.497 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.534 -3.758 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.198 -3.375 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.079 -6.292 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.210 -5.281 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.556 -6.870 3.534 1.00 0.00 H new ATOM 44 N ILE A 5 0.726 -3.136 5.090 1.00 0.00 N ATOM 45 CA ILE A 5 1.643 -2.383 5.942 1.00 0.00 C ATOM 46 C ILE A 5 1.713 -0.904 5.559 1.00 0.00 C ATOM 47 O ILE A 5 1.113 -0.470 4.576 1.00 0.00 O ATOM 48 CB ILE A 5 3.041 -3.044 5.885 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.512 -3.430 4.469 1.00 0.00 C ATOM 50 CG2 ILE A 5 3.047 -4.324 6.734 1.00 0.00 C ATOM 51 CD1 ILE A 5 3.504 -2.286 3.450 1.00 0.00 C ATOM 0 H ILE A 5 0.801 -2.907 4.099 1.00 0.00 H new ATOM 0 HA ILE A 5 1.266 -2.412 6.964 1.00 0.00 H new ATOM 0 HB ILE A 5 3.726 -2.286 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.524 -3.830 4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.875 -4.233 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.034 -4.785 6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.808 -4.076 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.303 -5.021 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.851 -2.656 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.491 -1.898 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.165 -1.489 3.792 1.00 0.00 H new ATOM 63 N VAL A 6 2.473 -0.138 6.352 1.00 0.00 N ATOM 64 CA VAL A 6 2.717 1.287 6.171 1.00 0.00 C ATOM 65 C VAL A 6 4.221 1.589 6.163 1.00 0.00 C ATOM 66 O VAL A 6 4.646 2.712 6.427 1.00 0.00 O ATOM 67 CB VAL A 6 1.975 2.084 7.263 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.460 1.856 7.188 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.457 1.735 8.680 1.00 0.00 C ATOM 0 H VAL A 6 2.952 -0.516 7.169 1.00 0.00 H new ATOM 0 HA VAL A 6 2.328 1.597 5.201 1.00 0.00 H new ATOM 0 HB VAL A 6 2.202 3.132 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.034 2.432 7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.091 2.178 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.244 0.796 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.901 2.325 9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.292 0.674 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.520 1.958 8.768 1.00 0.00 H new ATOM 79 N ILE A 7 5.045 0.584 5.858 1.00 0.00 N ATOM 80 CA ILE A 7 6.489 0.764 5.796 1.00 0.00 C ATOM 81 C ILE A 7 6.826 1.357 4.426 1.00 0.00 C ATOM 82 O ILE A 7 7.261 0.658 3.517 1.00 0.00 O ATOM 83 CB ILE A 7 7.230 -0.544 6.160 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.739 -0.253 6.259 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.985 -1.714 5.194 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.511 -1.425 6.874 1.00 0.00 C ATOM 0 H ILE A 7 4.731 -0.364 5.650 1.00 0.00 H new ATOM 0 HA ILE A 7 6.844 1.471 6.546 1.00 0.00 H new ATOM 0 HB ILE A 7 6.822 -0.871 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.133 -0.041 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.897 0.641 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.545 -2.587 5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.921 -1.951 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.315 -1.435 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.571 -1.176 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.136 -1.621 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.376 -2.313 6.257 1.00 0.00 H new ATOM 98 N ASP A 8 6.605 2.666 4.289 1.00 0.00 N ATOM 99 CA ASP A 8 6.856 3.466 3.096 1.00 0.00 C ATOM 100 C ASP A 8 8.362 3.625 2.892 1.00 0.00 C ATOM 101 O ASP A 8 8.920 4.718 2.973 1.00 0.00 O ATOM 102 CB ASP A 8 6.175 4.834 3.232 1.00 0.00 C ATOM 103 CG ASP A 8 4.676 4.787 2.971 1.00 0.00 C ATOM 104 OD1 ASP A 8 3.951 4.281 3.853 1.00 0.00 O ATOM 105 OD2 ASP A 8 4.279 5.274 1.889 1.00 0.00 O ATOM 0 H ASP A 8 6.224 3.225 5.053 1.00 0.00 H new ATOM 0 HA ASP A 8 6.439 2.962 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.350 5.222 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.637 5.533 2.535 1.00 0.00 H new ATOM 110 N SER A 9 9.035 2.510 2.644 1.00 0.00 N ATOM 111 CA SER A 9 10.466 2.430 2.416 1.00 0.00 C ATOM 112 C SER A 9 10.776 1.212 1.545 1.00 0.00 C ATOM 113 O SER A 9 9.922 0.347 1.356 1.00 0.00 O ATOM 114 CB SER A 9 11.190 2.356 3.766 1.00 0.00 C ATOM 115 OG SER A 9 10.876 3.484 4.562 1.00 0.00 O ATOM 0 H SER A 9 8.577 1.600 2.595 1.00 0.00 H new ATOM 0 HA SER A 9 10.816 3.318 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.903 1.444 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.267 2.306 3.605 1.00 0.00 H new ATOM 0 HG SER A 9 11.345 3.420 5.420 1.00 0.00 H new ATOM 121 N LYS A 10 12.014 1.147 1.042 1.00 0.00 N ATOM 122 CA LYS A 10 12.557 0.089 0.191 1.00 0.00 C ATOM 123 C LYS A 10 12.092 -1.308 0.628 1.00 0.00 C ATOM 124 O LYS A 10 11.717 -2.131 -0.204 1.00 0.00 O ATOM 125 CB LYS A 10 14.089 0.225 0.235 1.00 0.00 C ATOM 126 CG LYS A 10 14.826 -0.910 -0.481 1.00 0.00 C ATOM 127 CD LYS A 10 16.317 -0.570 -0.615 1.00 0.00 C ATOM 128 CE LYS A 10 17.137 -1.780 -1.080 1.00 0.00 C ATOM 129 NZ LYS A 10 16.645 -2.326 -2.358 1.00 0.00 N ATOM 0 H LYS A 10 12.702 1.876 1.231 1.00 0.00 H new ATOM 0 HA LYS A 10 12.190 0.200 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.374 1.175 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.413 0.258 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.706 -1.840 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.392 -1.070 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.441 0.248 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.698 -0.220 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.182 -1.489 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.101 -2.557 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.381 -2.924 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.792 -2.896 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.415 -1.544 -3.004 1.00 0.00 H new ATOM 143 N ALA A 11 12.096 -1.550 1.943 1.00 0.00 N ATOM 144 CA ALA A 11 11.666 -2.800 2.557 1.00 0.00 C ATOM 145 C ALA A 11 10.343 -3.306 1.967 1.00 0.00 C ATOM 146 O ALA A 11 10.176 -4.503 1.744 1.00 0.00 O ATOM 147 CB ALA A 11 11.521 -2.582 4.064 1.00 0.00 C ATOM 0 H ALA A 11 12.408 -0.859 2.625 1.00 0.00 H new ATOM 0 HA ALA A 11 12.418 -3.562 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.199 -3.510 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.480 -2.276 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.780 -1.805 4.250 1.00 0.00 H new ATOM 153 N ALA A 12 9.384 -2.408 1.722 1.00 0.00 N ATOM 154 CA ALA A 12 8.116 -2.812 1.140 1.00 0.00 C ATOM 155 C ALA A 12 8.335 -3.322 -0.285 1.00 0.00 C ATOM 156 O ALA A 12 7.895 -4.415 -0.645 1.00 0.00 O ATOM 157 CB ALA A 12 7.130 -1.641 1.146 1.00 0.00 C ATOM 0 H ALA A 12 9.466 -1.410 1.917 1.00 0.00 H new ATOM 0 HA ALA A 12 7.693 -3.618 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.185 -1.959 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.961 -1.313 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.541 -0.816 0.564 1.00 0.00 H new ATOM 163 N TRP A 13 9.035 -2.514 -1.082 1.00 0.00 N ATOM 164 CA TRP A 13 9.287 -2.779 -2.486 1.00 0.00 C ATOM 165 C TRP A 13 9.917 -4.152 -2.710 1.00 0.00 C ATOM 166 O TRP A 13 9.569 -4.815 -3.682 1.00 0.00 O ATOM 167 CB TRP A 13 10.181 -1.678 -3.066 1.00 0.00 C ATOM 168 CG TRP A 13 10.346 -1.759 -4.550 1.00 0.00 C ATOM 169 CD1 TRP A 13 11.367 -2.358 -5.203 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.428 -1.304 -5.585 1.00 0.00 C ATOM 171 NE1 TRP A 13 11.156 -2.299 -6.563 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.967 -1.664 -6.852 1.00 0.00 C ATOM 173 CE3 TRP A 13 8.187 -0.632 -5.581 1.00 0.00 C ATOM 174 CZ2 TRP A 13 9.313 -1.374 -8.055 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.536 -0.306 -6.785 1.00 0.00 C ATOM 176 CH2 TRP A 13 8.097 -0.674 -8.022 1.00 0.00 C ATOM 0 H TRP A 13 9.448 -1.640 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 13 8.327 -2.781 -3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.760 -0.706 -2.808 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.163 -1.734 -2.596 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.222 -2.816 -4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.795 -2.675 -7.263 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.730 -0.364 -4.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.739 -1.685 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.599 0.231 -6.760 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.594 -0.419 -8.943 1.00 0.00 H new ATOM 187 N ASP A 14 10.855 -4.566 -1.849 1.00 0.00 N ATOM 188 CA ASP A 14 11.535 -5.851 -2.001 1.00 0.00 C ATOM 189 C ASP A 14 11.069 -6.894 -0.992 1.00 0.00 C ATOM 190 O ASP A 14 10.407 -7.862 -1.355 1.00 0.00 O ATOM 191 CB ASP A 14 13.061 -5.676 -1.943 1.00 0.00 C ATOM 192 CG ASP A 14 13.596 -4.625 -0.976 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.276 -4.718 0.228 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.340 -3.750 -1.468 1.00 0.00 O ATOM 0 H ASP A 14 11.158 -4.025 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 14 11.263 -6.229 -2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.503 -6.637 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.413 -5.427 -2.944 1.00 0.00 H new ATOM 199 N ALA A 15 11.464 -6.728 0.264 1.00 0.00 N ATOM 200 CA ALA A 15 11.217 -7.706 1.315 1.00 0.00 C ATOM 201 C ALA A 15 9.737 -8.075 1.414 1.00 0.00 C ATOM 202 O ALA A 15 9.383 -9.251 1.320 1.00 0.00 O ATOM 203 CB ALA A 15 11.766 -7.201 2.655 1.00 0.00 C ATOM 0 H ALA A 15 11.970 -5.902 0.584 1.00 0.00 H new ATOM 0 HA ALA A 15 11.748 -8.621 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.574 -7.943 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.840 -7.036 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.275 -6.264 2.920 1.00 0.00 H new ATOM 209 N GLN A 16 8.873 -7.075 1.594 1.00 0.00 N ATOM 210 CA GLN A 16 7.442 -7.329 1.724 1.00 0.00 C ATOM 211 C GLN A 16 6.920 -7.973 0.435 1.00 0.00 C ATOM 212 O GLN A 16 6.248 -9.002 0.494 1.00 0.00 O ATOM 213 CB GLN A 16 6.683 -6.045 2.074 1.00 0.00 C ATOM 214 CG GLN A 16 5.251 -6.333 2.538 1.00 0.00 C ATOM 215 CD GLN A 16 5.189 -7.088 3.861 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.682 -8.202 3.922 1.00 0.00 O ATOM 217 NE2 GLN A 16 5.697 -6.493 4.936 1.00 0.00 N ATOM 0 H GLN A 16 9.138 -6.092 1.652 1.00 0.00 H new ATOM 0 HA GLN A 16 7.272 -8.023 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.218 -5.510 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.657 -5.390 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.712 -5.391 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.737 -6.913 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.113 -5.565 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.671 -6.964 5.840 1.00 0.00 H new ATOM 226 N LEU A 17 7.234 -7.374 -0.721 1.00 0.00 N ATOM 227 CA LEU A 17 6.845 -7.910 -2.024 1.00 0.00 C ATOM 228 C LEU A 17 7.156 -9.407 -2.110 1.00 0.00 C ATOM 229 O LEU A 17 6.290 -10.203 -2.470 1.00 0.00 O ATOM 230 CB LEU A 17 7.565 -7.124 -3.135 1.00 0.00 C ATOM 231 CG LEU A 17 7.343 -7.679 -4.554 1.00 0.00 C ATOM 232 CD1 LEU A 17 5.860 -7.702 -4.928 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.097 -6.813 -5.571 1.00 0.00 C ATOM 0 H LEU A 17 7.765 -6.505 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 17 5.769 -7.795 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.228 -6.088 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.634 -7.117 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 17 7.718 -8.702 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.745 -8.100 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.317 -8.333 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.459 -6.689 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.938 -7.208 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.727 -5.789 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.162 -6.826 -5.341 1.00 0.00 H new ATOM 245 N ALA A 18 8.385 -9.790 -1.760 1.00 0.00 N ATOM 246 CA ALA A 18 8.826 -11.173 -1.798 1.00 0.00 C ATOM 247 C ALA A 18 7.944 -12.059 -0.912 1.00 0.00 C ATOM 248 O ALA A 18 7.333 -13.004 -1.412 1.00 0.00 O ATOM 249 CB ALA A 18 10.294 -11.243 -1.376 1.00 0.00 C ATOM 0 H ALA A 18 9.103 -9.139 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 18 8.733 -11.553 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.631 -12.279 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.898 -10.647 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.401 -10.853 -0.364 1.00 0.00 H new ATOM 255 N LYS A 19 7.847 -11.761 0.392 1.00 0.00 N ATOM 256 CA LYS A 19 7.037 -12.600 1.279 1.00 0.00 C ATOM 257 C LYS A 19 5.557 -12.589 0.870 1.00 0.00 C ATOM 258 O LYS A 19 4.823 -13.501 1.242 1.00 0.00 O ATOM 259 CB LYS A 19 7.225 -12.233 2.757 1.00 0.00 C ATOM 260 CG LYS A 19 6.824 -10.798 3.103 1.00 0.00 C ATOM 261 CD LYS A 19 6.910 -10.523 4.610 1.00 0.00 C ATOM 262 CE LYS A 19 5.735 -11.148 5.372 1.00 0.00 C ATOM 263 NZ LYS A 19 5.761 -10.775 6.796 1.00 0.00 N ATOM 0 H LYS A 19 8.305 -10.969 0.843 1.00 0.00 H new ATOM 0 HA LYS A 19 7.397 -13.622 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.638 -12.919 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.271 -12.381 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.472 -10.102 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.807 -10.613 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.848 -10.920 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.924 -9.447 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.795 -10.822 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.774 -12.233 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.954 -11.213 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.648 -11.107 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.700 -9.741 6.885 1.00 0.00 H new ATOM 277 N GLY A 20 5.114 -11.593 0.095 1.00 0.00 N ATOM 278 CA GLY A 20 3.763 -11.548 -0.435 1.00 0.00 C ATOM 279 C GLY A 20 3.468 -12.700 -1.410 1.00 0.00 C ATOM 280 O GLY A 20 2.305 -12.896 -1.756 1.00 0.00 O ATOM 0 H GLY A 20 5.690 -10.797 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.052 -11.585 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.609 -10.597 -0.945 1.00 0.00 H new ATOM 284 N LYS A 21 4.488 -13.448 -1.863 1.00 0.00 N ATOM 285 CA LYS A 21 4.347 -14.582 -2.778 1.00 0.00 C ATOM 286 C LYS A 21 3.662 -14.127 -4.066 1.00 0.00 C ATOM 287 O LYS A 21 2.561 -14.565 -4.404 1.00 0.00 O ATOM 288 CB LYS A 21 3.600 -15.748 -2.111 1.00 0.00 C ATOM 289 CG LYS A 21 4.374 -16.281 -0.902 1.00 0.00 C ATOM 290 CD LYS A 21 3.617 -17.447 -0.256 1.00 0.00 C ATOM 291 CE LYS A 21 4.375 -17.949 0.978 1.00 0.00 C ATOM 292 NZ LYS A 21 3.662 -19.062 1.628 1.00 0.00 N ATOM 0 H LYS A 21 5.456 -13.272 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 21 5.339 -14.954 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.611 -15.417 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.452 -16.550 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.365 -16.610 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.517 -15.483 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.615 -17.127 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.500 -18.258 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.373 -18.275 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.501 -17.131 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.199 -19.380 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.719 -18.742 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.564 -19.850 0.957 1.00 0.00 H new ATOM 306 N GLU A 22 4.359 -13.264 -4.806 1.00 0.00 N ATOM 307 CA GLU A 22 3.906 -12.674 -6.052 1.00 0.00 C ATOM 308 C GLU A 22 3.988 -13.709 -7.177 1.00 0.00 C ATOM 309 O GLU A 22 4.803 -13.607 -8.089 1.00 0.00 O ATOM 310 CB GLU A 22 4.728 -11.404 -6.347 1.00 0.00 C ATOM 311 CG GLU A 22 3.990 -10.435 -7.287 1.00 0.00 C ATOM 312 CD GLU A 22 3.734 -10.997 -8.677 1.00 0.00 C ATOM 313 OE1 GLU A 22 4.681 -10.939 -9.490 1.00 0.00 O ATOM 314 OE2 GLU A 22 2.600 -11.482 -8.890 1.00 0.00 O ATOM 0 H GLU A 22 5.291 -12.949 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 22 2.861 -12.373 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.955 -10.895 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.681 -11.687 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.036 -10.162 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.573 -9.519 -7.378 1.00 0.00 H new ATOM 321 N GLU A 23 3.138 -14.728 -7.092 1.00 0.00 N ATOM 322 CA GLU A 23 2.974 -15.702 -8.163 1.00 0.00 C ATOM 323 C GLU A 23 2.300 -14.969 -9.329 1.00 0.00 C ATOM 324 O GLU A 23 2.778 -14.990 -10.459 1.00 0.00 O ATOM 325 CB GLU A 23 2.132 -16.891 -7.681 1.00 0.00 C ATOM 326 CG GLU A 23 2.800 -17.623 -6.506 1.00 0.00 C ATOM 327 CD GLU A 23 1.964 -18.811 -6.044 1.00 0.00 C ATOM 328 OE1 GLU A 23 2.036 -19.855 -6.728 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.261 -18.651 -5.023 1.00 0.00 O ATOM 0 H GLU A 23 2.545 -14.900 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 23 3.934 -16.110 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.146 -16.539 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.981 -17.588 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.790 -17.967 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.941 -16.930 -5.676 1.00 0.00 H new ATOM 336 N HIS A 24 1.186 -14.304 -9.010 1.00 0.00 N ATOM 337 CA HIS A 24 0.381 -13.480 -9.909 1.00 0.00 C ATOM 338 C HIS A 24 -0.548 -12.582 -9.085 1.00 0.00 C ATOM 339 O HIS A 24 -1.588 -12.131 -9.560 1.00 0.00 O ATOM 340 CB HIS A 24 -0.444 -14.394 -10.825 1.00 0.00 C ATOM 341 CG HIS A 24 -1.433 -15.247 -10.067 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.080 -16.500 -9.559 1.00 0.00 N ATOM 343 CD2 HIS A 24 -2.725 -14.974 -9.699 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.189 -16.955 -8.967 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.205 -16.083 -9.038 1.00 0.00 N ATOM 0 H HIS A 24 0.803 -14.329 -8.065 1.00 0.00 H new ATOM 0 HA HIS A 24 1.031 -12.852 -10.518 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.980 -13.784 -11.552 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.230 -15.040 -11.387 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.266 -14.059 -9.892 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.259 -17.919 -8.485 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.149 -16.215 -8.674 1.00 0.00 H new ATOM 353 N LYS A 25 -0.184 -12.335 -7.827 1.00 0.00 N ATOM 354 CA LYS A 25 -1.052 -11.646 -6.886 1.00 0.00 C ATOM 355 C LYS A 25 -1.226 -10.174 -7.253 1.00 0.00 C ATOM 356 O LYS A 25 -0.273 -9.547 -7.716 1.00 0.00 O ATOM 357 CB LYS A 25 -0.461 -11.726 -5.471 1.00 0.00 C ATOM 358 CG LYS A 25 -0.177 -13.148 -4.982 1.00 0.00 C ATOM 359 CD LYS A 25 -1.445 -14.011 -4.920 1.00 0.00 C ATOM 360 CE LYS A 25 -1.164 -15.325 -4.182 1.00 0.00 C ATOM 361 NZ LYS A 25 -0.044 -16.061 -4.791 1.00 0.00 N ATOM 0 H LYS A 25 0.718 -12.608 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.025 -12.137 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.467 -11.154 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.150 -11.247 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.548 -13.619 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.278 -13.105 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.240 -13.464 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.798 -14.222 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.936 -15.114 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.058 -15.948 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.010 -17.014 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.195 -16.136 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.845 -15.554 -4.608 1.00 0.00 H new ATOM 375 N PRO A 26 -2.414 -9.592 -7.033 1.00 0.00 N ATOM 376 CA PRO A 26 -2.597 -8.163 -7.183 1.00 0.00 C ATOM 377 C PRO A 26 -1.849 -7.448 -6.056 1.00 0.00 C ATOM 378 O PRO A 26 -2.390 -7.284 -4.959 1.00 0.00 O ATOM 379 CB PRO A 26 -4.110 -7.930 -7.129 1.00 0.00 C ATOM 380 CG PRO A 26 -4.593 -9.088 -6.259 1.00 0.00 C ATOM 381 CD PRO A 26 -3.680 -10.234 -6.696 1.00 0.00 C ATOM 0 HA PRO A 26 -2.199 -7.771 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.356 -6.963 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.560 -7.953 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.488 -8.868 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.644 -9.317 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.553 -10.965 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.094 -10.766 -7.552 1.00 0.00 H new ATOM 389 N ILE A 27 -0.591 -7.067 -6.309 1.00 0.00 N ATOM 390 CA ILE A 27 0.175 -6.285 -5.354 1.00 0.00 C ATOM 391 C ILE A 27 -0.039 -4.827 -5.757 1.00 0.00 C ATOM 392 O ILE A 27 0.351 -4.393 -6.843 1.00 0.00 O ATOM 393 CB ILE A 27 1.636 -6.772 -5.194 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.675 -6.077 -6.079 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.731 -8.280 -5.446 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.248 -4.859 -5.358 1.00 0.00 C ATOM 0 H ILE A 27 -0.090 -7.291 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.171 -6.412 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 27 1.883 -6.509 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.477 -6.773 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.217 -5.770 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.765 -8.604 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.102 -8.809 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.394 -8.502 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.986 -4.372 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.444 -4.158 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.724 -5.176 -4.430 1.00 0.00 H new ATOM 408 N VAL A 28 -0.751 -4.099 -4.901 1.00 0.00 N ATOM 409 CA VAL A 28 -1.158 -2.733 -5.128 1.00 0.00 C ATOM 410 C VAL A 28 -0.136 -1.846 -4.431 1.00 0.00 C ATOM 411 O VAL A 28 0.099 -2.004 -3.233 1.00 0.00 O ATOM 412 CB VAL A 28 -2.582 -2.515 -4.582 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.177 -1.259 -5.223 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.522 -3.694 -4.877 1.00 0.00 C ATOM 0 H VAL A 28 -1.066 -4.465 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.190 -2.490 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.497 -2.416 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.185 -1.098 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.555 -0.397 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.215 -1.386 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.510 -3.483 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.598 -3.838 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.125 -4.599 -4.417 1.00 0.00 H new ATOM 424 N VAL A 29 0.487 -0.940 -5.179 1.00 0.00 N ATOM 425 CA VAL A 29 1.523 -0.052 -4.679 1.00 0.00 C ATOM 426 C VAL A 29 1.019 1.381 -4.649 1.00 0.00 C ATOM 427 O VAL A 29 0.950 2.025 -5.695 1.00 0.00 O ATOM 428 CB VAL A 29 2.765 -0.156 -5.565 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.868 0.766 -5.044 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.258 -1.599 -5.548 1.00 0.00 C ATOM 0 H VAL A 29 0.279 -0.803 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 29 1.784 -0.349 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 29 2.511 0.144 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.746 0.681 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.513 1.797 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.132 0.478 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.144 -1.688 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.507 -1.886 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.476 -2.255 -5.929 1.00 0.00 H new ATOM 440 N ASP A 30 0.696 1.870 -3.453 1.00 0.00 N ATOM 441 CA ASP A 30 0.275 3.239 -3.216 1.00 0.00 C ATOM 442 C ASP A 30 1.504 4.147 -3.168 1.00 0.00 C ATOM 443 O ASP A 30 2.099 4.340 -2.106 1.00 0.00 O ATOM 444 CB ASP A 30 -0.509 3.296 -1.897 1.00 0.00 C ATOM 445 CG ASP A 30 -0.783 4.717 -1.414 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.794 5.623 -2.273 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.990 4.872 -0.190 1.00 0.00 O ATOM 0 H ASP A 30 0.722 1.306 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.372 3.585 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.458 2.775 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.048 2.760 -1.129 1.00 0.00 H new ATOM 452 N PHE A 31 1.899 4.692 -4.318 1.00 0.00 N ATOM 453 CA PHE A 31 2.948 5.694 -4.374 1.00 0.00 C ATOM 454 C PHE A 31 2.304 7.021 -3.987 1.00 0.00 C ATOM 455 O PHE A 31 1.466 7.520 -4.738 1.00 0.00 O ATOM 456 CB PHE A 31 3.531 5.813 -5.783 1.00 0.00 C ATOM 457 CG PHE A 31 4.421 4.671 -6.216 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.805 4.742 -5.970 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.909 3.656 -7.045 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.683 3.856 -6.615 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.791 2.783 -7.705 1.00 0.00 C ATOM 462 CZ PHE A 31 6.178 2.903 -7.515 1.00 0.00 C ATOM 0 H PHE A 31 1.502 4.450 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 31 3.762 5.419 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.708 5.898 -6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.102 6.739 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.193 5.480 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.842 3.548 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.744 3.907 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.401 2.018 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.855 2.263 -8.061 1.00 0.00 H new ATOM 472 N THR A 32 2.682 7.597 -2.845 1.00 0.00 N ATOM 473 CA THR A 32 2.154 8.874 -2.396 1.00 0.00 C ATOM 474 C THR A 32 3.282 9.703 -1.794 1.00 0.00 C ATOM 475 O THR A 32 4.228 9.172 -1.223 1.00 0.00 O ATOM 476 CB THR A 32 1.001 8.656 -1.403 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.123 8.171 -2.097 1.00 0.00 O ATOM 478 CG2 THR A 32 0.546 9.961 -0.745 1.00 0.00 C ATOM 0 H THR A 32 3.365 7.186 -2.208 1.00 0.00 H new ATOM 0 HA THR A 32 1.745 9.425 -3.243 1.00 0.00 H new ATOM 0 HB THR A 32 1.370 7.963 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.289 7.240 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.270 9.754 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.380 10.404 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.203 10.655 -1.512 1.00 0.00 H new ATOM 486 N ALA A 33 3.203 11.021 -1.955 1.00 0.00 N ATOM 487 CA ALA A 33 4.148 11.951 -1.370 1.00 0.00 C ATOM 488 C ALA A 33 3.801 12.108 0.109 1.00 0.00 C ATOM 489 O ALA A 33 2.807 12.752 0.428 1.00 0.00 O ATOM 490 CB ALA A 33 4.028 13.284 -2.107 1.00 0.00 C ATOM 0 H ALA A 33 2.470 11.473 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 33 5.174 11.594 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.732 14.000 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.253 13.137 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.013 13.667 -2.002 1.00 0.00 H new ATOM 496 N THR A 34 4.602 11.551 1.020 1.00 0.00 N ATOM 497 CA THR A 34 4.337 11.662 2.455 1.00 0.00 C ATOM 498 C THR A 34 4.289 13.134 2.875 1.00 0.00 C ATOM 499 O THR A 34 3.473 13.525 3.705 1.00 0.00 O ATOM 500 CB THR A 34 5.383 10.848 3.225 1.00 0.00 C ATOM 501 OG1 THR A 34 5.271 9.511 2.792 1.00 0.00 O ATOM 502 CG2 THR A 34 5.176 10.847 4.737 1.00 0.00 C ATOM 0 H THR A 34 5.440 11.018 0.788 1.00 0.00 H new ATOM 0 HA THR A 34 3.359 11.245 2.695 1.00 0.00 H new ATOM 0 HB THR A 34 6.355 11.301 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.676 8.917 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.955 10.250 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.224 11.870 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.200 10.421 4.970 1.00 0.00 H new ATOM 510 N TRP A 35 5.146 13.955 2.263 1.00 0.00 N ATOM 511 CA TRP A 35 5.168 15.393 2.474 1.00 0.00 C ATOM 512 C TRP A 35 3.827 16.020 2.061 1.00 0.00 C ATOM 513 O TRP A 35 3.389 17.000 2.664 1.00 0.00 O ATOM 514 CB TRP A 35 6.356 15.997 1.709 1.00 0.00 C ATOM 515 CG TRP A 35 6.569 15.533 0.295 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.299 14.456 -0.074 1.00 0.00 C ATOM 517 CD2 TRP A 35 6.086 16.125 -0.948 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.286 14.320 -1.447 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.578 15.345 -2.040 1.00 0.00 C ATOM 520 CE3 TRP A 35 5.268 17.230 -1.268 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.278 15.651 -3.375 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.956 17.540 -2.605 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.460 16.755 -3.658 1.00 0.00 C ATOM 0 H TRP A 35 5.850 13.630 1.600 1.00 0.00 H new ATOM 0 HA TRP A 35 5.301 15.612 3.533 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.233 17.080 1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 35 7.264 15.787 2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.817 13.798 0.607 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.740 13.562 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.875 17.848 -0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.672 15.044 -4.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.324 18.388 -2.824 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.218 17.002 -4.681 1.00 0.00 H new ATOM 534 N CYS A 36 3.149 15.464 1.050 1.00 0.00 N ATOM 535 CA CYS A 36 1.843 15.952 0.631 1.00 0.00 C ATOM 536 C CYS A 36 0.792 15.415 1.604 1.00 0.00 C ATOM 537 O CYS A 36 0.060 14.471 1.305 1.00 0.00 O ATOM 538 CB CYS A 36 1.536 15.545 -0.811 1.00 0.00 C ATOM 539 SG CYS A 36 -0.097 16.091 -1.367 1.00 0.00 S ATOM 0 H CYS A 36 3.492 14.671 0.508 1.00 0.00 H new ATOM 0 HA CYS A 36 1.832 17.042 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.297 15.963 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.600 14.460 -0.898 1.00 0.00 H new ATOM 544 N GLY A 37 0.724 16.034 2.786 1.00 0.00 N ATOM 545 CA GLY A 37 -0.239 15.712 3.834 1.00 0.00 C ATOM 546 C GLY A 37 -1.633 15.403 3.266 1.00 0.00 C ATOM 547 O GLY A 37 -2.178 14.339 3.551 1.00 0.00 O ATOM 0 H GLY A 37 1.355 16.792 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.118 14.853 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.309 16.548 4.530 1.00 0.00 H new ATOM 551 N PRO A 38 -2.217 16.303 2.456 1.00 0.00 N ATOM 552 CA PRO A 38 -3.508 16.082 1.823 1.00 0.00 C ATOM 553 C PRO A 38 -3.565 14.771 1.038 1.00 0.00 C ATOM 554 O PRO A 38 -4.521 14.012 1.163 1.00 0.00 O ATOM 555 CB PRO A 38 -3.737 17.298 0.921 1.00 0.00 C ATOM 556 CG PRO A 38 -2.960 18.401 1.638 1.00 0.00 C ATOM 557 CD PRO A 38 -1.741 17.648 2.168 1.00 0.00 C ATOM 0 HA PRO A 38 -4.294 15.983 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.362 17.129 -0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.796 17.542 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.677 19.206 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.542 18.851 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.938 17.632 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.343 18.125 3.064 1.00 0.00 H new ATOM 565 N CYS A 39 -2.530 14.488 0.245 1.00 0.00 N ATOM 566 CA CYS A 39 -2.462 13.273 -0.562 1.00 0.00 C ATOM 567 C CYS A 39 -2.544 12.067 0.369 1.00 0.00 C ATOM 568 O CYS A 39 -3.298 11.124 0.126 1.00 0.00 O ATOM 569 CB CYS A 39 -1.167 13.190 -1.385 1.00 0.00 C ATOM 570 SG CYS A 39 -0.770 14.514 -2.557 1.00 0.00 S ATOM 0 H CYS A 39 -1.717 15.096 0.146 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.295 13.287 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.337 13.116 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.195 12.255 -1.945 1.00 0.00 H new ATOM 575 N LYS A 40 -1.781 12.108 1.466 1.00 0.00 N ATOM 576 CA LYS A 40 -1.785 11.021 2.430 1.00 0.00 C ATOM 577 C LYS A 40 -3.160 10.800 3.068 1.00 0.00 C ATOM 578 O LYS A 40 -3.351 9.737 3.648 1.00 0.00 O ATOM 579 CB LYS A 40 -0.695 11.224 3.495 1.00 0.00 C ATOM 580 CG LYS A 40 0.693 10.749 3.036 1.00 0.00 C ATOM 581 CD LYS A 40 0.762 9.219 2.862 1.00 0.00 C ATOM 582 CE LYS A 40 2.187 8.706 2.619 1.00 0.00 C ATOM 583 NZ LYS A 40 2.199 7.246 2.401 1.00 0.00 N ATOM 0 H LYS A 40 -1.158 12.881 1.701 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.555 10.110 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.643 12.281 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.975 10.686 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.945 11.231 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.441 11.063 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.356 8.739 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.129 8.925 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.615 9.209 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.816 8.954 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.177 6.925 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.797 6.768 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.631 7.016 1.561 1.00 0.00 H new ATOM 597 N MET A 41 -4.145 11.700 2.941 1.00 0.00 N ATOM 598 CA MET A 41 -5.484 11.422 3.467 1.00 0.00 C ATOM 599 C MET A 41 -6.153 10.284 2.697 1.00 0.00 C ATOM 600 O MET A 41 -7.142 9.734 3.174 1.00 0.00 O ATOM 601 CB MET A 41 -6.344 12.692 3.455 1.00 0.00 C ATOM 602 CG MET A 41 -5.733 13.788 4.336 1.00 0.00 C ATOM 603 SD MET A 41 -6.660 15.342 4.363 1.00 0.00 S ATOM 604 CE MET A 41 -5.647 16.274 5.532 1.00 0.00 C ATOM 0 H MET A 41 -4.042 12.608 2.488 1.00 0.00 H new ATOM 0 HA MET A 41 -5.383 11.097 4.503 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.442 13.057 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.348 12.457 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.651 13.412 5.356 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.720 13.991 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.073 17.267 5.671 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.622 15.752 6.489 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.633 16.366 5.142 1.00 0.00 H new ATOM 614 N ILE A 42 -5.609 9.882 1.543 1.00 0.00 N ATOM 615 CA ILE A 42 -6.101 8.710 0.841 1.00 0.00 C ATOM 616 C ILE A 42 -5.429 7.451 1.419 1.00 0.00 C ATOM 617 O ILE A 42 -5.984 6.359 1.338 1.00 0.00 O ATOM 618 CB ILE A 42 -5.869 8.878 -0.667 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.805 9.959 -1.243 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.169 7.560 -1.383 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.258 11.387 -1.144 1.00 0.00 C ATOM 0 H ILE A 42 -4.831 10.355 1.083 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.175 8.595 0.984 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.831 9.172 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.003 9.730 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.760 9.912 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.004 7.682 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.511 6.780 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.207 7.278 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.979 12.083 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.087 11.639 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.318 11.455 -1.692 1.00 0.00 H new ATOM 633 N ALA A 43 -4.250 7.573 2.035 1.00 0.00 N ATOM 634 CA ALA A 43 -3.557 6.436 2.631 1.00 0.00 C ATOM 635 C ALA A 43 -4.443 5.654 3.624 1.00 0.00 C ATOM 636 O ALA A 43 -4.458 4.430 3.530 1.00 0.00 O ATOM 637 CB ALA A 43 -2.250 6.879 3.292 1.00 0.00 C ATOM 0 H ALA A 43 -3.754 8.459 2.132 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.319 5.750 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.752 6.014 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.600 7.333 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.466 7.607 4.074 1.00 0.00 H new ATOM 643 N PRO A 44 -5.178 6.269 4.576 1.00 0.00 N ATOM 644 CA PRO A 44 -6.065 5.516 5.452 1.00 0.00 C ATOM 645 C PRO A 44 -7.165 4.824 4.646 1.00 0.00 C ATOM 646 O PRO A 44 -7.562 3.713 4.984 1.00 0.00 O ATOM 647 CB PRO A 44 -6.626 6.507 6.475 1.00 0.00 C ATOM 648 CG PRO A 44 -6.492 7.851 5.769 1.00 0.00 C ATOM 649 CD PRO A 44 -5.211 7.669 4.956 1.00 0.00 C ATOM 0 HA PRO A 44 -5.531 4.718 5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.664 6.285 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.063 6.484 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.351 8.062 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.410 8.675 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.212 8.313 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.333 7.935 5.545 1.00 0.00 H new ATOM 657 N LEU A 45 -7.655 5.453 3.574 1.00 0.00 N ATOM 658 CA LEU A 45 -8.639 4.789 2.712 1.00 0.00 C ATOM 659 C LEU A 45 -7.990 3.537 2.102 1.00 0.00 C ATOM 660 O LEU A 45 -8.576 2.454 2.123 1.00 0.00 O ATOM 661 CB LEU A 45 -9.176 5.732 1.618 1.00 0.00 C ATOM 662 CG LEU A 45 -10.322 6.663 2.054 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.635 5.899 2.266 1.00 0.00 C ATOM 664 CD2 LEU A 45 -9.979 7.480 3.304 1.00 0.00 C ATOM 0 H LEU A 45 -7.396 6.397 3.286 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.501 4.500 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.352 6.345 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.520 5.128 0.778 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.460 7.363 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.416 6.595 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.928 5.413 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.496 5.145 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.823 8.118 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.765 6.805 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.104 8.099 3.105 1.00 0.00 H new ATOM 676 N PHE A 46 -6.762 3.667 1.589 1.00 0.00 N ATOM 677 CA PHE A 46 -6.007 2.543 1.044 1.00 0.00 C ATOM 678 C PHE A 46 -5.870 1.459 2.118 1.00 0.00 C ATOM 679 O PHE A 46 -6.116 0.285 1.854 1.00 0.00 O ATOM 680 CB PHE A 46 -4.632 3.016 0.551 1.00 0.00 C ATOM 681 CG PHE A 46 -3.840 1.968 -0.209 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.103 1.753 -1.569 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.801 1.253 0.412 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.330 0.839 -2.304 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.957 0.421 -0.346 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.225 0.203 -1.709 1.00 0.00 C ATOM 0 H PHE A 46 -6.266 4.557 1.542 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.537 2.123 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.770 3.885 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.046 3.344 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.903 2.292 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.650 1.343 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.585 0.623 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.104 -0.050 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.589 -0.446 -2.293 1.00 0.00 H new ATOM 696 N GLU A 47 -5.506 1.851 3.343 1.00 0.00 N ATOM 697 CA GLU A 47 -5.378 0.943 4.474 1.00 0.00 C ATOM 698 C GLU A 47 -6.715 0.243 4.737 1.00 0.00 C ATOM 699 O GLU A 47 -6.747 -0.958 4.989 1.00 0.00 O ATOM 700 CB GLU A 47 -4.892 1.723 5.705 1.00 0.00 C ATOM 701 CG GLU A 47 -4.616 0.825 6.920 1.00 0.00 C ATOM 702 CD GLU A 47 -3.587 -0.260 6.623 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.456 0.118 6.248 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.956 -1.445 6.761 1.00 0.00 O ATOM 0 H GLU A 47 -5.291 2.821 3.574 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.641 0.172 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.982 2.265 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.641 2.468 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.263 1.439 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.547 0.359 7.243 1.00 0.00 H new ATOM 711 N THR A 48 -7.829 0.974 4.665 1.00 0.00 N ATOM 712 CA THR A 48 -9.150 0.384 4.841 1.00 0.00 C ATOM 713 C THR A 48 -9.356 -0.685 3.761 1.00 0.00 C ATOM 714 O THR A 48 -9.801 -1.793 4.061 1.00 0.00 O ATOM 715 CB THR A 48 -10.235 1.474 4.796 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.937 2.488 5.736 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.609 0.900 5.154 1.00 0.00 C ATOM 0 H THR A 48 -7.838 1.978 4.485 1.00 0.00 H new ATOM 0 HA THR A 48 -9.227 -0.092 5.819 1.00 0.00 H new ATOM 0 HB THR A 48 -10.255 1.874 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.162 3.003 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.356 1.693 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.873 0.117 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.578 0.481 6.160 1.00 0.00 H new ATOM 725 N LEU A 49 -8.999 -0.378 2.509 1.00 0.00 N ATOM 726 CA LEU A 49 -9.108 -1.348 1.425 1.00 0.00 C ATOM 727 C LEU A 49 -8.197 -2.550 1.702 1.00 0.00 C ATOM 728 O LEU A 49 -8.569 -3.690 1.444 1.00 0.00 O ATOM 729 CB LEU A 49 -8.776 -0.677 0.082 1.00 0.00 C ATOM 730 CG LEU A 49 -9.338 -1.416 -1.136 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.868 -1.523 -1.038 1.00 0.00 C ATOM 732 CD2 LEU A 49 -8.963 -0.655 -2.410 1.00 0.00 C ATOM 0 H LEU A 49 -8.634 0.532 2.227 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.132 -1.716 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.166 0.341 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.693 -0.603 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.915 -2.420 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.252 -2.051 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.137 -2.071 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.301 -0.523 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.362 -1.180 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.382 0.351 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.878 -0.593 -2.491 1.00 0.00 H new ATOM 744 N SER A 50 -7.012 -2.300 2.260 1.00 0.00 N ATOM 745 CA SER A 50 -6.070 -3.342 2.641 1.00 0.00 C ATOM 746 C SER A 50 -6.714 -4.269 3.672 1.00 0.00 C ATOM 747 O SER A 50 -6.680 -5.488 3.521 1.00 0.00 O ATOM 748 CB SER A 50 -4.784 -2.696 3.171 1.00 0.00 C ATOM 749 OG SER A 50 -4.269 -1.682 2.328 1.00 0.00 O ATOM 0 H SER A 50 -6.680 -1.357 2.460 1.00 0.00 H new ATOM 0 HA SER A 50 -5.807 -3.949 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.980 -2.273 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.026 -3.469 3.301 1.00 0.00 H new ATOM 0 HG SER A 50 -4.343 -1.965 1.393 1.00 0.00 H new ATOM 755 N ASN A 51 -7.320 -3.691 4.710 1.00 0.00 N ATOM 756 CA ASN A 51 -8.028 -4.445 5.733 1.00 0.00 C ATOM 757 C ASN A 51 -9.160 -5.250 5.089 1.00 0.00 C ATOM 758 O ASN A 51 -9.346 -6.419 5.409 1.00 0.00 O ATOM 759 CB ASN A 51 -8.567 -3.485 6.799 1.00 0.00 C ATOM 760 CG ASN A 51 -9.462 -4.207 7.800 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.994 -4.699 8.820 1.00 0.00 O ATOM 762 ND2 ASN A 51 -10.763 -4.269 7.529 1.00 0.00 N ATOM 0 H ASN A 51 -7.331 -2.682 4.861 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.346 -5.144 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.734 -3.019 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.129 -2.684 6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.397 -4.735 8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.126 -3.851 6.672 1.00 0.00 H new ATOM 769 N ASP A 52 -9.928 -4.621 4.194 1.00 0.00 N ATOM 770 CA ASP A 52 -11.024 -5.280 3.494 1.00 0.00 C ATOM 771 C ASP A 52 -10.510 -6.497 2.717 1.00 0.00 C ATOM 772 O ASP A 52 -10.958 -7.619 2.946 1.00 0.00 O ATOM 773 CB ASP A 52 -11.714 -4.281 2.557 1.00 0.00 C ATOM 774 CG ASP A 52 -12.821 -4.948 1.751 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.877 -5.222 2.360 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.591 -5.163 0.542 1.00 0.00 O ATOM 0 H ASP A 52 -9.804 -3.642 3.938 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.753 -5.634 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.131 -3.460 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.978 -3.848 1.879 1.00 0.00 H new ATOM 781 N TYR A 53 -9.540 -6.303 1.820 1.00 0.00 N ATOM 782 CA TYR A 53 -8.989 -7.377 1.013 1.00 0.00 C ATOM 783 C TYR A 53 -7.874 -8.053 1.802 1.00 0.00 C ATOM 784 O TYR A 53 -6.731 -8.162 1.353 1.00 0.00 O ATOM 785 CB TYR A 53 -8.504 -6.802 -0.314 1.00 0.00 C ATOM 786 CG TYR A 53 -9.585 -6.426 -1.305 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.058 -7.373 -2.233 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.941 -5.077 -1.455 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.853 -6.959 -3.316 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.651 -4.653 -2.590 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.161 -5.600 -3.488 1.00 0.00 C ATOM 792 OH TYR A 53 -11.897 -5.202 -4.562 1.00 0.00 O ATOM 0 H TYR A 53 -9.119 -5.392 1.638 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.741 -8.132 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.904 -5.916 -0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.844 -7.531 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.810 -8.417 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.668 -4.361 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.228 -7.689 -4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.804 -3.599 -2.770 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.615 -4.305 -4.837 1.00 0.00 H new ATOM 802 N ALA A 54 -8.227 -8.556 2.986 1.00 0.00 N ATOM 803 CA ALA A 54 -7.275 -9.239 3.841 1.00 0.00 C ATOM 804 C ALA A 54 -6.788 -10.535 3.181 1.00 0.00 C ATOM 805 O ALA A 54 -5.718 -11.022 3.536 1.00 0.00 O ATOM 806 CB ALA A 54 -7.920 -9.551 5.194 1.00 0.00 C ATOM 0 H ALA A 54 -9.171 -8.499 3.369 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.416 -8.586 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.199 -10.064 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.230 -8.622 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.790 -10.190 5.044 1.00 0.00 H new ATOM 812 N GLY A 55 -7.542 -11.077 2.214 1.00 0.00 N ATOM 813 CA GLY A 55 -7.237 -12.305 1.487 1.00 0.00 C ATOM 814 C GLY A 55 -5.962 -12.224 0.632 1.00 0.00 C ATOM 815 O GLY A 55 -5.027 -11.493 0.952 1.00 0.00 O ATOM 0 H GLY A 55 -8.416 -10.649 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.132 -13.122 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.080 -12.552 0.842 1.00 0.00 H new ATOM 819 N LYS A 56 -5.921 -12.960 -0.482 1.00 0.00 N ATOM 820 CA LYS A 56 -4.753 -13.093 -1.355 1.00 0.00 C ATOM 821 C LYS A 56 -4.523 -11.856 -2.247 1.00 0.00 C ATOM 822 O LYS A 56 -4.378 -11.953 -3.463 1.00 0.00 O ATOM 823 CB LYS A 56 -4.852 -14.420 -2.144 1.00 0.00 C ATOM 824 CG LYS A 56 -6.225 -14.828 -2.719 1.00 0.00 C ATOM 825 CD LYS A 56 -6.821 -13.858 -3.748 1.00 0.00 C ATOM 826 CE LYS A 56 -6.094 -13.958 -5.095 1.00 0.00 C ATOM 827 NZ LYS A 56 -6.494 -12.874 -6.006 1.00 0.00 N ATOM 0 H LYS A 56 -6.724 -13.496 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.857 -13.137 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.147 -14.367 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.514 -15.223 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.129 -15.810 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.929 -14.933 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.880 -14.077 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.753 -12.838 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.017 -13.919 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.312 -14.921 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.077 -13.037 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.531 -12.853 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.158 -11.964 -5.631 1.00 0.00 H new ATOM 841 N VAL A 57 -4.452 -10.683 -1.617 1.00 0.00 N ATOM 842 CA VAL A 57 -4.195 -9.389 -2.231 1.00 0.00 C ATOM 843 C VAL A 57 -3.090 -8.734 -1.399 1.00 0.00 C ATOM 844 O VAL A 57 -3.095 -8.883 -0.173 1.00 0.00 O ATOM 845 CB VAL A 57 -5.494 -8.565 -2.240 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.335 -7.210 -2.941 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.639 -9.331 -2.917 1.00 0.00 C ATOM 0 H VAL A 57 -4.580 -10.611 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.872 -9.469 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.732 -8.387 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.284 -6.674 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.573 -6.623 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.035 -7.369 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.542 -8.720 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.366 -9.557 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.823 -10.261 -2.378 1.00 0.00 H new ATOM 857 N ILE A 58 -2.130 -8.054 -2.034 1.00 0.00 N ATOM 858 CA ILE A 58 -0.992 -7.461 -1.332 1.00 0.00 C ATOM 859 C ILE A 58 -1.105 -5.933 -1.424 1.00 0.00 C ATOM 860 O ILE A 58 -1.406 -5.416 -2.496 1.00 0.00 O ATOM 861 CB ILE A 58 0.304 -8.022 -1.960 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.405 -9.561 -1.898 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.545 -7.355 -1.357 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.422 -10.184 -0.502 1.00 0.00 C ATOM 0 H ILE A 58 -2.121 -7.901 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.977 -7.715 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 58 0.258 -7.771 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.436 -9.981 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.313 -9.865 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.441 -7.770 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.506 -6.281 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.571 -7.539 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.495 -11.268 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.279 -9.805 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.496 -9.923 0.024 1.00 0.00 H new ATOM 876 N PHE A 59 -0.897 -5.205 -0.318 1.00 0.00 N ATOM 877 CA PHE A 59 -1.004 -3.746 -0.296 1.00 0.00 C ATOM 878 C PHE A 59 0.271 -3.138 0.271 1.00 0.00 C ATOM 879 O PHE A 59 0.550 -3.265 1.463 1.00 0.00 O ATOM 880 CB PHE A 59 -2.201 -3.293 0.538 1.00 0.00 C ATOM 881 CG PHE A 59 -3.547 -3.549 -0.103 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.096 -4.842 -0.088 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.299 -2.476 -0.615 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.399 -5.050 -0.562 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.592 -2.689 -1.112 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.155 -3.972 -1.063 1.00 0.00 C ATOM 0 H PHE A 59 -0.650 -5.614 0.583 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.148 -3.404 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.169 -3.802 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.105 -2.226 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.517 -5.673 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.877 -1.482 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.825 -6.042 -0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.153 -1.867 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.165 -4.133 -1.408 1.00 0.00 H new ATOM 896 N LEU A 60 1.017 -2.452 -0.592 1.00 0.00 N ATOM 897 CA LEU A 60 2.252 -1.767 -0.271 1.00 0.00 C ATOM 898 C LEU A 60 2.033 -0.261 -0.404 1.00 0.00 C ATOM 899 O LEU A 60 1.253 0.179 -1.250 1.00 0.00 O ATOM 900 CB LEU A 60 3.341 -2.208 -1.256 1.00 0.00 C ATOM 901 CG LEU A 60 3.622 -3.718 -1.302 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.850 -3.950 -2.187 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.886 -4.334 0.075 1.00 0.00 C ATOM 0 H LEU A 60 0.760 -2.359 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 60 2.558 -2.008 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.057 -1.879 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.267 -1.692 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 60 2.729 -4.202 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.068 -5.017 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.651 -3.576 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.706 -3.423 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.076 -5.402 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.754 -3.855 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.015 -4.184 0.714 1.00 0.00 H new ATOM 915 N LYS A 61 2.718 0.527 0.424 1.00 0.00 N ATOM 916 CA LYS A 61 2.739 1.980 0.334 1.00 0.00 C ATOM 917 C LYS A 61 4.186 2.374 0.071 1.00 0.00 C ATOM 918 O LYS A 61 5.095 1.702 0.557 1.00 0.00 O ATOM 919 CB LYS A 61 2.220 2.630 1.618 1.00 0.00 C ATOM 920 CG LYS A 61 0.773 2.240 1.927 1.00 0.00 C ATOM 921 CD LYS A 61 0.295 3.015 3.163 1.00 0.00 C ATOM 922 CE LYS A 61 -1.103 2.597 3.629 1.00 0.00 C ATOM 923 NZ LYS A 61 -1.196 1.141 3.853 1.00 0.00 N ATOM 0 H LYS A 61 3.284 0.162 1.190 1.00 0.00 H new ATOM 0 HA LYS A 61 2.084 2.325 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.858 2.339 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.289 3.714 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.133 2.463 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.703 1.167 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.004 2.862 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.293 4.081 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.351 3.123 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.839 2.897 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.776 0.956 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.635 0.690 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.243 0.750 3.996 1.00 0.00 H new ATOM 937 N VAL A 62 4.401 3.417 -0.731 1.00 0.00 N ATOM 938 CA VAL A 62 5.728 3.899 -1.089 1.00 0.00 C ATOM 939 C VAL A 62 5.732 5.428 -1.018 1.00 0.00 C ATOM 940 O VAL A 62 4.898 6.088 -1.643 1.00 0.00 O ATOM 941 CB VAL A 62 6.126 3.367 -2.484 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.489 3.926 -2.908 1.00 0.00 C ATOM 943 CG2 VAL A 62 6.234 1.836 -2.478 1.00 0.00 C ATOM 0 H VAL A 62 3.645 3.956 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 62 6.475 3.527 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 62 5.350 3.686 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.751 3.539 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.440 5.014 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.247 3.623 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.515 1.487 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.991 1.527 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.272 1.404 -2.201 1.00 0.00 H new ATOM 953 N ASP A 63 6.680 5.994 -0.259 1.00 0.00 N ATOM 954 CA ASP A 63 6.794 7.435 -0.115 1.00 0.00 C ATOM 955 C ASP A 63 7.591 8.018 -1.282 1.00 0.00 C ATOM 956 O ASP A 63 8.783 7.726 -1.439 1.00 0.00 O ATOM 957 CB ASP A 63 7.448 7.822 1.215 1.00 0.00 C ATOM 958 CG ASP A 63 7.807 9.303 1.216 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.946 10.096 0.767 1.00 0.00 O ATOM 960 OD2 ASP A 63 8.933 9.618 1.650 1.00 0.00 O ATOM 0 H ASP A 63 7.378 5.465 0.264 1.00 0.00 H new ATOM 0 HA ASP A 63 5.786 7.850 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.768 7.605 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.345 7.223 1.375 1.00 0.00 H new ATOM 965 N VAL A 64 6.941 8.880 -2.067 1.00 0.00 N ATOM 966 CA VAL A 64 7.546 9.588 -3.187 1.00 0.00 C ATOM 967 C VAL A 64 8.418 10.719 -2.621 1.00 0.00 C ATOM 968 O VAL A 64 8.075 11.900 -2.679 1.00 0.00 O ATOM 969 CB VAL A 64 6.452 10.076 -4.157 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.064 10.757 -5.391 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.610 8.887 -4.639 1.00 0.00 C ATOM 0 H VAL A 64 5.956 9.107 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 64 8.190 8.933 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 64 5.833 10.793 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.267 11.090 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.656 11.616 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.703 10.049 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.839 9.241 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.252 8.171 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.140 8.403 -3.783 1.00 0.00 H new ATOM 981 N ASP A 65 9.547 10.308 -2.045 1.00 0.00 N ATOM 982 CA ASP A 65 10.606 11.110 -1.451 1.00 0.00 C ATOM 983 C ASP A 65 11.620 10.112 -0.895 1.00 0.00 C ATOM 984 O ASP A 65 12.668 9.902 -1.504 1.00 0.00 O ATOM 985 CB ASP A 65 10.071 12.075 -0.384 1.00 0.00 C ATOM 986 CG ASP A 65 11.186 12.624 0.498 1.00 0.00 C ATOM 987 OD1 ASP A 65 12.179 13.111 -0.085 1.00 0.00 O ATOM 988 OD2 ASP A 65 11.025 12.547 1.734 1.00 0.00 O ATOM 0 H ASP A 65 9.759 9.313 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 65 11.073 11.762 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.552 12.902 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.338 11.559 0.237 1.00 0.00 H new ATOM 993 N ALA A 66 11.274 9.417 0.194 1.00 0.00 N ATOM 994 CA ALA A 66 12.140 8.400 0.782 1.00 0.00 C ATOM 995 C ALA A 66 12.551 7.373 -0.275 1.00 0.00 C ATOM 996 O ALA A 66 13.704 6.948 -0.293 1.00 0.00 O ATOM 997 CB ALA A 66 11.436 7.711 1.953 1.00 0.00 C ATOM 0 H ALA A 66 10.390 9.545 0.687 1.00 0.00 H new ATOM 0 HA ALA A 66 13.040 8.887 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.095 6.955 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.189 8.450 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.521 7.236 1.599 1.00 0.00 H new ATOM 1003 N VAL A 67 11.620 6.982 -1.158 1.00 0.00 N ATOM 1004 CA VAL A 67 11.908 6.059 -2.251 1.00 0.00 C ATOM 1005 C VAL A 67 11.729 6.794 -3.595 1.00 0.00 C ATOM 1006 O VAL A 67 11.230 6.227 -4.570 1.00 0.00 O ATOM 1007 CB VAL A 67 11.020 4.804 -2.132 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.709 3.629 -2.829 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.764 4.354 -0.687 1.00 0.00 C ATOM 0 H VAL A 67 10.651 7.299 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 67 12.941 5.716 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 67 10.067 5.078 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.084 2.740 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.862 3.869 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.673 3.440 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.132 3.466 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.714 4.122 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.265 5.154 -0.140 1.00 0.00 H new ATOM 1019 N ALA A 68 12.163 8.062 -3.654 1.00 0.00 N ATOM 1020 CA ALA A 68 12.051 8.910 -4.839 1.00 0.00 C ATOM 1021 C ALA A 68 12.518 8.196 -6.107 1.00 0.00 C ATOM 1022 O ALA A 68 11.807 8.204 -7.105 1.00 0.00 O ATOM 1023 CB ALA A 68 12.874 10.187 -4.649 1.00 0.00 C ATOM 0 H ALA A 68 12.608 8.530 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 68 10.996 9.155 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.785 10.813 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.503 10.733 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.921 9.926 -4.493 1.00 0.00 H new ATOM 1029 N ALA A 69 13.704 7.581 -6.075 1.00 0.00 N ATOM 1030 CA ALA A 69 14.293 6.907 -7.229 1.00 0.00 C ATOM 1031 C ALA A 69 13.321 5.915 -7.881 1.00 0.00 C ATOM 1032 O ALA A 69 13.159 5.910 -9.102 1.00 0.00 O ATOM 1033 CB ALA A 69 15.569 6.186 -6.786 1.00 0.00 C ATOM 0 H ALA A 69 14.285 7.538 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 69 14.527 7.661 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.016 5.679 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.276 6.912 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.324 5.453 -6.017 1.00 0.00 H new ATOM 1039 N VAL A 70 12.675 5.075 -7.070 1.00 0.00 N ATOM 1040 CA VAL A 70 11.746 4.064 -7.559 1.00 0.00 C ATOM 1041 C VAL A 70 10.543 4.760 -8.184 1.00 0.00 C ATOM 1042 O VAL A 70 10.120 4.397 -9.278 1.00 0.00 O ATOM 1043 CB VAL A 70 11.337 3.136 -6.405 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.325 2.068 -6.832 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.577 2.414 -5.866 1.00 0.00 C ATOM 0 H VAL A 70 12.784 5.079 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 70 12.218 3.447 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 70 10.873 3.767 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.073 1.442 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.422 2.551 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.758 1.450 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.287 1.755 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.030 1.824 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.297 3.148 -5.504 1.00 0.00 H new ATOM 1055 N ALA A 71 9.992 5.760 -7.491 1.00 0.00 N ATOM 1056 CA ALA A 71 8.867 6.532 -8.011 1.00 0.00 C ATOM 1057 C ALA A 71 9.226 7.144 -9.374 1.00 0.00 C ATOM 1058 O ALA A 71 8.429 7.115 -10.314 1.00 0.00 O ATOM 1059 CB ALA A 71 8.476 7.609 -6.998 1.00 0.00 C ATOM 0 H ALA A 71 10.310 6.052 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 71 8.010 5.875 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.636 8.186 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.189 7.137 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.324 8.273 -6.827 1.00 0.00 H new ATOM 1065 N GLU A 72 10.439 7.692 -9.481 1.00 0.00 N ATOM 1066 CA GLU A 72 10.977 8.250 -10.706 1.00 0.00 C ATOM 1067 C GLU A 72 10.975 7.183 -11.796 1.00 0.00 C ATOM 1068 O GLU A 72 10.339 7.357 -12.832 1.00 0.00 O ATOM 1069 CB GLU A 72 12.406 8.768 -10.451 1.00 0.00 C ATOM 1070 CG GLU A 72 12.521 10.208 -10.938 1.00 0.00 C ATOM 1071 CD GLU A 72 13.909 10.778 -10.668 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.218 10.977 -9.472 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.640 10.996 -11.658 1.00 0.00 O ATOM 0 H GLU A 72 11.084 7.757 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 72 10.358 9.085 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.639 8.713 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.130 8.139 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.310 10.250 -12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.771 10.823 -10.441 1.00 0.00 H new ATOM 1080 N ALA A 73 11.670 6.069 -11.550 1.00 0.00 N ATOM 1081 CA ALA A 73 11.786 4.982 -12.513 1.00 0.00 C ATOM 1082 C ALA A 73 10.406 4.478 -12.950 1.00 0.00 C ATOM 1083 O ALA A 73 10.181 4.213 -14.128 1.00 0.00 O ATOM 1084 CB ALA A 73 12.608 3.848 -11.896 1.00 0.00 C ATOM 0 H ALA A 73 12.167 5.900 -10.675 1.00 0.00 H new ATOM 0 HA ALA A 73 12.293 5.352 -13.404 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.698 3.032 -12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.601 4.216 -11.639 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.111 3.487 -10.995 1.00 0.00 H new ATOM 1090 N ALA A 74 9.482 4.349 -11.996 1.00 0.00 N ATOM 1091 CA ALA A 74 8.118 3.907 -12.247 1.00 0.00 C ATOM 1092 C ALA A 74 7.319 4.958 -13.035 1.00 0.00 C ATOM 1093 O ALA A 74 6.282 4.627 -13.605 1.00 0.00 O ATOM 1094 CB ALA A 74 7.450 3.593 -10.906 1.00 0.00 C ATOM 0 H ALA A 74 9.668 4.553 -11.014 1.00 0.00 H new ATOM 0 HA ALA A 74 8.140 3.008 -12.863 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.426 3.260 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.007 2.806 -10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.441 4.489 -10.286 1.00 0.00 H new ATOM 1100 N GLY A 75 7.779 6.213 -13.071 1.00 0.00 N ATOM 1101 CA GLY A 75 7.133 7.288 -13.805 1.00 0.00 C ATOM 1102 C GLY A 75 5.908 7.813 -13.062 1.00 0.00 C ATOM 1103 O GLY A 75 4.862 8.034 -13.668 1.00 0.00 O ATOM 0 H GLY A 75 8.624 6.507 -12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.842 8.101 -13.961 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.837 6.930 -14.791 1.00 0.00 H new ATOM 1107 N ILE A 76 6.025 8.018 -11.748 1.00 0.00 N ATOM 1108 CA ILE A 76 4.924 8.556 -10.957 1.00 0.00 C ATOM 1109 C ILE A 76 4.783 10.053 -11.249 1.00 0.00 C ATOM 1110 O ILE A 76 5.783 10.756 -11.381 1.00 0.00 O ATOM 1111 CB ILE A 76 5.165 8.278 -9.464 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.307 6.770 -9.197 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.022 8.853 -8.620 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.068 5.934 -9.514 1.00 0.00 C ATOM 0 H ILE A 76 6.871 7.819 -11.213 1.00 0.00 H new ATOM 0 HA ILE A 76 3.988 8.068 -11.229 1.00 0.00 H new ATOM 0 HB ILE A 76 6.097 8.766 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.142 6.390 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.564 6.626 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.209 8.647 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.962 9.930 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.081 8.391 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.270 4.886 -9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.231 6.279 -8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.818 6.040 -10.570 1.00 0.00 H new ATOM 1126 N THR A 77 3.537 10.526 -11.355 1.00 0.00 N ATOM 1127 CA THR A 77 3.210 11.904 -11.695 1.00 0.00 C ATOM 1128 C THR A 77 2.306 12.546 -10.634 1.00 0.00 C ATOM 1129 O THR A 77 2.786 13.252 -9.752 1.00 0.00 O ATOM 1130 CB THR A 77 2.546 11.909 -13.084 1.00 0.00 C ATOM 1131 OG1 THR A 77 1.462 10.995 -13.094 1.00 0.00 O ATOM 1132 CG2 THR A 77 3.545 11.498 -14.171 1.00 0.00 C ATOM 0 H THR A 77 2.713 9.944 -11.202 1.00 0.00 H new ATOM 0 HA THR A 77 4.120 12.504 -11.721 1.00 0.00 H new ATOM 0 HB THR A 77 2.194 12.920 -13.289 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.038 11.000 -13.978 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.051 11.510 -15.142 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.381 12.198 -14.181 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.915 10.494 -13.964 1.00 0.00 H new ATOM 1140 N ALA A 78 0.992 12.343 -10.747 1.00 0.00 N ATOM 1141 CA ALA A 78 -0.011 12.930 -9.868 1.00 0.00 C ATOM 1142 C ALA A 78 -0.308 12.020 -8.673 1.00 0.00 C ATOM 1143 O ALA A 78 -1.250 11.229 -8.727 1.00 0.00 O ATOM 1144 CB ALA A 78 -1.276 13.218 -10.683 1.00 0.00 C ATOM 0 H ALA A 78 0.590 11.750 -11.473 1.00 0.00 H new ATOM 0 HA ALA A 78 0.372 13.865 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.034 13.658 -10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.039 13.913 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.656 12.288 -11.106 1.00 0.00 H new ATOM 1150 N MET A 79 0.482 12.140 -7.599 1.00 0.00 N ATOM 1151 CA MET A 79 0.276 11.379 -6.369 1.00 0.00 C ATOM 1152 C MET A 79 -1.088 11.753 -5.756 1.00 0.00 C ATOM 1153 O MET A 79 -1.460 12.926 -5.824 1.00 0.00 O ATOM 1154 CB MET A 79 1.379 11.682 -5.336 1.00 0.00 C ATOM 1155 CG MET A 79 2.775 11.194 -5.743 1.00 0.00 C ATOM 1156 SD MET A 79 3.658 12.196 -6.963 1.00 0.00 S ATOM 1157 CE MET A 79 4.270 13.547 -5.934 1.00 0.00 C ATOM 0 H MET A 79 1.283 12.770 -7.562 1.00 0.00 H new ATOM 0 HA MET A 79 0.307 10.318 -6.619 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.418 12.758 -5.168 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.108 11.221 -4.386 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.389 11.131 -4.845 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.681 10.182 -6.137 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.598 14.369 -6.570 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.473 13.893 -5.276 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.109 13.196 -5.334 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.830 10.828 -5.118 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.530 9.410 -4.956 1.00 0.00 C ATOM 1169 C PRO A 80 -1.500 8.685 -6.297 1.00 0.00 C ATOM 1170 O PRO A 80 -2.115 9.128 -7.261 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.659 8.837 -4.093 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.171 10.050 -3.325 1.00 0.00 C ATOM 1173 CD PRO A 80 -3.013 11.172 -4.349 1.00 0.00 C ATOM 0 HA PRO A 80 -0.548 9.279 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.443 8.389 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.295 8.060 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.208 9.926 -3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.588 10.237 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.891 11.245 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.895 12.138 -3.858 1.00 0.00 H new ATOM 1181 N THR A 81 -0.746 7.596 -6.404 1.00 0.00 N ATOM 1182 CA THR A 81 -0.679 6.835 -7.637 1.00 0.00 C ATOM 1183 C THR A 81 -0.529 5.359 -7.283 1.00 0.00 C ATOM 1184 O THR A 81 0.476 4.941 -6.713 1.00 0.00 O ATOM 1185 CB THR A 81 0.460 7.372 -8.509 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.192 8.704 -8.914 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.633 6.527 -9.773 1.00 0.00 C ATOM 0 H THR A 81 -0.173 7.223 -5.647 1.00 0.00 H new ATOM 0 HA THR A 81 -1.591 6.941 -8.225 1.00 0.00 H new ATOM 0 HB THR A 81 1.368 7.331 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.673 8.988 -8.552 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.448 6.932 -10.372 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.863 5.499 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.289 6.548 -10.354 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.546 4.575 -7.627 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.629 3.161 -7.333 1.00 0.00 C ATOM 1197 C PHE A 82 -1.157 2.365 -8.542 1.00 0.00 C ATOM 1198 O PHE A 82 -1.748 2.515 -9.610 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.079 2.820 -6.984 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.622 3.700 -5.878 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.206 3.480 -4.554 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.362 4.855 -6.196 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.550 4.397 -3.548 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.676 5.786 -5.194 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.270 5.554 -3.869 1.00 0.00 C ATOM 0 H PHE A 82 -2.359 4.925 -8.135 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.991 2.906 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.701 2.931 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.142 1.775 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.621 2.605 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.688 5.024 -7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.259 4.210 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.229 6.680 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.514 6.269 -3.097 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.104 1.554 -8.399 1.00 0.00 N ATOM 1216 CA HIS A 83 0.377 0.681 -9.474 1.00 0.00 C ATOM 1217 C HIS A 83 0.105 -0.773 -9.094 1.00 0.00 C ATOM 1218 O HIS A 83 0.374 -1.148 -7.955 1.00 0.00 O ATOM 1219 CB HIS A 83 1.882 0.868 -9.675 1.00 0.00 C ATOM 1220 CG HIS A 83 2.303 2.087 -10.444 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.597 2.182 -10.954 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.591 3.197 -10.817 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.589 3.307 -11.674 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.412 3.950 -11.629 1.00 0.00 N ATOM 0 H HIS A 83 0.437 1.484 -7.537 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.142 0.936 -10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.357 0.901 -8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.271 -0.012 -10.188 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.578 3.437 -10.529 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.441 3.662 -12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.173 4.822 -12.101 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.415 -1.595 -10.012 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.683 -3.005 -9.747 1.00 0.00 C ATOM 1234 C VAL A 84 0.423 -3.841 -10.408 1.00 0.00 C ATOM 1235 O VAL A 84 0.466 -3.927 -11.637 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.080 -3.397 -10.259 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.445 -4.773 -9.688 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.155 -2.391 -9.819 1.00 0.00 C ATOM 0 H VAL A 84 -0.660 -1.298 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.678 -3.195 -8.674 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.047 -3.411 -11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.434 -5.064 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.711 -5.509 -10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.450 -4.725 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.126 -2.705 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.190 -2.349 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.912 -1.404 -10.212 1.00 0.00 H new ATOM 1248 N TYR A 85 1.309 -4.451 -9.608 1.00 0.00 N ATOM 1249 CA TYR A 85 2.432 -5.237 -10.126 1.00 0.00 C ATOM 1250 C TYR A 85 2.199 -6.743 -9.956 1.00 0.00 C ATOM 1251 O TYR A 85 2.437 -7.299 -8.887 1.00 0.00 O ATOM 1252 CB TYR A 85 3.748 -4.817 -9.461 1.00 0.00 C ATOM 1253 CG TYR A 85 4.230 -3.435 -9.844 1.00 0.00 C ATOM 1254 CD1 TYR A 85 5.053 -3.256 -10.972 1.00 0.00 C ATOM 1255 CD2 TYR A 85 3.930 -2.338 -9.020 1.00 0.00 C ATOM 1256 CE1 TYR A 85 5.561 -1.981 -11.277 1.00 0.00 C ATOM 1257 CE2 TYR A 85 4.487 -1.079 -9.294 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.250 -0.886 -10.455 1.00 0.00 C ATOM 1259 OH TYR A 85 5.687 0.361 -10.789 1.00 0.00 O ATOM 0 H TYR A 85 1.266 -4.413 -8.590 1.00 0.00 H new ATOM 0 HA TYR A 85 2.503 -5.033 -11.194 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.623 -4.858 -8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.519 -5.542 -9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.294 -4.098 -11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.270 -2.463 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.191 -1.844 -12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.328 -0.258 -8.610 1.00 0.00 H new ATOM 0 HH TYR A 85 5.018 1.025 -10.520 1.00 0.00 H new ATOM 1269 N LYS A 86 1.731 -7.414 -11.010 1.00 0.00 N ATOM 1270 CA LYS A 86 1.597 -8.869 -11.030 1.00 0.00 C ATOM 1271 C LYS A 86 2.907 -9.460 -11.571 1.00 0.00 C ATOM 1272 O LYS A 86 3.919 -8.770 -11.649 1.00 0.00 O ATOM 1273 CB LYS A 86 0.396 -9.240 -11.915 1.00 0.00 C ATOM 1274 CG LYS A 86 -0.922 -8.904 -11.215 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.097 -9.203 -12.153 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.420 -9.187 -11.385 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.622 -10.423 -10.607 1.00 0.00 N ATOM 0 H LYS A 86 1.434 -6.962 -11.875 1.00 0.00 H new ATOM 0 HA LYS A 86 1.419 -9.272 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.457 -8.703 -12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.427 -10.304 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.018 -9.488 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.934 -7.853 -10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.127 -8.464 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.955 -10.176 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.439 -8.329 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.245 -9.061 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.459 -10.317 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.765 -11.223 -11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.785 -10.602 -10.017 1.00 0.00 H new ATOM 1291 N ASP A 87 2.906 -10.737 -11.957 1.00 0.00 N ATOM 1292 CA ASP A 87 4.019 -11.347 -12.681 1.00 0.00 C ATOM 1293 C ASP A 87 4.047 -10.749 -14.065 1.00 0.00 C ATOM 1294 O ASP A 87 5.102 -10.444 -14.610 1.00 0.00 O ATOM 1295 CB ASP A 87 3.850 -12.845 -12.788 1.00 0.00 C ATOM 1296 CG ASP A 87 2.531 -13.324 -13.405 1.00 0.00 C ATOM 1297 OD1 ASP A 87 1.509 -12.624 -13.210 1.00 0.00 O ATOM 1298 OD2 ASP A 87 2.575 -14.362 -14.097 1.00 0.00 O ATOM 0 H ASP A 87 2.132 -11.377 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 87 4.948 -11.154 -12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.673 -13.243 -13.382 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.940 -13.274 -11.790 1.00 0.00 H new ATOM 1303 N GLY A 88 2.852 -10.503 -14.592 1.00 0.00 N ATOM 1304 CA GLY A 88 2.643 -9.672 -15.773 1.00 0.00 C ATOM 1305 C GLY A 88 2.828 -8.192 -15.378 1.00 0.00 C ATOM 1306 O GLY A 88 2.069 -7.329 -15.813 1.00 0.00 O ATOM 0 H GLY A 88 1.988 -10.881 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.350 -9.945 -16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.643 -9.833 -16.176 1.00 0.00 H new ATOM 1310 N VAL A 89 3.850 -7.939 -14.549 1.00 0.00 N ATOM 1311 CA VAL A 89 4.338 -6.726 -13.922 1.00 0.00 C ATOM 1312 C VAL A 89 3.295 -5.621 -13.846 1.00 0.00 C ATOM 1313 O VAL A 89 2.199 -5.884 -13.350 1.00 0.00 O ATOM 1314 CB VAL A 89 5.721 -6.444 -14.525 1.00 0.00 C ATOM 1315 CG1 VAL A 89 6.581 -7.700 -14.232 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.687 -6.154 -16.033 1.00 0.00 C ATOM 0 H VAL A 89 4.442 -8.720 -14.265 1.00 0.00 H new ATOM 0 HA VAL A 89 4.505 -6.828 -12.850 1.00 0.00 H new ATOM 0 HB VAL A 89 6.134 -5.541 -14.076 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.582 -7.559 -14.639 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.646 -7.853 -13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.121 -8.572 -14.696 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.699 -5.964 -16.390 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.272 -7.013 -16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.066 -5.278 -16.221 1.00 0.00 H new ATOM 1326 N LYS A 90 3.673 -4.390 -14.191 1.00 0.00 N ATOM 1327 CA LYS A 90 2.818 -3.205 -14.166 1.00 0.00 C ATOM 1328 C LYS A 90 1.600 -3.447 -15.070 1.00 0.00 C ATOM 1329 O LYS A 90 1.544 -2.979 -16.205 1.00 0.00 O ATOM 1330 CB LYS A 90 3.653 -1.989 -14.601 1.00 0.00 C ATOM 1331 CG LYS A 90 2.935 -0.662 -14.318 1.00 0.00 C ATOM 1332 CD LYS A 90 3.677 0.549 -14.902 1.00 0.00 C ATOM 1333 CE LYS A 90 5.063 0.756 -14.279 1.00 0.00 C ATOM 1334 NZ LYS A 90 5.697 1.993 -14.769 1.00 0.00 N ATOM 0 H LYS A 90 4.620 -4.184 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 90 2.440 -3.005 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.609 -2.001 -14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.871 -2.062 -15.666 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.929 -0.702 -14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.829 -0.533 -13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.784 0.419 -15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.077 1.446 -14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.972 0.798 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.699 -0.097 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.680 1.794 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.172 2.349 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.687 2.710 -14.016 1.00 0.00 H new ATOM 1348 N ALA A 91 0.625 -4.191 -14.551 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.544 -4.639 -15.285 1.00 0.00 C ATOM 1350 C ALA A 91 -1.594 -3.540 -15.392 1.00 0.00 C ATOM 1351 O ALA A 91 -2.381 -3.529 -16.335 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.129 -5.864 -14.576 1.00 0.00 C ATOM 0 H ALA A 91 0.632 -4.505 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.244 -4.899 -16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.009 -6.212 -15.117 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.383 -6.658 -14.547 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.412 -5.595 -13.558 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.638 -2.644 -14.405 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.608 -1.565 -14.346 1.00 0.00 C ATOM 1360 C ASP A 92 -2.052 -0.475 -13.443 1.00 0.00 C ATOM 1361 O ASP A 92 -1.205 -0.770 -12.599 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.924 -2.112 -13.785 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.151 -1.315 -14.209 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -5.000 -0.098 -14.449 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.225 -1.954 -14.286 1.00 0.00 O ATOM 0 H ASP A 92 -0.990 -2.653 -13.617 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.796 -1.152 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.044 -3.146 -14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.868 -2.123 -12.697 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.531 0.758 -13.606 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.111 1.904 -12.817 1.00 0.00 C ATOM 1372 C ASP A 93 -3.302 2.838 -12.658 1.00 0.00 C ATOM 1373 O ASP A 93 -4.228 2.806 -13.466 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.970 2.676 -13.491 1.00 0.00 C ATOM 1375 CG ASP A 93 0.211 1.804 -13.895 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.875 1.278 -12.978 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.441 1.689 -15.117 1.00 0.00 O ATOM 0 H ASP A 93 -3.236 0.987 -14.306 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.751 1.543 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.358 3.178 -14.377 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.620 3.453 -12.812 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.259 3.696 -11.641 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.324 4.641 -11.347 1.00 0.00 C ATOM 1384 C LEU A 94 -3.763 5.831 -10.572 1.00 0.00 C ATOM 1385 O LEU A 94 -3.385 5.688 -9.413 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.412 3.908 -10.550 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.552 4.812 -10.063 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.240 5.514 -11.240 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.557 3.955 -9.286 1.00 0.00 C ATOM 0 H LEU A 94 -2.473 3.752 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.760 5.030 -12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.831 3.117 -11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.952 3.426 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.146 5.588 -9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.044 6.148 -10.866 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.513 6.126 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.653 4.767 -11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.374 4.583 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.953 3.177 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.059 3.494 -8.433 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.697 7.000 -11.214 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.221 8.237 -10.609 1.00 0.00 C ATOM 1403 C VAL A 95 -4.356 8.937 -9.849 1.00 0.00 C ATOM 1404 O VAL A 95 -5.530 8.591 -10.012 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.633 9.163 -11.692 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.394 8.544 -12.348 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.651 9.543 -12.778 1.00 0.00 C ATOM 0 H VAL A 95 -3.980 7.111 -12.188 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.434 7.998 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.349 10.077 -11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.006 9.224 -13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.630 8.371 -11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.664 7.597 -12.814 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.175 10.196 -13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.008 8.640 -13.274 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.493 10.063 -12.321 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.010 9.953 -9.053 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.970 10.742 -8.301 1.00 0.00 C ATOM 1419 C GLY A 96 -5.516 9.987 -7.091 1.00 0.00 C ATOM 1420 O GLY A 96 -5.165 8.836 -6.840 1.00 0.00 O ATOM 0 H GLY A 96 -3.043 10.248 -8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.497 11.666 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.796 11.025 -8.954 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.384 10.660 -6.326 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.004 10.113 -5.124 1.00 0.00 C ATOM 1426 C ALA A 97 -7.663 8.768 -5.435 1.00 0.00 C ATOM 1427 O ALA A 97 -7.329 7.753 -4.835 1.00 0.00 O ATOM 1428 CB ALA A 97 -8.018 11.129 -4.582 1.00 0.00 C ATOM 0 H ALA A 97 -6.677 11.615 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.248 9.934 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.488 10.730 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.506 12.061 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.781 11.319 -5.336 1.00 0.00 H new ATOM 1434 N SER A 98 -8.608 8.802 -6.376 1.00 0.00 N ATOM 1435 CA SER A 98 -9.312 7.709 -7.038 1.00 0.00 C ATOM 1436 C SER A 98 -9.616 6.418 -6.246 1.00 0.00 C ATOM 1437 O SER A 98 -9.898 5.395 -6.871 1.00 0.00 O ATOM 1438 CB SER A 98 -8.472 7.391 -8.279 1.00 0.00 C ATOM 1439 OG SER A 98 -8.101 8.597 -8.933 1.00 0.00 O ATOM 0 H SER A 98 -8.933 9.701 -6.731 1.00 0.00 H new ATOM 0 HA SER A 98 -10.324 8.066 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.580 6.833 -7.992 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.039 6.757 -8.960 1.00 0.00 H new ATOM 0 HG SER A 98 -7.194 8.508 -9.294 1.00 0.00 H new ATOM 1445 N GLN A 99 -9.640 6.437 -4.909 1.00 0.00 N ATOM 1446 CA GLN A 99 -9.898 5.259 -4.084 1.00 0.00 C ATOM 1447 C GLN A 99 -11.177 4.528 -4.516 1.00 0.00 C ATOM 1448 O GLN A 99 -11.205 3.301 -4.581 1.00 0.00 O ATOM 1449 CB GLN A 99 -9.927 5.637 -2.591 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.002 6.649 -2.162 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.799 8.035 -2.769 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -9.673 8.502 -2.907 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -11.873 8.689 -3.190 1.00 0.00 N ATOM 0 H GLN A 99 -9.478 7.285 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.076 4.559 -4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.066 4.725 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.951 6.041 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.983 6.272 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.001 6.732 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.800 8.282 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.772 9.599 -3.639 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.231 5.275 -4.850 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.493 4.695 -5.293 1.00 0.00 C ATOM 1464 C ASP A 100 -13.289 3.789 -6.510 1.00 0.00 C ATOM 1465 O ASP A 100 -13.954 2.764 -6.627 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.498 5.811 -5.604 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.943 6.526 -4.332 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -14.115 7.292 -3.792 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -16.094 6.282 -3.913 1.00 0.00 O ATOM 0 H ASP A 100 -12.231 6.295 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.891 4.076 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.047 6.529 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.367 5.390 -6.110 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.376 4.155 -7.416 1.00 0.00 N ATOM 1475 CA LYS A 101 -12.076 3.342 -8.586 1.00 0.00 C ATOM 1476 C LYS A 101 -11.102 2.228 -8.185 1.00 0.00 C ATOM 1477 O LYS A 101 -11.235 1.099 -8.660 1.00 0.00 O ATOM 1478 CB LYS A 101 -11.525 4.235 -9.706 1.00 0.00 C ATOM 1479 CG LYS A 101 -11.486 3.478 -11.043 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.911 4.321 -12.189 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.774 5.544 -12.517 1.00 0.00 C ATOM 1482 NZ LYS A 101 -11.279 6.242 -13.717 1.00 0.00 N ATOM 0 H LYS A 101 -11.832 5.016 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.979 2.868 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.146 5.125 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.522 4.574 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.887 2.575 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.495 3.159 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.907 4.651 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.816 3.699 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.806 5.232 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.775 6.229 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.883 7.065 -13.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.302 6.560 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.302 5.594 -14.530 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.138 2.536 -7.303 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.177 1.561 -6.789 1.00 0.00 C ATOM 1498 C LEU A 102 -9.911 0.284 -6.389 1.00 0.00 C ATOM 1499 O LEU A 102 -9.540 -0.800 -6.827 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.435 2.119 -5.566 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.266 1.241 -5.107 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.080 1.296 -6.075 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.790 1.744 -3.746 1.00 0.00 C ATOM 0 H LEU A 102 -10.007 3.475 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.451 1.346 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.060 3.115 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.140 2.230 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.621 0.211 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.278 0.657 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.396 0.948 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.720 2.322 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.957 1.131 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.465 2.781 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.608 1.680 -3.028 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.965 0.431 -5.579 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.816 -0.665 -5.129 1.00 0.00 C ATOM 1517 C LYS A 103 -12.114 -1.657 -6.263 1.00 0.00 C ATOM 1518 O LYS A 103 -11.905 -2.866 -6.112 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.136 -0.088 -4.602 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.000 0.695 -3.290 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.322 1.367 -2.891 1.00 0.00 C ATOM 1522 CE LYS A 103 -15.463 0.382 -2.599 1.00 0.00 C ATOM 1523 NZ LYS A 103 -15.106 -0.588 -1.549 1.00 0.00 N ATOM 0 H LYS A 103 -11.253 1.338 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.289 -1.204 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.562 0.568 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.843 -0.904 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.680 0.021 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.224 1.453 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.152 1.982 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.632 2.038 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.350 0.937 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.722 -0.153 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.942 -1.155 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.353 -1.215 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.771 -0.079 -0.706 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.606 -1.123 -7.386 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.991 -1.888 -8.560 1.00 0.00 C ATOM 1539 C ALA A 104 -11.764 -2.501 -9.232 1.00 0.00 C ATOM 1540 O ALA A 104 -11.807 -3.657 -9.647 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.751 -0.986 -9.537 1.00 0.00 C ATOM 0 H ALA A 104 -12.748 -0.119 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.645 -2.704 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.038 -1.563 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.645 -0.595 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.111 -0.157 -9.840 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.670 -1.741 -9.356 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.455 -2.286 -9.949 1.00 0.00 C ATOM 1549 C LEU A 105 -8.988 -3.496 -9.140 1.00 0.00 C ATOM 1550 O LEU A 105 -8.714 -4.548 -9.711 1.00 0.00 O ATOM 1551 CB LEU A 105 -8.340 -1.238 -10.027 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.642 -0.056 -10.961 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -7.362 0.771 -11.119 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -9.121 -0.492 -12.351 1.00 0.00 C ATOM 0 H LEU A 105 -10.605 -0.767 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.685 -2.593 -10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.149 -0.854 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.424 -1.725 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.450 0.521 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.554 1.617 -11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.043 1.138 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.577 0.148 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.317 0.390 -12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.351 -1.099 -12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.036 -1.077 -12.254 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.903 -3.370 -7.815 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.493 -4.492 -6.982 1.00 0.00 C ATOM 1568 C VAL A 106 -9.446 -5.661 -7.215 1.00 0.00 C ATOM 1569 O VAL A 106 -8.994 -6.780 -7.435 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.424 -4.092 -5.500 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.933 -5.275 -4.655 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.424 -2.951 -5.304 1.00 0.00 C ATOM 0 H VAL A 106 -9.111 -2.512 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.486 -4.802 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.424 -3.785 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.888 -4.980 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.622 -6.113 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.940 -5.574 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.386 -2.678 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.436 -3.273 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.737 -2.088 -5.891 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.755 -5.399 -7.202 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.762 -6.438 -7.430 1.00 0.00 C ATOM 1584 C ALA A 107 -11.456 -7.197 -8.726 1.00 0.00 C ATOM 1585 O ALA A 107 -11.355 -8.422 -8.722 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.170 -5.833 -7.486 1.00 0.00 C ATOM 0 H ALA A 107 -11.144 -4.471 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.726 -7.138 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.900 -6.625 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.389 -5.334 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.223 -5.110 -8.300 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.294 -6.459 -9.826 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.965 -7.003 -11.136 1.00 0.00 C ATOM 1594 C LYS A 108 -9.693 -7.851 -11.046 1.00 0.00 C ATOM 1595 O LYS A 108 -9.704 -9.053 -11.305 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.800 -5.821 -12.112 1.00 0.00 C ATOM 1597 CG LYS A 108 -10.248 -6.193 -13.498 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.885 -4.948 -14.320 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.076 -4.015 -14.562 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.704 -2.896 -15.445 1.00 0.00 N ATOM 0 H LYS A 108 -11.391 -5.444 -9.826 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.758 -7.657 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.769 -5.339 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.136 -5.085 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.365 -6.821 -13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.989 -6.782 -14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.099 -4.397 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.476 -5.261 -15.281 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.897 -4.577 -15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.436 -3.626 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.529 -2.280 -15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.937 -2.348 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.383 -3.269 -16.361 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.585 -7.211 -10.677 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.274 -7.839 -10.647 1.00 0.00 C ATOM 1616 C HIS A 109 -7.195 -9.002 -9.651 1.00 0.00 C ATOM 1617 O HIS A 109 -6.342 -9.873 -9.807 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.222 -6.758 -10.392 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.963 -5.954 -11.641 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.050 -6.398 -12.597 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.578 -4.824 -12.113 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.153 -5.523 -13.600 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.043 -4.550 -13.350 1.00 0.00 N ATOM 0 H HIS A 109 -8.577 -6.233 -10.388 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.076 -8.301 -11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.560 -6.098 -9.593 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.295 -7.220 -10.053 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.342 -4.253 -11.607 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.582 -5.591 -14.514 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.276 -3.764 -13.957 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.071 -9.047 -8.644 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.116 -10.141 -7.684 1.00 0.00 C ATOM 1633 C ALA A 110 -8.845 -11.366 -8.240 1.00 0.00 C ATOM 1634 O ALA A 110 -8.857 -12.401 -7.575 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.782 -9.661 -6.390 1.00 0.00 C ATOM 0 H ALA A 110 -8.768 -8.322 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.091 -10.448 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.815 -10.481 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.209 -8.834 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.797 -9.326 -6.606 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.438 -11.301 -9.439 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.136 -12.446 -10.018 1.00 0.00 C ATOM 1643 C ALA A 111 -9.148 -13.452 -10.630 1.00 0.00 C ATOM 1644 O ALA A 111 -9.332 -13.881 -11.768 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.138 -11.935 -11.061 1.00 0.00 C ATOM 0 H ALA A 111 -9.446 -10.465 -10.024 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.674 -12.978 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.667 -12.780 -11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.855 -11.269 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.605 -11.393 -11.842 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.111 -13.839 -9.880 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.080 -14.785 -10.278 1.00 0.00 C ATOM 1653 C ALA A 112 -6.207 -15.050 -9.056 1.00 0.00 C ATOM 1654 O ALA A 112 -5.871 -16.228 -8.802 1.00 0.00 O ATOM 1655 CB ALA A 112 -6.224 -14.209 -11.413 1.00 0.00 C ATOM 1656 OXT ALA A 112 -5.862 -14.048 -8.393 1.00 0.00 O ATOM 0 H ALA A 112 -7.967 -13.481 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.536 -15.706 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.459 -14.933 -11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.857 -13.996 -12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -5.746 -13.289 -11.077 1.00 0.00 H new TER 1662 ALA A 112