USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 836 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 16 GLN : amide:sc= -1.23 K(o=-3.1,f=0.52) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -1.89 K(o=-3.1,f=-6.6!) USER MOD Set 2.1: A 40 THR OG1 : rot -178:sc= 1.36 USER MOD Set 2.2: A 51 TYR OH : rot -81:sc= 1.18 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.442 K(o=3,f=-0.73!) USER MOD Set 3.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= 0.59 USER MOD Set 4.2: A 91 TYR OH : rot 29:sc= 0.647 USER MOD Set 5.1: A 35 THR OG1 : rot -63:sc= -0.501 USER MOD Set 5.2: A 74 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -23:sc= 0.703 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 120:sc= 0.0185 USER MOD Single : A 6 SER OG : rot 27:sc= 1 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 23 ASN : amide:sc= -0.926 K(o=-0.93,f=-3.8!) USER MOD Single : A 27 TYR OH : rot -30:sc= -0.145 USER MOD Single : A 30 SER OG : rot 20:sc= 0.315 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.951 X(o=-0.95,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.064) USER MOD Single : A 50 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 156:sc= -0.152 (180deg=-0.731) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00416) USER MOD Single : A 60 THR OG1 : rot 75:sc= 0.234 USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -0.196 (180deg=-1.11) USER MOD Single : A 64 GLN : amide:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.011 USER MOD Single : A 84 TYR OH : rot 130:sc= 0.00163 USER MOD Single : A 85 SER OG : rot -150:sc= -0.802 USER MOD Single : A 92 ASN : amide:sc= -7.54! C(o=-7.5!,f=-15!) USER MOD Single : A 93 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.59!) USER MOD Single : A 99 SER OG : rot -120:sc= -0.01 USER MOD Single : A 100 THR OG1 : rot -97:sc= 1.18 USER MOD Single : A 107 THR OG1 : rot 175:sc= 1.26 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -102:sc= 0.0324 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.199 -23.766 -11.496 1.00 0.00 N ATOM 2 CA GLY A 1 -4.841 -23.248 -10.189 1.00 0.00 C ATOM 3 C GLY A 1 -4.742 -24.338 -9.140 1.00 0.00 C ATOM 4 O GLY A 1 -3.709 -24.997 -9.017 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.254 -22.982 -12.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.478 -24.447 -11.809 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.122 -24.241 -11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.886 -22.726 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.584 -22.514 -9.877 1.00 0.00 H new ATOM 8 N SER A 2 -5.817 -24.528 -8.383 1.00 0.00 N ATOM 9 CA SER A 2 -5.844 -25.543 -7.336 1.00 0.00 C ATOM 10 C SER A 2 -4.569 -25.496 -6.500 1.00 0.00 C ATOM 11 O SER A 2 -3.998 -26.532 -6.160 1.00 0.00 O ATOM 12 CB SER A 2 -6.015 -26.934 -7.949 1.00 0.00 C ATOM 13 OG SER A 2 -4.812 -27.376 -8.553 1.00 0.00 O ATOM 0 H SER A 2 -6.681 -23.993 -8.475 1.00 0.00 H new ATOM 0 HA SER A 2 -6.692 -25.334 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.319 -27.640 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.812 -26.912 -8.692 1.00 0.00 H new ATOM 0 HG SER A 2 -4.258 -26.601 -8.783 1.00 0.00 H new ATOM 19 N SER A 3 -4.127 -24.286 -6.173 1.00 0.00 N ATOM 20 CA SER A 3 -2.917 -24.102 -5.380 1.00 0.00 C ATOM 21 C SER A 3 -1.759 -24.907 -5.962 1.00 0.00 C ATOM 22 O SER A 3 -0.987 -25.524 -5.230 1.00 0.00 O ATOM 23 CB SER A 3 -3.164 -24.519 -3.929 1.00 0.00 C ATOM 24 OG SER A 3 -4.061 -23.628 -3.289 1.00 0.00 O ATOM 0 H SER A 3 -4.589 -23.418 -6.445 1.00 0.00 H new ATOM 0 HA SER A 3 -2.652 -23.045 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.569 -25.530 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.218 -24.540 -3.387 1.00 0.00 H new ATOM 0 HG SER A 3 -4.204 -23.917 -2.363 1.00 0.00 H new ATOM 30 N GLY A 4 -1.645 -24.895 -7.287 1.00 0.00 N ATOM 31 CA GLY A 4 -0.579 -25.627 -7.947 1.00 0.00 C ATOM 32 C GLY A 4 0.534 -24.719 -8.431 1.00 0.00 C ATOM 33 O GLY A 4 0.336 -23.912 -9.339 1.00 0.00 O ATOM 0 H GLY A 4 -2.272 -24.392 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.168 -26.365 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.990 -26.176 -8.794 1.00 0.00 H new ATOM 37 N SER A 5 1.709 -24.849 -7.822 1.00 0.00 N ATOM 38 CA SER A 5 2.857 -24.030 -8.193 1.00 0.00 C ATOM 39 C SER A 5 4.125 -24.875 -8.270 1.00 0.00 C ATOM 40 O SER A 5 4.261 -25.875 -7.565 1.00 0.00 O ATOM 41 CB SER A 5 3.047 -22.895 -7.185 1.00 0.00 C ATOM 42 OG SER A 5 2.296 -21.752 -7.557 1.00 0.00 O ATOM 0 H SER A 5 1.891 -25.514 -7.070 1.00 0.00 H new ATOM 0 HA SER A 5 2.665 -23.604 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.740 -23.229 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.103 -22.635 -7.120 1.00 0.00 H new ATOM 0 HG SER A 5 1.655 -21.537 -6.848 1.00 0.00 H new ATOM 48 N SER A 6 5.051 -24.465 -9.131 1.00 0.00 N ATOM 49 CA SER A 6 6.307 -25.186 -9.303 1.00 0.00 C ATOM 50 C SER A 6 7.345 -24.308 -9.996 1.00 0.00 C ATOM 51 O SER A 6 7.270 -24.072 -11.201 1.00 0.00 O ATOM 52 CB SER A 6 6.079 -26.463 -10.114 1.00 0.00 C ATOM 53 OG SER A 6 5.645 -27.525 -9.282 1.00 0.00 O ATOM 0 H SER A 6 4.955 -23.638 -9.720 1.00 0.00 H new ATOM 0 HA SER A 6 6.683 -25.454 -8.316 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.336 -26.277 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.002 -26.747 -10.619 1.00 0.00 H new ATOM 0 HG SER A 6 5.183 -27.159 -8.499 1.00 0.00 H new ATOM 59 N GLY A 7 8.315 -23.828 -9.223 1.00 0.00 N ATOM 60 CA GLY A 7 9.355 -22.982 -9.779 1.00 0.00 C ATOM 61 C GLY A 7 8.997 -21.511 -9.723 1.00 0.00 C ATOM 62 O GLY A 7 8.659 -20.908 -10.742 1.00 0.00 O ATOM 0 H GLY A 7 8.399 -24.010 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.284 -23.148 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.538 -23.269 -10.815 1.00 0.00 H new ATOM 66 N ARG A 8 9.070 -20.930 -8.530 1.00 0.00 N ATOM 67 CA ARG A 8 8.748 -19.520 -8.345 1.00 0.00 C ATOM 68 C ARG A 8 9.921 -18.636 -8.756 1.00 0.00 C ATOM 69 O ARG A 8 10.861 -18.437 -7.986 1.00 0.00 O ATOM 70 CB ARG A 8 8.375 -19.247 -6.886 1.00 0.00 C ATOM 71 CG ARG A 8 7.204 -20.080 -6.391 1.00 0.00 C ATOM 72 CD ARG A 8 5.878 -19.375 -6.632 1.00 0.00 C ATOM 73 NE ARG A 8 4.745 -20.163 -6.154 1.00 0.00 N ATOM 74 CZ ARG A 8 4.316 -20.144 -4.897 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.922 -19.382 -3.997 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.278 -20.889 -4.538 1.00 0.00 N ATOM 0 H ARG A 8 9.349 -21.414 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 8 7.896 -19.281 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.242 -19.443 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.132 -18.190 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.202 -21.045 -6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.323 -20.280 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.885 -18.408 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.760 -19.179 -7.698 1.00 0.00 H new ATOM 0 HE ARG A 8 4.257 -20.760 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.720 -18.808 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.590 -19.370 -3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.809 -21.477 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.949 -20.874 -3.573 1.00 0.00 H new ATOM 90 N VAL A 9 9.860 -18.108 -9.974 1.00 0.00 N ATOM 91 CA VAL A 9 10.917 -17.245 -10.487 1.00 0.00 C ATOM 92 C VAL A 9 10.565 -15.774 -10.300 1.00 0.00 C ATOM 93 O VAL A 9 9.429 -15.363 -10.537 1.00 0.00 O ATOM 94 CB VAL A 9 11.184 -17.511 -11.981 1.00 0.00 C ATOM 95 CG1 VAL A 9 11.971 -18.800 -12.161 1.00 0.00 C ATOM 96 CG2 VAL A 9 9.875 -17.564 -12.754 1.00 0.00 C ATOM 0 H VAL A 9 9.089 -18.263 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 9 11.817 -17.476 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 9 11.781 -16.690 -12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.150 -18.972 -13.222 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.925 -18.719 -11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.402 -19.634 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.082 -17.753 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.251 -18.365 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.353 -16.613 -12.651 1.00 0.00 H new ATOM 106 N GLU A 10 11.546 -14.985 -9.872 1.00 0.00 N ATOM 107 CA GLU A 10 11.338 -13.559 -9.652 1.00 0.00 C ATOM 108 C GLU A 10 11.791 -12.750 -10.864 1.00 0.00 C ATOM 109 O GLU A 10 11.532 -11.550 -10.957 1.00 0.00 O ATOM 110 CB GLU A 10 12.095 -13.097 -8.405 1.00 0.00 C ATOM 111 CG GLU A 10 11.514 -11.845 -7.769 1.00 0.00 C ATOM 112 CD GLU A 10 11.946 -11.669 -6.327 1.00 0.00 C ATOM 113 OE1 GLU A 10 13.168 -11.668 -6.069 1.00 0.00 O ATOM 114 OE2 GLU A 10 11.061 -11.532 -5.455 1.00 0.00 O ATOM 0 H GLU A 10 12.492 -15.309 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 10 10.271 -13.392 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.093 -13.902 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.136 -12.910 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.822 -10.973 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.426 -11.890 -7.815 1.00 0.00 H new ATOM 121 N THR A 11 12.472 -13.416 -11.792 1.00 0.00 N ATOM 122 CA THR A 11 12.963 -12.760 -12.998 1.00 0.00 C ATOM 123 C THR A 11 13.364 -11.317 -12.714 1.00 0.00 C ATOM 124 O THR A 11 13.201 -10.441 -13.563 1.00 0.00 O ATOM 125 CB THR A 11 11.905 -12.777 -14.117 1.00 0.00 C ATOM 126 OG1 THR A 11 10.661 -12.269 -13.623 1.00 0.00 O ATOM 127 CG2 THR A 11 11.707 -14.187 -14.653 1.00 0.00 C ATOM 0 H THR A 11 12.696 -14.409 -11.731 1.00 0.00 H new ATOM 0 HA THR A 11 13.839 -13.319 -13.328 1.00 0.00 H new ATOM 0 HB THR A 11 12.258 -12.143 -14.930 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.994 -12.282 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.955 -14.174 -15.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.649 -14.559 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.374 -14.840 -13.846 1.00 0.00 H new ATOM 135 N GLN A 12 13.889 -11.078 -11.517 1.00 0.00 N ATOM 136 CA GLN A 12 14.313 -9.740 -11.122 1.00 0.00 C ATOM 137 C GLN A 12 14.967 -9.010 -12.291 1.00 0.00 C ATOM 138 O GLN A 12 16.088 -9.315 -12.696 1.00 0.00 O ATOM 139 CB GLN A 12 15.286 -9.817 -9.945 1.00 0.00 C ATOM 140 CG GLN A 12 16.280 -10.962 -10.051 1.00 0.00 C ATOM 141 CD GLN A 12 17.286 -10.968 -8.916 1.00 0.00 C ATOM 142 OE1 GLN A 12 17.588 -9.926 -8.334 1.00 0.00 O ATOM 143 NE2 GLN A 12 17.810 -12.145 -8.596 1.00 0.00 N ATOM 0 H GLN A 12 14.031 -11.793 -10.804 1.00 0.00 H new ATOM 0 HA GLN A 12 13.429 -9.181 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.833 -8.877 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.718 -9.925 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.739 -11.908 -10.057 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.810 -10.891 -11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.530 -12.983 -9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.492 -12.211 -7.841 1.00 0.00 H new ATOM 152 N PRO A 13 14.251 -8.021 -12.847 1.00 0.00 N ATOM 153 CA PRO A 13 14.742 -7.227 -13.977 1.00 0.00 C ATOM 154 C PRO A 13 15.890 -6.305 -13.582 1.00 0.00 C ATOM 155 O PRO A 13 16.245 -6.211 -12.407 1.00 0.00 O ATOM 156 CB PRO A 13 13.517 -6.408 -14.394 1.00 0.00 C ATOM 157 CG PRO A 13 12.686 -6.316 -13.161 1.00 0.00 C ATOM 158 CD PRO A 13 12.906 -7.603 -12.415 1.00 0.00 C ATOM 0 HA PRO A 13 15.143 -7.855 -14.773 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.805 -5.420 -14.752 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.972 -6.894 -15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.980 -5.459 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.633 -6.184 -13.409 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.858 -7.456 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.152 -8.349 -12.669 1.00 0.00 H new ATOM 166 N GLU A 14 16.465 -5.627 -14.570 1.00 0.00 N ATOM 167 CA GLU A 14 17.574 -4.712 -14.323 1.00 0.00 C ATOM 168 C GLU A 14 17.227 -3.722 -13.215 1.00 0.00 C ATOM 169 O GLU A 14 16.088 -3.667 -12.751 1.00 0.00 O ATOM 170 CB GLU A 14 17.935 -3.956 -15.603 1.00 0.00 C ATOM 171 CG GLU A 14 18.622 -4.820 -16.647 1.00 0.00 C ATOM 172 CD GLU A 14 19.981 -5.315 -16.193 1.00 0.00 C ATOM 173 OE1 GLU A 14 20.693 -4.551 -15.507 1.00 0.00 O ATOM 174 OE2 GLU A 14 20.333 -6.467 -16.522 1.00 0.00 O ATOM 0 H GLU A 14 16.182 -5.694 -15.548 1.00 0.00 H new ATOM 0 HA GLU A 14 18.433 -5.302 -14.003 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.027 -3.533 -16.034 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.587 -3.120 -15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.987 -5.675 -16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.737 -4.248 -17.568 1.00 0.00 H new ATOM 181 N VAL A 15 18.217 -2.941 -12.795 1.00 0.00 N ATOM 182 CA VAL A 15 18.017 -1.952 -11.743 1.00 0.00 C ATOM 183 C VAL A 15 17.587 -0.610 -12.324 1.00 0.00 C ATOM 184 O VAL A 15 18.293 0.389 -12.192 1.00 0.00 O ATOM 185 CB VAL A 15 19.298 -1.752 -10.910 1.00 0.00 C ATOM 186 CG1 VAL A 15 19.565 -2.970 -10.039 1.00 0.00 C ATOM 187 CG2 VAL A 15 20.484 -1.466 -11.819 1.00 0.00 C ATOM 0 H VAL A 15 19.166 -2.974 -13.167 1.00 0.00 H new ATOM 0 HA VAL A 15 17.227 -2.334 -11.096 1.00 0.00 H new ATOM 0 HB VAL A 15 19.155 -0.892 -10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 15 20.473 -2.810 -9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 15 18.724 -3.125 -9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 19.689 -3.849 -10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.380 -1.327 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 15 20.631 -2.305 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.291 -0.561 -12.395 1.00 0.00 H new ATOM 197 N GLN A 16 16.423 -0.596 -12.966 1.00 0.00 N ATOM 198 CA GLN A 16 15.899 0.624 -13.568 1.00 0.00 C ATOM 199 C GLN A 16 14.454 0.864 -13.141 1.00 0.00 C ATOM 200 O GLN A 16 13.607 1.227 -13.958 1.00 0.00 O ATOM 201 CB GLN A 16 15.986 0.545 -15.093 1.00 0.00 C ATOM 202 CG GLN A 16 15.255 -0.650 -15.683 1.00 0.00 C ATOM 203 CD GLN A 16 15.542 -0.840 -17.159 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.753 -0.436 -18.014 1.00 0.00 O ATOM 205 NE2 GLN A 16 16.677 -1.457 -17.467 1.00 0.00 N ATOM 0 H GLN A 16 15.826 -1.415 -13.082 1.00 0.00 H new ATOM 0 HA GLN A 16 16.506 1.460 -13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.574 1.459 -15.520 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.035 0.500 -15.387 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.544 -1.551 -15.142 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.182 -0.522 -15.539 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.302 -1.775 -16.726 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.924 -1.612 -18.444 1.00 0.00 H new ATOM 214 N LEU A 17 14.179 0.659 -11.858 1.00 0.00 N ATOM 215 CA LEU A 17 12.836 0.852 -11.323 1.00 0.00 C ATOM 216 C LEU A 17 12.785 2.071 -10.408 1.00 0.00 C ATOM 217 O LEU A 17 13.807 2.555 -9.919 1.00 0.00 O ATOM 218 CB LEU A 17 12.387 -0.394 -10.557 1.00 0.00 C ATOM 219 CG LEU A 17 11.685 -1.472 -11.383 1.00 0.00 C ATOM 220 CD1 LEU A 17 10.362 -0.954 -11.924 1.00 0.00 C ATOM 221 CD2 LEU A 17 12.582 -1.941 -12.520 1.00 0.00 C ATOM 0 H LEU A 17 14.868 0.359 -11.169 1.00 0.00 H new ATOM 0 HA LEU A 17 12.158 1.020 -12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.262 -0.840 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.715 -0.082 -9.757 1.00 0.00 H new ATOM 0 HG LEU A 17 11.479 -2.323 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.877 -1.735 -12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.716 -0.669 -11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.543 -0.086 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.066 -2.708 -13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.819 -1.097 -13.168 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.504 -2.354 -12.110 1.00 0.00 H new ATOM 233 N PRO A 18 11.568 2.581 -10.167 1.00 0.00 N ATOM 234 CA PRO A 18 11.354 3.748 -9.307 1.00 0.00 C ATOM 235 C PRO A 18 11.624 3.443 -7.838 1.00 0.00 C ATOM 236 O PRO A 18 11.813 2.288 -7.458 1.00 0.00 O ATOM 237 CB PRO A 18 9.875 4.080 -9.521 1.00 0.00 C ATOM 238 CG PRO A 18 9.253 2.791 -9.935 1.00 0.00 C ATOM 239 CD PRO A 18 10.306 2.055 -10.716 1.00 0.00 C ATOM 0 HA PRO A 18 12.029 4.567 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.419 4.464 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.748 4.845 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.937 2.214 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.365 2.964 -10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.227 0.976 -10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.222 2.248 -11.785 1.00 0.00 H new ATOM 247 N GLY A 19 11.640 4.487 -7.014 1.00 0.00 N ATOM 248 CA GLY A 19 11.887 4.309 -5.596 1.00 0.00 C ATOM 249 C GLY A 19 10.606 4.206 -4.792 1.00 0.00 C ATOM 250 O GLY A 19 9.508 4.426 -5.303 1.00 0.00 O ATOM 0 H GLY A 19 11.486 5.453 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.481 3.408 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.478 5.146 -5.226 1.00 0.00 H new ATOM 254 N PRO A 20 10.738 3.862 -3.502 1.00 0.00 N ATOM 255 CA PRO A 20 9.592 3.721 -2.600 1.00 0.00 C ATOM 256 C PRO A 20 8.940 5.061 -2.277 1.00 0.00 C ATOM 257 O PRO A 20 9.598 5.981 -1.793 1.00 0.00 O ATOM 258 CB PRO A 20 10.206 3.108 -1.339 1.00 0.00 C ATOM 259 CG PRO A 20 11.636 3.526 -1.372 1.00 0.00 C ATOM 260 CD PRO A 20 12.016 3.584 -2.826 1.00 0.00 C ATOM 0 HA PRO A 20 8.799 3.118 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.708 3.471 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.111 2.022 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.770 4.497 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.263 2.816 -0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.751 4.366 -3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.454 2.645 -3.165 1.00 0.00 H new ATOM 268 N ALA A 21 7.643 5.163 -2.547 1.00 0.00 N ATOM 269 CA ALA A 21 6.901 6.390 -2.283 1.00 0.00 C ATOM 270 C ALA A 21 7.037 6.810 -0.823 1.00 0.00 C ATOM 271 O ALA A 21 6.511 6.165 0.084 1.00 0.00 O ATOM 272 CB ALA A 21 5.435 6.210 -2.648 1.00 0.00 C ATOM 0 H ALA A 21 7.084 4.410 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 21 7.323 7.181 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.894 7.134 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.351 5.965 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.009 5.402 -2.054 1.00 0.00 H new ATOM 278 N PRO A 22 7.760 7.915 -0.590 1.00 0.00 N ATOM 279 CA PRO A 22 7.981 8.446 0.759 1.00 0.00 C ATOM 280 C PRO A 22 6.711 9.028 1.369 1.00 0.00 C ATOM 281 O PRO A 22 5.646 8.998 0.754 1.00 0.00 O ATOM 282 CB PRO A 22 9.023 9.546 0.541 1.00 0.00 C ATOM 283 CG PRO A 22 8.837 9.968 -0.876 1.00 0.00 C ATOM 284 CD PRO A 22 8.415 8.733 -1.624 1.00 0.00 C ATOM 0 HA PRO A 22 8.300 7.670 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.868 10.380 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.033 9.175 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.081 10.749 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.761 10.376 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.733 8.971 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.269 8.217 -2.063 1.00 0.00 H new ATOM 292 N ASN A 23 6.832 9.559 2.581 1.00 0.00 N ATOM 293 CA ASN A 23 5.692 10.149 3.274 1.00 0.00 C ATOM 294 C ASN A 23 4.459 9.260 3.148 1.00 0.00 C ATOM 295 O ASN A 23 3.367 9.735 2.833 1.00 0.00 O ATOM 296 CB ASN A 23 5.392 11.540 2.713 1.00 0.00 C ATOM 297 CG ASN A 23 6.609 12.444 2.723 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.993 13.000 1.694 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.224 12.594 3.891 1.00 0.00 N ATOM 0 H ASN A 23 7.707 9.593 3.104 1.00 0.00 H new ATOM 0 HA ASN A 23 5.947 10.238 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.022 11.445 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.596 12.001 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.049 13.189 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.871 12.114 4.719 1.00 0.00 H new ATOM 306 N LEU A 24 4.641 7.968 3.396 1.00 0.00 N ATOM 307 CA LEU A 24 3.543 7.011 3.312 1.00 0.00 C ATOM 308 C LEU A 24 2.697 7.038 4.581 1.00 0.00 C ATOM 309 O LEU A 24 3.096 6.503 5.616 1.00 0.00 O ATOM 310 CB LEU A 24 4.087 5.600 3.078 1.00 0.00 C ATOM 311 CG LEU A 24 3.053 4.474 3.078 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.076 4.645 1.925 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.740 3.118 2.999 1.00 0.00 C ATOM 0 H LEU A 24 5.538 7.559 3.657 1.00 0.00 H new ATOM 0 HA LEU A 24 2.911 7.295 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.609 5.587 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.828 5.386 3.848 1.00 0.00 H new ATOM 0 HG LEU A 24 2.493 4.522 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.348 3.834 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.559 5.599 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.620 4.624 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.988 2.329 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.326 3.060 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.398 2.993 3.859 1.00 0.00 H new ATOM 325 N ARG A 25 1.527 7.663 4.493 1.00 0.00 N ATOM 326 CA ARG A 25 0.625 7.759 5.634 1.00 0.00 C ATOM 327 C ARG A 25 -0.637 6.933 5.400 1.00 0.00 C ATOM 328 O ARG A 25 -0.992 6.634 4.261 1.00 0.00 O ATOM 329 CB ARG A 25 0.250 9.219 5.893 1.00 0.00 C ATOM 330 CG ARG A 25 1.435 10.170 5.842 1.00 0.00 C ATOM 331 CD ARG A 25 2.220 10.153 7.145 1.00 0.00 C ATOM 332 NE ARG A 25 1.637 11.042 8.146 1.00 0.00 N ATOM 333 CZ ARG A 25 2.002 11.051 9.423 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.945 10.223 9.852 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.425 11.889 10.274 1.00 0.00 N ATOM 0 H ARG A 25 1.182 8.110 3.644 1.00 0.00 H new ATOM 0 HA ARG A 25 1.142 7.363 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.488 9.532 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.225 9.295 6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.091 9.892 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.083 11.182 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.250 9.136 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.250 10.451 6.951 1.00 0.00 H new ATOM 0 HE ARG A 25 0.909 11.692 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.392 9.577 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.224 10.232 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.700 12.528 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.707 11.895 11.254 1.00 0.00 H new ATOM 349 N ALA A 26 -1.308 6.568 6.487 1.00 0.00 N ATOM 350 CA ALA A 26 -2.530 5.778 6.401 1.00 0.00 C ATOM 351 C ALA A 26 -3.431 6.026 7.606 1.00 0.00 C ATOM 352 O ALA A 26 -2.996 5.910 8.752 1.00 0.00 O ATOM 353 CB ALA A 26 -2.195 4.298 6.285 1.00 0.00 C ATOM 0 H ALA A 26 -1.026 6.807 7.438 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.071 6.088 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.117 3.720 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.599 4.129 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.629 3.983 7.162 1.00 0.00 H new ATOM 359 N TYR A 27 -4.686 6.369 7.340 1.00 0.00 N ATOM 360 CA TYR A 27 -5.647 6.637 8.403 1.00 0.00 C ATOM 361 C TYR A 27 -7.034 6.127 8.025 1.00 0.00 C ATOM 362 O TYR A 27 -7.453 6.229 6.873 1.00 0.00 O ATOM 363 CB TYR A 27 -5.706 8.136 8.700 1.00 0.00 C ATOM 364 CG TYR A 27 -5.799 8.996 7.460 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.653 9.436 6.808 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.032 9.367 6.938 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.733 10.222 5.675 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.121 10.152 5.805 1.00 0.00 C ATOM 369 CZ TYR A 27 -5.969 10.577 5.177 1.00 0.00 C ATOM 370 OH TYR A 27 -6.053 11.359 4.048 1.00 0.00 O ATOM 0 H TYR A 27 -5.062 6.468 6.397 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.317 6.109 9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.567 8.338 9.337 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.818 8.421 9.264 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.683 9.159 7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.936 9.036 7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.832 10.557 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.088 10.432 5.413 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.272 11.949 4.000 1.00 0.00 H new ATOM 380 N ALA A 28 -7.743 5.576 9.006 1.00 0.00 N ATOM 381 CA ALA A 28 -9.084 5.052 8.778 1.00 0.00 C ATOM 382 C ALA A 28 -10.114 6.176 8.746 1.00 0.00 C ATOM 383 O ALA A 28 -10.481 6.725 9.784 1.00 0.00 O ATOM 384 CB ALA A 28 -9.442 4.036 9.852 1.00 0.00 C ATOM 0 H ALA A 28 -7.411 5.481 9.966 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.095 4.557 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.446 3.653 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.729 3.212 9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.408 4.514 10.831 1.00 0.00 H new ATOM 390 N ALA A 29 -10.577 6.514 7.547 1.00 0.00 N ATOM 391 CA ALA A 29 -11.566 7.571 7.379 1.00 0.00 C ATOM 392 C ALA A 29 -12.942 7.116 7.855 1.00 0.00 C ATOM 393 O ALA A 29 -13.753 7.927 8.302 1.00 0.00 O ATOM 394 CB ALA A 29 -11.628 8.011 5.924 1.00 0.00 C ATOM 0 H ALA A 29 -10.282 6.070 6.677 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.261 8.420 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.371 8.801 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.652 8.385 5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.905 7.162 5.299 1.00 0.00 H new ATOM 400 N SER A 30 -13.197 5.816 7.755 1.00 0.00 N ATOM 401 CA SER A 30 -14.477 5.254 8.171 1.00 0.00 C ATOM 402 C SER A 30 -14.313 3.806 8.623 1.00 0.00 C ATOM 403 O SER A 30 -13.346 3.127 8.278 1.00 0.00 O ATOM 404 CB SER A 30 -15.489 5.332 7.027 1.00 0.00 C ATOM 405 OG SER A 30 -16.092 6.613 6.966 1.00 0.00 O ATOM 0 H SER A 30 -12.535 5.132 7.390 1.00 0.00 H new ATOM 0 HA SER A 30 -14.846 5.840 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.991 5.115 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.257 4.571 7.164 1.00 0.00 H new ATOM 0 HG SER A 30 -15.529 7.262 7.438 1.00 0.00 H new ATOM 411 N PRO A 31 -15.282 3.321 9.413 1.00 0.00 N ATOM 412 CA PRO A 31 -15.270 1.948 9.929 1.00 0.00 C ATOM 413 C PRO A 31 -15.510 0.915 8.834 1.00 0.00 C ATOM 414 O PRO A 31 -15.594 -0.284 9.104 1.00 0.00 O ATOM 415 CB PRO A 31 -16.422 1.938 10.937 1.00 0.00 C ATOM 416 CG PRO A 31 -17.342 3.014 10.472 1.00 0.00 C ATOM 417 CD PRO A 31 -16.465 4.073 9.864 1.00 0.00 C ATOM 0 HA PRO A 31 -14.305 1.683 10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.923 0.970 10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.065 2.132 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.054 2.630 9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.923 3.417 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.961 4.577 9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.200 4.841 10.591 1.00 0.00 H new ATOM 425 N THR A 32 -15.621 1.386 7.596 1.00 0.00 N ATOM 426 CA THR A 32 -15.853 0.503 6.460 1.00 0.00 C ATOM 427 C THR A 32 -14.857 0.777 5.338 1.00 0.00 C ATOM 428 O THR A 32 -14.792 0.036 4.358 1.00 0.00 O ATOM 429 CB THR A 32 -17.284 0.659 5.910 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.497 2.006 5.473 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.313 0.295 6.969 1.00 0.00 C ATOM 0 H THR A 32 -15.554 2.375 7.355 1.00 0.00 H new ATOM 0 HA THR A 32 -15.719 -0.517 6.820 1.00 0.00 H new ATOM 0 HB THR A 32 -17.401 -0.019 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.408 2.096 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.316 0.413 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.167 -0.740 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.195 0.951 7.831 1.00 0.00 H new ATOM 439 N SER A 33 -14.082 1.847 5.489 1.00 0.00 N ATOM 440 CA SER A 33 -13.091 2.220 4.487 1.00 0.00 C ATOM 441 C SER A 33 -11.801 2.693 5.149 1.00 0.00 C ATOM 442 O SER A 33 -11.715 2.781 6.375 1.00 0.00 O ATOM 443 CB SER A 33 -13.644 3.319 3.578 1.00 0.00 C ATOM 444 OG SER A 33 -13.297 4.605 4.062 1.00 0.00 O ATOM 0 H SER A 33 -14.122 2.470 6.295 1.00 0.00 H new ATOM 0 HA SER A 33 -12.868 1.339 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.255 3.190 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.729 3.231 3.515 1.00 0.00 H new ATOM 0 HG SER A 33 -13.661 5.289 3.462 1.00 0.00 H new ATOM 450 N ILE A 34 -10.800 2.997 4.330 1.00 0.00 N ATOM 451 CA ILE A 34 -9.514 3.462 4.835 1.00 0.00 C ATOM 452 C ILE A 34 -8.827 4.379 3.829 1.00 0.00 C ATOM 453 O ILE A 34 -8.580 3.992 2.687 1.00 0.00 O ATOM 454 CB ILE A 34 -8.578 2.284 5.162 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.173 1.426 6.280 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.200 2.796 5.556 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.462 0.104 6.471 1.00 0.00 C ATOM 0 H ILE A 34 -10.855 2.930 3.314 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.717 4.018 5.750 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.473 1.665 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.138 1.986 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.224 1.236 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.550 1.952 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.775 3.369 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.287 3.435 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.937 -0.451 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.519 -0.476 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.417 0.286 6.721 1.00 0.00 H new ATOM 469 N THR A 35 -8.519 5.598 4.261 1.00 0.00 N ATOM 470 CA THR A 35 -7.860 6.571 3.399 1.00 0.00 C ATOM 471 C THR A 35 -6.344 6.490 3.537 1.00 0.00 C ATOM 472 O THR A 35 -5.805 6.583 4.640 1.00 0.00 O ATOM 473 CB THR A 35 -8.317 8.007 3.720 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.725 8.134 3.494 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.568 9.017 2.865 1.00 0.00 C ATOM 0 H THR A 35 -8.716 5.935 5.203 1.00 0.00 H new ATOM 0 HA THR A 35 -8.143 6.328 2.375 1.00 0.00 H new ATOM 0 HB THR A 35 -8.098 8.209 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.919 7.983 2.545 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.908 10.024 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.499 8.937 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.760 8.815 1.811 1.00 0.00 H new ATOM 483 N VAL A 36 -5.661 6.315 2.410 1.00 0.00 N ATOM 484 CA VAL A 36 -4.206 6.223 2.406 1.00 0.00 C ATOM 485 C VAL A 36 -3.590 7.292 1.510 1.00 0.00 C ATOM 486 O VAL A 36 -4.031 7.500 0.379 1.00 0.00 O ATOM 487 CB VAL A 36 -3.733 4.836 1.931 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.221 4.718 2.051 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.427 3.738 2.721 1.00 0.00 C ATOM 0 H VAL A 36 -6.092 6.234 1.489 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.876 6.380 3.433 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.000 4.720 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.905 3.732 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.746 5.483 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.927 4.855 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.081 2.765 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.193 3.848 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.505 3.813 2.578 1.00 0.00 H new ATOM 499 N THR A 37 -2.567 7.969 2.022 1.00 0.00 N ATOM 500 CA THR A 37 -1.891 9.018 1.269 1.00 0.00 C ATOM 501 C THR A 37 -0.388 8.767 1.205 1.00 0.00 C ATOM 502 O THR A 37 0.252 8.515 2.225 1.00 0.00 O ATOM 503 CB THR A 37 -2.142 10.405 1.889 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.564 10.469 3.197 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.632 10.699 1.972 1.00 0.00 C ATOM 0 H THR A 37 -2.188 7.809 2.956 1.00 0.00 H new ATOM 0 HA THR A 37 -2.303 8.999 0.260 1.00 0.00 H new ATOM 0 HB THR A 37 -1.675 11.154 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.727 11.355 3.584 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.784 11.684 2.413 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.063 10.679 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.118 9.945 2.591 1.00 0.00 H new ATOM 513 N TRP A 38 0.167 8.837 0.001 1.00 0.00 N ATOM 514 CA TRP A 38 1.596 8.618 -0.196 1.00 0.00 C ATOM 515 C TRP A 38 2.204 9.724 -1.051 1.00 0.00 C ATOM 516 O TRP A 38 1.485 10.501 -1.678 1.00 0.00 O ATOM 517 CB TRP A 38 1.838 7.257 -0.851 1.00 0.00 C ATOM 518 CG TRP A 38 1.092 7.076 -2.138 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.567 7.296 -3.399 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.264 6.640 -2.288 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.588 7.022 -4.324 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.544 6.617 -3.668 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.267 6.264 -1.391 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.785 6.235 -4.169 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.499 5.885 -1.890 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.749 5.872 -3.268 1.00 0.00 C ATOM 0 H TRP A 38 -0.350 9.044 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 38 2.079 8.634 0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.905 7.136 -1.038 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.545 6.470 -0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.565 7.635 -3.635 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.688 7.107 -5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.083 6.269 -0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.980 6.225 -5.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.282 5.594 -1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.722 5.570 -3.627 1.00 0.00 H new ATOM 537 N GLU A 39 3.531 9.788 -1.072 1.00 0.00 N ATOM 538 CA GLU A 39 4.234 10.800 -1.851 1.00 0.00 C ATOM 539 C GLU A 39 5.067 10.156 -2.956 1.00 0.00 C ATOM 540 O GLU A 39 5.309 8.948 -2.943 1.00 0.00 O ATOM 541 CB GLU A 39 5.134 11.641 -0.943 1.00 0.00 C ATOM 542 CG GLU A 39 4.396 12.748 -0.210 1.00 0.00 C ATOM 543 CD GLU A 39 3.958 13.868 -1.134 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.792 14.334 -1.938 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.782 14.278 -1.051 1.00 0.00 O ATOM 0 H GLU A 39 4.141 9.151 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 39 3.489 11.448 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.610 10.988 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.930 12.082 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.521 12.329 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.041 13.156 0.569 1.00 0.00 H new ATOM 552 N THR A 40 5.503 10.970 -3.912 1.00 0.00 N ATOM 553 CA THR A 40 6.307 10.481 -5.025 1.00 0.00 C ATOM 554 C THR A 40 7.787 10.444 -4.660 1.00 0.00 C ATOM 555 O THR A 40 8.324 11.371 -4.053 1.00 0.00 O ATOM 556 CB THR A 40 6.121 11.355 -6.279 1.00 0.00 C ATOM 557 OG1 THR A 40 4.740 11.382 -6.657 1.00 0.00 O ATOM 558 CG2 THR A 40 6.958 10.828 -7.435 1.00 0.00 C ATOM 0 H THR A 40 5.313 11.972 -3.938 1.00 0.00 H new ATOM 0 HA THR A 40 5.964 9.469 -5.242 1.00 0.00 H new ATOM 0 HB THR A 40 6.452 12.366 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.634 11.915 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.810 11.461 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.011 10.836 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.653 9.808 -7.670 1.00 0.00 H new ATOM 566 N PRO A 41 8.463 9.349 -5.038 1.00 0.00 N ATOM 567 CA PRO A 41 9.891 9.166 -4.761 1.00 0.00 C ATOM 568 C PRO A 41 10.765 10.108 -5.581 1.00 0.00 C ATOM 569 O PRO A 41 10.783 10.043 -6.811 1.00 0.00 O ATOM 570 CB PRO A 41 10.147 7.712 -5.165 1.00 0.00 C ATOM 571 CG PRO A 41 9.093 7.408 -6.173 1.00 0.00 C ATOM 572 CD PRO A 41 7.886 8.205 -5.764 1.00 0.00 C ATOM 0 HA PRO A 41 10.136 9.383 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.145 7.588 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.078 7.044 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.421 7.683 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.868 6.342 -6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.306 8.529 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.216 7.623 -5.131 1.00 0.00 H new ATOM 580 N VAL A 42 11.491 10.984 -4.893 1.00 0.00 N ATOM 581 CA VAL A 42 12.370 11.939 -5.558 1.00 0.00 C ATOM 582 C VAL A 42 13.287 11.240 -6.555 1.00 0.00 C ATOM 583 O VAL A 42 13.564 11.765 -7.633 1.00 0.00 O ATOM 584 CB VAL A 42 13.229 12.713 -4.541 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.357 13.614 -3.680 1.00 0.00 C ATOM 586 CG2 VAL A 42 14.029 11.749 -3.677 1.00 0.00 C ATOM 0 H VAL A 42 11.488 11.052 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 42 11.729 12.642 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 42 13.930 13.343 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.982 14.152 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.833 14.328 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.630 13.008 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.630 12.313 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.347 11.092 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.684 11.150 -4.310 1.00 0.00 H new ATOM 596 N SER A 43 13.755 10.052 -6.187 1.00 0.00 N ATOM 597 CA SER A 43 14.645 9.281 -7.048 1.00 0.00 C ATOM 598 C SER A 43 13.848 8.367 -7.973 1.00 0.00 C ATOM 599 O SER A 43 12.942 7.659 -7.536 1.00 0.00 O ATOM 600 CB SER A 43 15.614 8.452 -6.203 1.00 0.00 C ATOM 601 OG SER A 43 16.586 9.277 -5.584 1.00 0.00 O ATOM 0 H SER A 43 13.533 9.602 -5.299 1.00 0.00 H new ATOM 0 HA SER A 43 15.215 9.980 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.060 7.904 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.108 7.712 -6.832 1.00 0.00 H new ATOM 0 HG SER A 43 17.192 8.723 -5.049 1.00 0.00 H new ATOM 607 N GLY A 44 14.194 8.387 -9.257 1.00 0.00 N ATOM 608 CA GLY A 44 13.502 7.557 -10.225 1.00 0.00 C ATOM 609 C GLY A 44 14.090 7.676 -11.617 1.00 0.00 C ATOM 610 O GLY A 44 14.358 8.778 -12.093 1.00 0.00 O ATOM 0 H GLY A 44 14.941 8.963 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.545 6.516 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.449 7.838 -10.253 1.00 0.00 H new ATOM 614 N ASN A 45 14.294 6.537 -12.271 1.00 0.00 N ATOM 615 CA ASN A 45 14.857 6.518 -13.616 1.00 0.00 C ATOM 616 C ASN A 45 14.020 7.367 -14.568 1.00 0.00 C ATOM 617 O ASN A 45 14.556 8.104 -15.394 1.00 0.00 O ATOM 618 CB ASN A 45 14.941 5.081 -14.136 1.00 0.00 C ATOM 619 CG ASN A 45 15.702 4.984 -15.444 1.00 0.00 C ATOM 620 OD1 ASN A 45 16.451 5.890 -15.809 1.00 0.00 O ATOM 621 ND2 ASN A 45 15.513 3.880 -16.158 1.00 0.00 N ATOM 0 H ASN A 45 14.078 5.615 -11.891 1.00 0.00 H new ATOM 0 HA ASN A 45 15.861 6.940 -13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.427 4.455 -13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.934 4.688 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.998 3.758 -17.047 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.883 3.154 -15.817 1.00 0.00 H new ATOM 628 N GLY A 46 12.700 7.257 -14.446 1.00 0.00 N ATOM 629 CA GLY A 46 11.810 8.021 -15.301 1.00 0.00 C ATOM 630 C GLY A 46 10.526 8.413 -14.597 1.00 0.00 C ATOM 631 O GLY A 46 10.267 7.977 -13.476 1.00 0.00 O ATOM 0 H GLY A 46 12.232 6.653 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.323 8.920 -15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.570 7.434 -16.188 1.00 0.00 H new ATOM 635 N GLU A 47 9.720 9.240 -15.257 1.00 0.00 N ATOM 636 CA GLU A 47 8.457 9.692 -14.686 1.00 0.00 C ATOM 637 C GLU A 47 7.534 8.511 -14.401 1.00 0.00 C ATOM 638 O GLU A 47 7.380 7.616 -15.232 1.00 0.00 O ATOM 639 CB GLU A 47 7.767 10.676 -15.633 1.00 0.00 C ATOM 640 CG GLU A 47 8.593 11.916 -15.930 1.00 0.00 C ATOM 641 CD GLU A 47 7.735 13.133 -16.219 1.00 0.00 C ATOM 642 OE1 GLU A 47 7.115 13.661 -15.272 1.00 0.00 O ATOM 643 OE2 GLU A 47 7.685 13.557 -17.393 1.00 0.00 O ATOM 0 H GLU A 47 9.919 9.610 -16.186 1.00 0.00 H new ATOM 0 HA GLU A 47 8.674 10.196 -13.744 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.541 10.167 -16.570 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.815 10.980 -15.197 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.243 12.127 -15.081 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.240 11.721 -16.785 1.00 0.00 H new ATOM 650 N ILE A 48 6.924 8.516 -13.221 1.00 0.00 N ATOM 651 CA ILE A 48 6.016 7.446 -12.826 1.00 0.00 C ATOM 652 C ILE A 48 4.782 7.414 -13.721 1.00 0.00 C ATOM 653 O ILE A 48 4.198 8.454 -14.026 1.00 0.00 O ATOM 654 CB ILE A 48 5.570 7.598 -11.360 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.784 7.572 -10.429 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.588 6.497 -10.989 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.394 6.197 -10.269 1.00 0.00 C ATOM 0 H ILE A 48 7.042 9.249 -12.522 1.00 0.00 H new ATOM 0 HA ILE A 48 6.565 6.510 -12.934 1.00 0.00 H new ATOM 0 HB ILE A 48 5.069 8.559 -11.246 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.542 8.254 -10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.488 7.945 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.282 6.618 -9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.712 6.558 -11.635 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.066 5.525 -11.116 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.249 6.255 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.651 5.515 -9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.722 5.829 -11.241 1.00 0.00 H new ATOM 669 N GLN A 49 4.390 6.214 -14.136 1.00 0.00 N ATOM 670 CA GLN A 49 3.223 6.047 -14.996 1.00 0.00 C ATOM 671 C GLN A 49 1.946 5.958 -14.167 1.00 0.00 C ATOM 672 O GLN A 49 1.005 6.722 -14.377 1.00 0.00 O ATOM 673 CB GLN A 49 3.375 4.793 -15.859 1.00 0.00 C ATOM 674 CG GLN A 49 4.609 4.811 -16.746 1.00 0.00 C ATOM 675 CD GLN A 49 4.503 5.820 -17.872 1.00 0.00 C ATOM 676 OE1 GLN A 49 4.824 6.996 -17.700 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.052 5.365 -19.035 1.00 0.00 N ATOM 0 H GLN A 49 4.862 5.344 -13.891 1.00 0.00 H new ATOM 0 HA GLN A 49 3.152 6.919 -15.646 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.417 3.918 -15.210 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.489 4.683 -16.485 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.485 5.040 -16.139 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.764 3.818 -17.167 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.797 4.382 -19.134 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.960 5.998 -19.829 1.00 0.00 H new ATOM 686 N ASN A 50 1.920 5.019 -13.227 1.00 0.00 N ATOM 687 CA ASN A 50 0.757 4.829 -12.368 1.00 0.00 C ATOM 688 C ASN A 50 1.180 4.378 -10.973 1.00 0.00 C ATOM 689 O ASN A 50 2.308 3.929 -10.769 1.00 0.00 O ATOM 690 CB ASN A 50 -0.194 3.801 -12.982 1.00 0.00 C ATOM 691 CG ASN A 50 -1.411 3.547 -12.113 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.596 2.448 -11.590 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.248 4.566 -11.956 1.00 0.00 N ATOM 0 H ASN A 50 2.691 4.378 -13.041 1.00 0.00 H new ATOM 0 HA ASN A 50 0.240 5.785 -12.281 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.518 4.150 -13.963 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.340 2.864 -13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.084 4.455 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.054 5.459 -12.409 1.00 0.00 H new ATOM 700 N TYR A 51 0.266 4.499 -10.016 1.00 0.00 N ATOM 701 CA TYR A 51 0.543 4.106 -8.640 1.00 0.00 C ATOM 702 C TYR A 51 -0.294 2.895 -8.240 1.00 0.00 C ATOM 703 O TYR A 51 -1.487 2.824 -8.537 1.00 0.00 O ATOM 704 CB TYR A 51 0.264 5.270 -7.688 1.00 0.00 C ATOM 705 CG TYR A 51 1.245 6.412 -7.824 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.481 6.370 -7.189 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.937 7.533 -8.585 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.381 7.412 -7.310 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.831 8.578 -8.712 1.00 0.00 C ATOM 710 CZ TYR A 51 3.052 8.513 -8.072 1.00 0.00 C ATOM 711 OH TYR A 51 3.945 9.553 -8.195 1.00 0.00 O ATOM 0 H TYR A 51 -0.673 4.866 -10.169 1.00 0.00 H new ATOM 0 HA TYR A 51 1.597 3.835 -8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.743 5.644 -7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.287 4.903 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.742 5.509 -6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.018 7.588 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.337 7.364 -6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.576 9.441 -9.309 1.00 0.00 H new ATOM 0 HH TYR A 51 3.886 10.130 -7.405 1.00 0.00 H new ATOM 721 N LYS A 52 0.340 1.943 -7.564 1.00 0.00 N ATOM 722 CA LYS A 52 -0.345 0.734 -7.120 1.00 0.00 C ATOM 723 C LYS A 52 -0.519 0.733 -5.605 1.00 0.00 C ATOM 724 O LYS A 52 0.435 0.957 -4.859 1.00 0.00 O ATOM 725 CB LYS A 52 0.437 -0.508 -7.554 1.00 0.00 C ATOM 726 CG LYS A 52 -0.434 -1.737 -7.748 1.00 0.00 C ATOM 727 CD LYS A 52 -1.326 -1.602 -8.970 1.00 0.00 C ATOM 728 CE LYS A 52 -0.609 -2.047 -10.236 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.150 -1.371 -11.447 1.00 0.00 N ATOM 0 H LYS A 52 1.327 1.985 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.332 0.715 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.958 -0.292 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.199 -0.727 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.198 -2.619 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.050 -1.891 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.227 -2.200 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.645 -0.565 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.456 -1.832 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.707 -3.127 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.635 -1.701 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.160 -1.597 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.033 -0.342 -11.352 1.00 0.00 H new ATOM 743 N LEU A 53 -1.743 0.479 -5.155 1.00 0.00 N ATOM 744 CA LEU A 53 -2.043 0.448 -3.728 1.00 0.00 C ATOM 745 C LEU A 53 -2.683 -0.880 -3.335 1.00 0.00 C ATOM 746 O LEU A 53 -3.850 -1.132 -3.637 1.00 0.00 O ATOM 747 CB LEU A 53 -2.972 1.604 -3.356 1.00 0.00 C ATOM 748 CG LEU A 53 -3.642 1.513 -1.984 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.604 1.605 -0.876 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.689 2.606 -1.828 1.00 0.00 C ATOM 0 H LEU A 53 -2.544 0.291 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.105 0.554 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.400 2.531 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.751 1.676 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.140 0.547 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.099 1.538 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.891 0.786 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.077 2.556 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.155 2.526 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.213 3.582 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.449 2.494 -2.601 1.00 0.00 H new ATOM 762 N TYR A 54 -1.912 -1.725 -2.659 1.00 0.00 N ATOM 763 CA TYR A 54 -2.403 -3.027 -2.225 1.00 0.00 C ATOM 764 C TYR A 54 -3.100 -2.923 -0.872 1.00 0.00 C ATOM 765 O TYR A 54 -2.875 -1.978 -0.116 1.00 0.00 O ATOM 766 CB TYR A 54 -1.250 -4.029 -2.142 1.00 0.00 C ATOM 767 CG TYR A 54 -0.615 -4.333 -3.480 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.043 -3.324 -4.245 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.586 -5.630 -3.978 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.538 -3.598 -5.468 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.006 -5.913 -5.200 1.00 0.00 C ATOM 772 CZ TYR A 54 0.554 -4.893 -5.941 1.00 0.00 C ATOM 773 OH TYR A 54 1.133 -5.170 -7.159 1.00 0.00 O ATOM 0 H TYR A 54 -0.945 -1.531 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.127 -3.377 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.488 -3.638 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.617 -4.957 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.053 -2.309 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.024 -6.430 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.977 -2.802 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.009 -6.927 -5.573 1.00 0.00 H new ATOM 0 HH TYR A 54 1.061 -6.130 -7.345 1.00 0.00 H new ATOM 783 N TYR A 55 -3.946 -3.903 -0.572 1.00 0.00 N ATOM 784 CA TYR A 55 -4.677 -3.922 0.689 1.00 0.00 C ATOM 785 C TYR A 55 -5.141 -5.336 1.028 1.00 0.00 C ATOM 786 O TYR A 55 -5.634 -6.062 0.166 1.00 0.00 O ATOM 787 CB TYR A 55 -5.881 -2.982 0.618 1.00 0.00 C ATOM 788 CG TYR A 55 -6.949 -3.436 -0.351 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.752 -3.349 -1.723 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.156 -3.952 0.106 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.725 -3.762 -2.613 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.134 -4.369 -0.776 1.00 0.00 C ATOM 793 CZ TYR A 55 -8.914 -4.272 -2.134 1.00 0.00 C ATOM 794 OH TYR A 55 -9.886 -4.686 -3.016 1.00 0.00 O ATOM 0 H TYR A 55 -4.142 -4.694 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.004 -3.581 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.319 -2.891 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.539 -1.988 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.822 -2.951 -2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.332 -4.028 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.556 -3.686 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.066 -4.769 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.660 -5.020 -2.516 1.00 0.00 H new ATOM 804 N MET A 56 -4.979 -5.717 2.290 1.00 0.00 N ATOM 805 CA MET A 56 -5.383 -7.043 2.745 1.00 0.00 C ATOM 806 C MET A 56 -5.631 -7.049 4.250 1.00 0.00 C ATOM 807 O MET A 56 -5.179 -6.156 4.966 1.00 0.00 O ATOM 808 CB MET A 56 -4.311 -8.076 2.390 1.00 0.00 C ATOM 809 CG MET A 56 -3.263 -8.262 3.474 1.00 0.00 C ATOM 810 SD MET A 56 -1.743 -9.005 2.851 1.00 0.00 S ATOM 811 CE MET A 56 -1.330 -10.112 4.197 1.00 0.00 C ATOM 0 H MET A 56 -4.571 -5.128 3.016 1.00 0.00 H new ATOM 0 HA MET A 56 -6.313 -7.305 2.240 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.792 -9.034 2.194 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.817 -7.772 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.033 -7.295 3.921 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.672 -8.890 4.265 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.705 -10.922 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.789 -9.562 4.967 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.245 -10.526 4.621 1.00 0.00 H new ATOM 821 N GLU A 57 -6.353 -8.060 4.723 1.00 0.00 N ATOM 822 CA GLU A 57 -6.662 -8.180 6.143 1.00 0.00 C ATOM 823 C GLU A 57 -5.525 -8.870 6.890 1.00 0.00 C ATOM 824 O GLU A 57 -4.982 -9.874 6.429 1.00 0.00 O ATOM 825 CB GLU A 57 -7.964 -8.959 6.340 1.00 0.00 C ATOM 826 CG GLU A 57 -8.541 -8.835 7.740 1.00 0.00 C ATOM 827 CD GLU A 57 -9.330 -10.061 8.157 1.00 0.00 C ATOM 828 OE1 GLU A 57 -8.911 -11.184 7.807 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.367 -9.897 8.833 1.00 0.00 O ATOM 0 H GLU A 57 -6.735 -8.808 4.144 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.783 -7.176 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.702 -8.606 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.784 -10.012 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.730 -8.671 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.187 -7.959 7.786 1.00 0.00 H new ATOM 836 N LYS A 58 -5.169 -8.325 8.048 1.00 0.00 N ATOM 837 CA LYS A 58 -4.098 -8.886 8.862 1.00 0.00 C ATOM 838 C LYS A 58 -4.410 -10.327 9.253 1.00 0.00 C ATOM 839 O LYS A 58 -5.217 -10.577 10.147 1.00 0.00 O ATOM 840 CB LYS A 58 -3.887 -8.040 10.120 1.00 0.00 C ATOM 841 CG LYS A 58 -2.457 -8.053 10.629 1.00 0.00 C ATOM 842 CD LYS A 58 -1.635 -6.934 10.012 1.00 0.00 C ATOM 843 CE LYS A 58 -0.144 -7.221 10.106 1.00 0.00 C ATOM 844 NZ LYS A 58 0.328 -7.247 11.518 1.00 0.00 N ATOM 0 H LYS A 58 -5.608 -7.494 8.444 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.183 -8.878 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.179 -7.011 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.547 -8.404 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.455 -7.951 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.997 -9.014 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.917 -6.808 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.859 -5.995 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.072 -8.179 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.408 -6.461 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.355 -7.412 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.115 -6.336 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.155 -8.011 12.032 1.00 0.00 H new ATOM 858 N GLY A 59 -3.762 -11.272 8.578 1.00 0.00 N ATOM 859 CA GLY A 59 -3.984 -12.676 8.870 1.00 0.00 C ATOM 860 C GLY A 59 -4.711 -13.394 7.751 1.00 0.00 C ATOM 861 O GLY A 59 -5.570 -14.241 8.000 1.00 0.00 O ATOM 0 H GLY A 59 -3.088 -11.090 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.025 -13.163 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.561 -12.765 9.790 1.00 0.00 H new ATOM 865 N THR A 60 -4.369 -13.055 6.511 1.00 0.00 N ATOM 866 CA THR A 60 -4.997 -13.671 5.349 1.00 0.00 C ATOM 867 C THR A 60 -3.951 -14.201 4.375 1.00 0.00 C ATOM 868 O THR A 60 -4.119 -15.272 3.792 1.00 0.00 O ATOM 869 CB THR A 60 -5.912 -12.675 4.612 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.452 -11.726 5.539 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.045 -13.403 3.905 1.00 0.00 C ATOM 0 H THR A 60 -3.660 -12.357 6.286 1.00 0.00 H new ATOM 0 HA THR A 60 -5.599 -14.502 5.717 1.00 0.00 H new ATOM 0 HB THR A 60 -5.315 -12.152 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.758 -11.079 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.678 -12.679 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.631 -14.103 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.639 -13.950 4.637 1.00 0.00 H new ATOM 879 N ASP A 61 -2.872 -13.445 4.204 1.00 0.00 N ATOM 880 CA ASP A 61 -1.798 -13.840 3.301 1.00 0.00 C ATOM 881 C ASP A 61 -2.230 -13.694 1.845 1.00 0.00 C ATOM 882 O ASP A 61 -1.748 -14.410 0.968 1.00 0.00 O ATOM 883 CB ASP A 61 -1.375 -15.283 3.578 1.00 0.00 C ATOM 884 CG ASP A 61 0.063 -15.552 3.178 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.552 -14.888 2.241 1.00 0.00 O ATOM 886 OD2 ASP A 61 0.699 -16.427 3.803 1.00 0.00 O ATOM 0 H ASP A 61 -2.718 -12.555 4.679 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.948 -13.180 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.500 -15.498 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.033 -15.962 3.036 1.00 0.00 H new ATOM 891 N LYS A 62 -3.143 -12.761 1.595 1.00 0.00 N ATOM 892 CA LYS A 62 -3.641 -12.520 0.246 1.00 0.00 C ATOM 893 C LYS A 62 -4.045 -11.059 0.069 1.00 0.00 C ATOM 894 O LYS A 62 -5.052 -10.614 0.617 1.00 0.00 O ATOM 895 CB LYS A 62 -4.836 -13.429 -0.049 1.00 0.00 C ATOM 896 CG LYS A 62 -4.447 -14.764 -0.660 1.00 0.00 C ATOM 897 CD LYS A 62 -4.301 -14.665 -2.170 1.00 0.00 C ATOM 898 CE LYS A 62 -5.625 -14.917 -2.875 1.00 0.00 C ATOM 899 NZ LYS A 62 -6.421 -13.667 -3.023 1.00 0.00 N ATOM 0 H LYS A 62 -3.553 -12.159 2.309 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.839 -12.746 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.383 -13.608 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.516 -12.913 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.508 -15.105 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.202 -15.511 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.928 -13.676 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.561 -15.388 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.437 -15.346 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.202 -15.651 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.032 -13.742 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.010 -13.528 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.778 -12.857 -3.134 1.00 0.00 H new ATOM 913 N GLU A 63 -3.252 -10.320 -0.701 1.00 0.00 N ATOM 914 CA GLU A 63 -3.529 -8.911 -0.951 1.00 0.00 C ATOM 915 C GLU A 63 -3.961 -8.689 -2.397 1.00 0.00 C ATOM 916 O GLU A 63 -3.723 -9.530 -3.263 1.00 0.00 O ATOM 917 CB GLU A 63 -2.294 -8.063 -0.640 1.00 0.00 C ATOM 918 CG GLU A 63 -1.156 -8.260 -1.629 1.00 0.00 C ATOM 919 CD GLU A 63 -0.242 -9.407 -1.244 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.085 -9.661 -0.032 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.317 -10.051 -2.157 1.00 0.00 O ATOM 0 H GLU A 63 -2.414 -10.674 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.345 -8.606 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.579 -7.011 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.940 -8.306 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.569 -8.446 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.573 -7.341 -1.694 1.00 0.00 H new ATOM 928 N GLN A 64 -4.599 -7.550 -2.650 1.00 0.00 N ATOM 929 CA GLN A 64 -5.066 -7.218 -3.991 1.00 0.00 C ATOM 930 C GLN A 64 -4.361 -5.973 -4.520 1.00 0.00 C ATOM 931 O GLN A 64 -3.472 -5.426 -3.867 1.00 0.00 O ATOM 932 CB GLN A 64 -6.580 -6.998 -3.987 1.00 0.00 C ATOM 933 CG GLN A 64 -7.381 -8.281 -4.142 1.00 0.00 C ATOM 934 CD GLN A 64 -7.449 -8.756 -5.580 1.00 0.00 C ATOM 935 OE1 GLN A 64 -7.015 -9.863 -5.902 1.00 0.00 O ATOM 936 NE2 GLN A 64 -7.995 -7.920 -6.455 1.00 0.00 N ATOM 0 H GLN A 64 -4.804 -6.842 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.829 -8.055 -4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.866 -6.511 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.842 -6.316 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.933 -9.061 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.392 -8.121 -3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.342 -7.012 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.068 -8.185 -7.437 1.00 0.00 H new ATOM 945 N ASP A 65 -4.763 -5.532 -5.707 1.00 0.00 N ATOM 946 CA ASP A 65 -4.170 -4.351 -6.324 1.00 0.00 C ATOM 947 C ASP A 65 -5.248 -3.446 -6.912 1.00 0.00 C ATOM 948 O ASP A 65 -6.132 -3.905 -7.636 1.00 0.00 O ATOM 949 CB ASP A 65 -3.181 -4.762 -7.415 1.00 0.00 C ATOM 950 CG ASP A 65 -3.858 -4.999 -8.751 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.158 -4.008 -9.448 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.088 -6.176 -9.099 1.00 0.00 O ATOM 0 H ASP A 65 -5.497 -5.974 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.637 -3.796 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.425 -3.985 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.662 -5.670 -7.108 1.00 0.00 H new ATOM 957 N VAL A 66 -5.170 -2.157 -6.594 1.00 0.00 N ATOM 958 CA VAL A 66 -6.139 -1.187 -7.091 1.00 0.00 C ATOM 959 C VAL A 66 -5.446 -0.044 -7.824 1.00 0.00 C ATOM 960 O VAL A 66 -4.671 0.707 -7.231 1.00 0.00 O ATOM 961 CB VAL A 66 -6.990 -0.607 -5.945 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.644 -1.725 -5.147 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.139 0.275 -5.044 1.00 0.00 C ATOM 0 H VAL A 66 -4.446 -1.761 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.791 -1.717 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.779 0.008 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.241 -1.296 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.287 -2.312 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.873 -2.369 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.756 0.676 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.327 -0.315 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.723 1.097 -5.627 1.00 0.00 H new ATOM 973 N ASP A 67 -5.730 0.082 -9.115 1.00 0.00 N ATOM 974 CA ASP A 67 -5.135 1.135 -9.930 1.00 0.00 C ATOM 975 C ASP A 67 -5.684 2.503 -9.535 1.00 0.00 C ATOM 976 O ASP A 67 -6.884 2.755 -9.638 1.00 0.00 O ATOM 977 CB ASP A 67 -5.401 0.874 -11.413 1.00 0.00 C ATOM 978 CG ASP A 67 -6.740 1.421 -11.866 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.779 0.924 -11.382 1.00 0.00 O ATOM 980 OD2 ASP A 67 -6.750 2.346 -12.706 1.00 0.00 O ATOM 0 H ASP A 67 -6.369 -0.532 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.059 1.131 -9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.607 1.327 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.367 -0.199 -11.602 1.00 0.00 H new ATOM 985 N VAL A 68 -4.796 3.382 -9.081 1.00 0.00 N ATOM 986 CA VAL A 68 -5.192 4.724 -8.671 1.00 0.00 C ATOM 987 C VAL A 68 -4.451 5.786 -9.477 1.00 0.00 C ATOM 988 O VAL A 68 -3.296 5.596 -9.859 1.00 0.00 O ATOM 989 CB VAL A 68 -4.924 4.954 -7.172 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.289 6.377 -6.776 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.693 3.944 -6.333 1.00 0.00 C ATOM 0 H VAL A 68 -3.799 3.189 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.262 4.810 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.860 4.813 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.093 6.521 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.690 7.081 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.346 6.551 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.492 4.121 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.761 4.052 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.377 2.935 -6.598 1.00 0.00 H new ATOM 1001 N SER A 69 -5.123 6.904 -9.731 1.00 0.00 N ATOM 1002 CA SER A 69 -4.530 7.996 -10.494 1.00 0.00 C ATOM 1003 C SER A 69 -4.033 9.100 -9.566 1.00 0.00 C ATOM 1004 O SER A 69 -2.978 9.690 -9.795 1.00 0.00 O ATOM 1005 CB SER A 69 -5.547 8.565 -11.485 1.00 0.00 C ATOM 1006 OG SER A 69 -6.647 9.148 -10.808 1.00 0.00 O ATOM 0 H SER A 69 -6.079 7.078 -9.420 1.00 0.00 H new ATOM 0 HA SER A 69 -3.678 7.600 -11.047 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.066 9.313 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.900 7.772 -12.144 1.00 0.00 H new ATOM 0 HG SER A 69 -7.282 9.506 -11.463 1.00 0.00 H new ATOM 1012 N SER A 70 -4.804 9.375 -8.518 1.00 0.00 N ATOM 1013 CA SER A 70 -4.445 10.411 -7.557 1.00 0.00 C ATOM 1014 C SER A 70 -3.464 9.874 -6.520 1.00 0.00 C ATOM 1015 O SER A 70 -3.323 8.663 -6.350 1.00 0.00 O ATOM 1016 CB SER A 70 -5.699 10.946 -6.861 1.00 0.00 C ATOM 1017 OG SER A 70 -6.685 11.322 -7.806 1.00 0.00 O ATOM 0 H SER A 70 -5.680 8.895 -8.313 1.00 0.00 H new ATOM 0 HA SER A 70 -3.963 11.225 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.102 10.184 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.437 11.805 -6.243 1.00 0.00 H new ATOM 0 HG SER A 70 -7.477 11.659 -7.336 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.787 10.785 -5.828 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.818 10.404 -4.806 1.00 0.00 C ATOM 1025 C HIS A 71 -2.502 9.679 -3.652 1.00 0.00 C ATOM 1026 O HIS A 71 -1.954 8.731 -3.090 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.084 11.640 -4.284 1.00 0.00 C ATOM 1028 CG HIS A 71 0.067 12.062 -5.145 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.157 13.311 -5.723 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.181 11.393 -5.524 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.275 13.391 -6.421 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.915 12.240 -6.317 1.00 0.00 N ATOM 0 H HIS A 71 -2.891 11.792 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.095 9.726 -5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.791 12.466 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.719 11.437 -3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.444 10.381 -5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.609 14.251 -6.982 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.809 12.017 -6.755 1.00 0.00 H new ATOM 1041 N SER A 72 -3.702 10.131 -3.303 1.00 0.00 N ATOM 1042 CA SER A 72 -4.459 9.528 -2.213 1.00 0.00 C ATOM 1043 C SER A 72 -5.666 8.763 -2.748 1.00 0.00 C ATOM 1044 O SER A 72 -6.201 9.087 -3.808 1.00 0.00 O ATOM 1045 CB SER A 72 -4.919 10.604 -1.227 1.00 0.00 C ATOM 1046 OG SER A 72 -6.055 10.175 -0.497 1.00 0.00 O ATOM 0 H SER A 72 -4.171 10.913 -3.760 1.00 0.00 H new ATOM 0 HA SER A 72 -3.806 8.826 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.108 10.841 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.155 11.520 -1.768 1.00 0.00 H new ATOM 0 HG SER A 72 -6.328 10.880 0.127 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.090 7.746 -2.006 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.232 6.932 -2.405 1.00 0.00 C ATOM 1054 C TYR A 73 -7.946 6.360 -1.185 1.00 0.00 C ATOM 1055 O TYR A 73 -7.355 6.218 -0.113 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.779 5.797 -3.324 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.910 4.908 -3.792 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.283 3.785 -3.065 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.604 5.192 -4.961 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.314 2.970 -3.488 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.638 4.384 -5.392 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.990 3.274 -4.652 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.018 2.465 -5.078 1.00 0.00 O ATOM 0 H TYR A 73 -5.660 7.466 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.931 7.571 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.279 6.223 -4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.043 5.188 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.757 3.545 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.330 6.060 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.590 2.100 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.168 4.620 -6.303 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.389 2.820 -5.913 1.00 0.00 H new ATOM 1073 N THR A 74 -9.223 6.031 -1.355 1.00 0.00 N ATOM 1074 CA THR A 74 -10.020 5.474 -0.269 1.00 0.00 C ATOM 1075 C THR A 74 -10.527 4.080 -0.618 1.00 0.00 C ATOM 1076 O THR A 74 -11.214 3.893 -1.623 1.00 0.00 O ATOM 1077 CB THR A 74 -11.223 6.377 0.066 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.768 7.689 0.414 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.034 5.794 1.213 1.00 0.00 C ATOM 0 H THR A 74 -9.727 6.141 -2.235 1.00 0.00 H new ATOM 0 HA THR A 74 -9.368 5.413 0.602 1.00 0.00 H new ATOM 0 HB THR A 74 -11.862 6.437 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.538 8.257 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.878 6.449 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.403 4.807 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.403 5.708 2.098 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.187 3.104 0.217 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.610 1.727 -0.004 1.00 0.00 C ATOM 1089 C ILE A 75 -11.803 1.371 0.877 1.00 0.00 C ATOM 1090 O ILE A 75 -11.655 1.143 2.077 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.466 0.735 0.275 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.359 0.892 -0.770 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -9.993 -0.692 0.286 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.079 0.172 -0.408 1.00 0.00 C ATOM 0 H ILE A 75 -9.619 3.242 1.053 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.899 1.650 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.046 0.954 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.719 0.516 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.144 1.952 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.172 -1.381 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.749 -0.795 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.435 -0.924 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.340 0.327 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.695 0.564 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.279 -0.894 -0.303 1.00 0.00 H new ATOM 1106 N ASN A 76 -12.985 1.323 0.272 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.204 0.992 1.001 1.00 0.00 C ATOM 1108 C ASN A 76 -14.526 -0.494 0.877 1.00 0.00 C ATOM 1109 O ASN A 76 -13.884 -1.217 0.117 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.377 1.825 0.479 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.283 2.085 -1.012 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.611 1.221 -1.826 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.832 3.280 -1.377 1.00 0.00 N ATOM 0 H ASN A 76 -13.125 1.509 -0.721 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.042 1.224 2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.312 1.308 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.408 2.777 1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.746 3.512 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.572 3.965 -0.668 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.526 -0.942 1.630 1.00 0.00 N ATOM 1121 CA GLY A 77 -15.917 -2.339 1.589 1.00 0.00 C ATOM 1122 C GLY A 77 -15.039 -3.212 2.464 1.00 0.00 C ATOM 1123 O GLY A 77 -14.531 -4.241 2.016 1.00 0.00 O ATOM 0 H GLY A 77 -16.072 -0.363 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.954 -2.433 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.870 -2.696 0.560 1.00 0.00 H new ATOM 1127 N LEU A 78 -14.859 -2.802 3.714 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.034 -3.553 4.654 1.00 0.00 C ATOM 1129 C LEU A 78 -14.816 -3.883 5.921 1.00 0.00 C ATOM 1130 O LEU A 78 -15.965 -3.470 6.081 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.777 -2.757 5.010 1.00 0.00 C ATOM 1132 CG LEU A 78 -11.970 -2.214 3.830 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.843 -1.319 4.321 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.418 -3.358 2.991 1.00 0.00 C ATOM 0 H LEU A 78 -15.273 -1.954 4.101 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.741 -4.488 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.069 -1.918 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.125 -3.394 5.608 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.634 -1.617 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.280 -0.942 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.261 -0.481 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.180 -1.892 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.846 -2.954 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.769 -3.981 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.243 -3.960 2.609 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.186 -4.629 6.822 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.820 -5.012 8.078 1.00 0.00 C ATOM 1148 C LYS A 79 -14.691 -3.901 9.115 1.00 0.00 C ATOM 1149 O LYS A 79 -13.848 -3.013 8.986 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.195 -6.301 8.616 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.627 -7.548 7.864 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.274 -8.812 8.629 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.240 -9.057 9.778 1.00 0.00 C ATOM 1154 NZ LYS A 79 -14.635 -9.908 10.840 1.00 0.00 N ATOM 0 H LYS A 79 -13.236 -4.981 6.706 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.879 -5.182 7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.109 -6.216 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.460 -6.411 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.703 -7.515 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.147 -7.568 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.290 -9.665 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.259 -8.732 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.544 -8.102 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.142 -9.537 9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.325 -10.052 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.368 -10.829 10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.789 -9.439 11.221 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.531 -3.956 10.143 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.510 -2.956 11.203 1.00 0.00 C ATOM 1170 C LYS A 80 -14.523 -3.346 12.299 1.00 0.00 C ATOM 1171 O LYS A 80 -14.454 -4.508 12.700 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.909 -2.785 11.799 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.778 -1.799 11.037 1.00 0.00 C ATOM 1174 CD LYS A 80 -19.249 -2.167 11.128 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.581 -3.359 10.244 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.893 -3.966 10.601 1.00 0.00 N ATOM 0 H LYS A 80 -16.235 -4.684 10.264 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.189 -2.009 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.407 -3.754 11.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.816 -2.452 12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.628 -0.796 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.472 -1.775 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.504 -2.398 12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.858 -1.313 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.599 -3.044 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.796 -4.110 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.083 -4.775 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.868 -4.290 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.646 -3.257 10.488 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.764 -2.369 12.781 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.781 -2.611 13.830 1.00 0.00 C ATOM 1192 C TYR A 81 -11.860 -3.768 13.457 1.00 0.00 C ATOM 1193 O TYR A 81 -11.597 -4.656 14.269 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.482 -2.909 15.156 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.604 -2.693 16.368 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.919 -1.498 16.550 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.460 -3.684 17.331 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -11.115 -1.296 17.655 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.659 -3.490 18.440 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.988 -2.295 18.597 1.00 0.00 C ATOM 1201 OH TYR A 81 -10.189 -2.098 19.700 1.00 0.00 O ATOM 0 H TYR A 81 -13.810 -1.401 12.462 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.176 -1.711 13.941 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.365 -2.276 15.240 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.830 -3.942 15.149 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.017 -0.713 15.815 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.983 -4.621 17.211 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.589 -0.361 17.780 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.559 -4.270 19.180 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.209 -2.898 20.266 1.00 0.00 H new ATOM 1211 N THR A 82 -11.370 -3.752 12.221 1.00 0.00 N ATOM 1212 CA THR A 82 -10.478 -4.799 11.738 1.00 0.00 C ATOM 1213 C THR A 82 -9.197 -4.208 11.161 1.00 0.00 C ATOM 1214 O THR A 82 -9.219 -3.149 10.534 1.00 0.00 O ATOM 1215 CB THR A 82 -11.160 -5.665 10.663 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.421 -6.143 11.145 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.279 -6.844 10.278 1.00 0.00 C ATOM 0 H THR A 82 -11.576 -3.025 11.536 1.00 0.00 H new ATOM 0 HA THR A 82 -10.231 -5.425 12.596 1.00 0.00 H new ATOM 0 HB THR A 82 -11.320 -5.047 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.622 -7.008 10.732 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.782 -7.441 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.332 -6.477 9.883 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.091 -7.460 11.157 1.00 0.00 H new ATOM 1225 N GLU A 83 -8.082 -4.899 11.377 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.791 -4.440 10.878 1.00 0.00 C ATOM 1227 C GLU A 83 -6.655 -4.721 9.384 1.00 0.00 C ATOM 1228 O GLU A 83 -7.244 -5.668 8.863 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.653 -5.120 11.642 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.397 -4.271 11.745 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.433 -4.782 12.798 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.854 -5.598 13.644 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.255 -4.366 12.775 1.00 0.00 O ATOM 0 H GLU A 83 -8.047 -5.778 11.894 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.731 -3.363 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.998 -5.367 12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.406 -6.060 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.896 -4.252 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.675 -3.244 11.980 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.875 -3.890 8.701 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.663 -4.046 7.267 1.00 0.00 C ATOM 1242 C TYR A 84 -4.313 -3.470 6.850 1.00 0.00 C ATOM 1243 O TYR A 84 -3.961 -2.351 7.222 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.786 -3.360 6.487 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.043 -4.193 6.377 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.163 -5.182 5.409 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.111 -3.991 7.243 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.310 -5.944 5.304 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.262 -4.750 7.147 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.357 -5.724 6.176 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.501 -6.483 6.076 1.00 0.00 O ATOM 0 H TYR A 84 -5.379 -3.102 9.117 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.669 -5.112 7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.028 -2.414 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.429 -3.123 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.345 -5.358 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.040 -3.228 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.387 -6.708 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.082 -4.581 7.829 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.734 -6.841 6.958 1.00 0.00 H new ATOM 1261 N SER A 85 -3.562 -4.244 6.073 1.00 0.00 N ATOM 1262 CA SER A 85 -2.249 -3.814 5.607 1.00 0.00 C ATOM 1263 C SER A 85 -2.369 -2.995 4.325 1.00 0.00 C ATOM 1264 O SER A 85 -3.374 -3.072 3.618 1.00 0.00 O ATOM 1265 CB SER A 85 -1.346 -5.026 5.368 1.00 0.00 C ATOM 1266 OG SER A 85 0.022 -4.672 5.474 1.00 0.00 O ATOM 0 H SER A 85 -3.840 -5.172 5.753 1.00 0.00 H new ATOM 0 HA SER A 85 -1.805 -3.186 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.580 -5.806 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.542 -5.440 4.379 1.00 0.00 H new ATOM 0 HG SER A 85 0.556 -5.251 4.891 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.337 -2.211 4.033 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.326 -1.376 2.837 1.00 0.00 C ATOM 1274 C PHE A 86 0.103 -1.102 2.378 1.00 0.00 C ATOM 1275 O PHE A 86 0.996 -0.872 3.194 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.049 -0.054 3.106 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.491 -0.227 3.488 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.461 -0.417 2.517 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.877 -0.199 4.818 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.788 -0.575 2.866 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.203 -0.357 5.174 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.160 -0.546 4.196 1.00 0.00 C ATOM 0 H PHE A 86 -0.498 -2.136 4.608 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.847 -1.913 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.531 0.478 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.990 0.571 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.176 -0.442 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.132 -0.052 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.534 -0.721 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.490 -0.333 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.197 -0.671 4.471 1.00 0.00 H new ATOM 1292 N ARG A 87 0.313 -1.131 1.066 1.00 0.00 N ATOM 1293 CA ARG A 87 1.633 -0.889 0.497 1.00 0.00 C ATOM 1294 C ARG A 87 1.522 -0.217 -0.868 1.00 0.00 C ATOM 1295 O ARG A 87 0.749 -0.649 -1.724 1.00 0.00 O ATOM 1296 CB ARG A 87 2.406 -2.203 0.370 1.00 0.00 C ATOM 1297 CG ARG A 87 1.711 -3.236 -0.502 1.00 0.00 C ATOM 1298 CD ARG A 87 2.671 -4.329 -0.944 1.00 0.00 C ATOM 1299 NE ARG A 87 2.705 -5.442 0.001 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.675 -6.349 0.033 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.686 -6.275 -0.822 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.636 -7.333 0.923 1.00 0.00 N ATOM 0 H ARG A 87 -0.415 -1.320 0.377 1.00 0.00 H new ATOM 0 HA ARG A 87 2.173 -0.221 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.393 -1.996 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.559 -2.623 1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.882 -3.680 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.286 -2.747 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.375 -4.696 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.672 -3.911 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 87 1.942 -5.528 0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.720 -5.520 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.429 -6.973 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.861 -7.393 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.381 -8.029 0.947 1.00 0.00 H new ATOM 1316 N VAL A 88 2.298 0.844 -1.065 1.00 0.00 N ATOM 1317 CA VAL A 88 2.288 1.575 -2.326 1.00 0.00 C ATOM 1318 C VAL A 88 3.461 1.165 -3.209 1.00 0.00 C ATOM 1319 O VAL A 88 4.615 1.202 -2.783 1.00 0.00 O ATOM 1320 CB VAL A 88 2.342 3.097 -2.093 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.486 3.835 -3.415 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.104 3.565 -1.344 1.00 0.00 C ATOM 0 H VAL A 88 2.942 1.216 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 88 1.354 1.325 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 88 3.216 3.323 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.522 4.909 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.405 3.520 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.634 3.606 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.159 4.642 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.214 3.328 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.050 3.061 -0.379 1.00 0.00 H new ATOM 1332 N VAL A 89 3.158 0.775 -4.443 1.00 0.00 N ATOM 1333 CA VAL A 89 4.187 0.359 -5.388 1.00 0.00 C ATOM 1334 C VAL A 89 4.163 1.224 -6.643 1.00 0.00 C ATOM 1335 O VAL A 89 3.112 1.423 -7.252 1.00 0.00 O ATOM 1336 CB VAL A 89 4.015 -1.117 -5.792 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.069 -1.518 -6.813 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.079 -2.016 -4.566 1.00 0.00 C ATOM 0 H VAL A 89 2.208 0.739 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 89 5.146 0.481 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 89 3.034 -1.238 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.931 -2.564 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.970 -0.895 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.062 -1.383 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.956 -3.055 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.045 -1.894 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.283 -1.744 -3.873 1.00 0.00 H new ATOM 1348 N ALA A 90 5.328 1.736 -7.025 1.00 0.00 N ATOM 1349 CA ALA A 90 5.441 2.578 -8.210 1.00 0.00 C ATOM 1350 C ALA A 90 5.656 1.736 -9.463 1.00 0.00 C ATOM 1351 O ALA A 90 6.560 0.902 -9.515 1.00 0.00 O ATOM 1352 CB ALA A 90 6.577 3.576 -8.041 1.00 0.00 C ATOM 0 H ALA A 90 6.207 1.583 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 90 4.506 3.125 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.650 4.198 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.381 4.207 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.514 3.039 -7.895 1.00 0.00 H new ATOM 1358 N TYR A 91 4.820 1.961 -10.470 1.00 0.00 N ATOM 1359 CA TYR A 91 4.916 1.220 -11.723 1.00 0.00 C ATOM 1360 C TYR A 91 5.345 2.136 -12.865 1.00 0.00 C ATOM 1361 O TYR A 91 4.565 2.960 -13.342 1.00 0.00 O ATOM 1362 CB TYR A 91 3.575 0.564 -12.056 1.00 0.00 C ATOM 1363 CG TYR A 91 3.335 -0.733 -11.317 1.00 0.00 C ATOM 1364 CD1 TYR A 91 2.997 -0.735 -9.970 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.446 -1.956 -11.967 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.777 -1.918 -9.291 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.227 -3.144 -11.296 1.00 0.00 C ATOM 1368 CZ TYR A 91 2.894 -3.120 -9.958 1.00 0.00 C ATOM 1369 OH TYR A 91 2.675 -4.300 -9.286 1.00 0.00 O ATOM 0 H TYR A 91 4.068 2.650 -10.444 1.00 0.00 H new ATOM 0 HA TYR A 91 5.671 0.444 -11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.771 1.261 -11.820 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.529 0.375 -13.129 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.905 0.204 -9.444 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.708 -1.979 -13.015 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.515 -1.902 -8.243 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.316 -4.086 -11.817 1.00 0.00 H new ATOM 0 HH TYR A 91 2.037 -4.148 -8.558 1.00 0.00 H new ATOM 1379 N ASN A 92 6.592 1.984 -13.300 1.00 0.00 N ATOM 1380 CA ASN A 92 7.127 2.797 -14.387 1.00 0.00 C ATOM 1381 C ASN A 92 7.113 2.023 -15.702 1.00 0.00 C ATOM 1382 O ASN A 92 6.959 0.802 -15.715 1.00 0.00 O ATOM 1383 CB ASN A 92 8.553 3.246 -14.062 1.00 0.00 C ATOM 1384 CG ASN A 92 8.584 4.431 -13.116 1.00 0.00 C ATOM 1385 OD1 ASN A 92 7.620 4.689 -12.395 1.00 0.00 O ATOM 1386 ND2 ASN A 92 9.695 5.158 -13.115 1.00 0.00 N ATOM 0 H ASN A 92 7.251 1.306 -12.917 1.00 0.00 H new ATOM 0 HA ASN A 92 6.492 3.677 -14.496 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.100 2.415 -13.617 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.068 3.509 -14.986 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.774 5.968 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.469 4.907 -13.730 1.00 0.00 H new ATOM 1393 N LYS A 93 7.274 2.743 -16.807 1.00 0.00 N ATOM 1394 CA LYS A 93 7.282 2.126 -18.128 1.00 0.00 C ATOM 1395 C LYS A 93 8.046 0.807 -18.108 1.00 0.00 C ATOM 1396 O LYS A 93 7.746 -0.108 -18.876 1.00 0.00 O ATOM 1397 CB LYS A 93 7.908 3.075 -19.153 1.00 0.00 C ATOM 1398 CG LYS A 93 9.409 3.240 -18.991 1.00 0.00 C ATOM 1399 CD LYS A 93 9.746 4.400 -18.069 1.00 0.00 C ATOM 1400 CE LYS A 93 9.516 5.740 -18.751 1.00 0.00 C ATOM 1401 NZ LYS A 93 9.444 6.857 -17.770 1.00 0.00 N ATOM 0 H LYS A 93 7.401 3.755 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 93 6.250 1.923 -18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.698 2.703 -20.156 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.432 4.052 -19.069 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.836 2.320 -18.591 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.865 3.405 -19.967 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.135 4.339 -17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.787 4.325 -17.754 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.323 5.930 -19.459 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.590 5.701 -19.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.560 7.387 -17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.466 6.473 -16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.255 7.493 -17.908 1.00 0.00 H new ATOM 1415 N HIS A 94 9.035 0.714 -17.224 1.00 0.00 N ATOM 1416 CA HIS A 94 9.841 -0.496 -17.102 1.00 0.00 C ATOM 1417 C HIS A 94 9.067 -1.594 -16.379 1.00 0.00 C ATOM 1418 O HIS A 94 8.965 -2.719 -16.866 1.00 0.00 O ATOM 1419 CB HIS A 94 11.141 -0.195 -16.356 1.00 0.00 C ATOM 1420 CG HIS A 94 11.819 1.059 -16.815 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.524 1.144 -17.997 1.00 0.00 N ATOM 1422 CD2 HIS A 94 11.895 2.284 -16.245 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.007 2.366 -18.133 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.639 3.078 -17.083 1.00 0.00 N ATOM 0 H HIS A 94 9.297 1.462 -16.582 1.00 0.00 H new ATOM 0 HA HIS A 94 10.080 -0.846 -18.106 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.928 -0.114 -15.290 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.825 -1.035 -16.481 1.00 0.00 H new ATOM 0 HD1 HIS A 94 12.653 0.382 -18.663 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.453 2.582 -15.306 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.601 2.722 -18.961 1.00 0.00 H new ATOM 1433 N GLY A 95 8.524 -1.258 -15.212 1.00 0.00 N ATOM 1434 CA GLY A 95 7.768 -2.227 -14.441 1.00 0.00 C ATOM 1435 C GLY A 95 7.634 -1.830 -12.984 1.00 0.00 C ATOM 1436 O GLY A 95 7.902 -0.691 -12.601 1.00 0.00 O ATOM 0 H GLY A 95 8.594 -0.333 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.775 -2.339 -14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.256 -3.199 -14.506 1.00 0.00 H new ATOM 1440 N PRO A 96 7.208 -2.785 -12.143 1.00 0.00 N ATOM 1441 CA PRO A 96 7.028 -2.552 -10.707 1.00 0.00 C ATOM 1442 C PRO A 96 8.355 -2.366 -9.979 1.00 0.00 C ATOM 1443 O PRO A 96 9.241 -3.215 -10.058 1.00 0.00 O ATOM 1444 CB PRO A 96 6.328 -3.826 -10.226 1.00 0.00 C ATOM 1445 CG PRO A 96 6.726 -4.871 -11.210 1.00 0.00 C ATOM 1446 CD PRO A 96 6.870 -4.165 -12.530 1.00 0.00 C ATOM 0 HA PRO A 96 6.465 -1.640 -10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.641 -4.093 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.246 -3.698 -10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.663 -5.346 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.974 -5.658 -11.269 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.652 -4.614 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.948 -4.205 -13.110 1.00 0.00 H new ATOM 1454 N GLY A 97 8.484 -1.249 -9.269 1.00 0.00 N ATOM 1455 CA GLY A 97 9.706 -0.973 -8.537 1.00 0.00 C ATOM 1456 C GLY A 97 9.628 -1.418 -7.090 1.00 0.00 C ATOM 1457 O GLY A 97 8.767 -2.219 -6.724 1.00 0.00 O ATOM 0 H GLY A 97 7.764 -0.531 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.540 -1.478 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.915 0.096 -8.574 1.00 0.00 H new ATOM 1461 N VAL A 98 10.530 -0.898 -6.263 1.00 0.00 N ATOM 1462 CA VAL A 98 10.561 -1.247 -4.848 1.00 0.00 C ATOM 1463 C VAL A 98 9.153 -1.299 -4.264 1.00 0.00 C ATOM 1464 O VAL A 98 8.200 -0.809 -4.870 1.00 0.00 O ATOM 1465 CB VAL A 98 11.403 -0.241 -4.040 1.00 0.00 C ATOM 1466 CG1 VAL A 98 12.863 -0.307 -4.462 1.00 0.00 C ATOM 1467 CG2 VAL A 98 10.854 1.167 -4.207 1.00 0.00 C ATOM 0 H VAL A 98 11.249 -0.233 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 98 11.018 -2.234 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 98 11.343 -0.507 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.443 0.410 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.248 -1.312 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.947 -0.067 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.460 1.865 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.883 1.446 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.824 1.201 -3.851 1.00 0.00 H new ATOM 1477 N SER A 99 9.030 -1.896 -3.083 1.00 0.00 N ATOM 1478 CA SER A 99 7.738 -2.016 -2.418 1.00 0.00 C ATOM 1479 C SER A 99 7.788 -1.406 -1.020 1.00 0.00 C ATOM 1480 O SER A 99 8.559 -1.845 -0.166 1.00 0.00 O ATOM 1481 CB SER A 99 7.319 -3.484 -2.332 1.00 0.00 C ATOM 1482 OG SER A 99 6.127 -3.631 -1.580 1.00 0.00 O ATOM 0 H SER A 99 9.809 -2.304 -2.567 1.00 0.00 H new ATOM 0 HA SER A 99 7.002 -1.470 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.171 -3.883 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.117 -4.067 -1.872 1.00 0.00 H new ATOM 0 HG SER A 99 6.298 -4.207 -0.806 1.00 0.00 H new ATOM 1488 N THR A 100 6.960 -0.391 -0.794 1.00 0.00 N ATOM 1489 CA THR A 100 6.909 0.280 0.498 1.00 0.00 C ATOM 1490 C THR A 100 6.606 -0.707 1.620 1.00 0.00 C ATOM 1491 O THR A 100 6.043 -1.780 1.399 1.00 0.00 O ATOM 1492 CB THR A 100 5.847 1.395 0.511 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.683 0.971 -0.207 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.395 2.672 -0.110 1.00 0.00 C ATOM 0 H THR A 100 6.315 -0.016 -1.490 1.00 0.00 H new ATOM 0 HA THR A 100 7.892 0.722 0.662 1.00 0.00 H new ATOM 0 HB THR A 100 5.580 1.600 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.716 1.323 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.627 3.445 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.264 3.008 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.687 2.478 -1.142 1.00 0.00 H new ATOM 1502 N PRO A 101 6.987 -0.340 2.852 1.00 0.00 N ATOM 1503 CA PRO A 101 6.765 -1.179 4.033 1.00 0.00 C ATOM 1504 C PRO A 101 5.290 -1.271 4.410 1.00 0.00 C ATOM 1505 O PRO A 101 4.602 -0.256 4.512 1.00 0.00 O ATOM 1506 CB PRO A 101 7.554 -0.463 5.131 1.00 0.00 C ATOM 1507 CG PRO A 101 7.612 0.959 4.690 1.00 0.00 C ATOM 1508 CD PRO A 101 7.663 0.925 3.188 1.00 0.00 C ATOM 0 HA PRO A 101 7.080 -2.209 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.061 -0.558 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.553 -0.885 5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.739 1.511 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.490 1.459 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.153 1.782 2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.689 0.942 2.820 1.00 0.00 H new ATOM 1516 N ASP A 102 4.812 -2.494 4.615 1.00 0.00 N ATOM 1517 CA ASP A 102 3.419 -2.718 4.982 1.00 0.00 C ATOM 1518 C ASP A 102 2.944 -1.667 5.981 1.00 0.00 C ATOM 1519 O ASP A 102 3.712 -1.207 6.826 1.00 0.00 O ATOM 1520 CB ASP A 102 3.244 -4.117 5.574 1.00 0.00 C ATOM 1521 CG ASP A 102 3.602 -5.211 4.588 1.00 0.00 C ATOM 1522 OD1 ASP A 102 4.642 -5.081 3.908 1.00 0.00 O ATOM 1523 OD2 ASP A 102 2.844 -6.199 4.497 1.00 0.00 O ATOM 0 H ASP A 102 5.369 -3.345 4.533 1.00 0.00 H new ATOM 0 HA ASP A 102 2.814 -2.635 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.869 -4.213 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.211 -4.246 5.896 1.00 0.00 H new ATOM 1528 N VAL A 103 1.674 -1.290 5.877 1.00 0.00 N ATOM 1529 CA VAL A 103 1.096 -0.293 6.771 1.00 0.00 C ATOM 1530 C VAL A 103 -0.224 -0.780 7.357 1.00 0.00 C ATOM 1531 O VAL A 103 -1.299 -0.389 6.903 1.00 0.00 O ATOM 1532 CB VAL A 103 0.860 1.044 6.043 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.086 2.006 6.931 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.184 1.654 5.607 1.00 0.00 C ATOM 0 H VAL A 103 1.025 -1.660 5.182 1.00 0.00 H new ATOM 0 HA VAL A 103 1.813 -0.137 7.577 1.00 0.00 H new ATOM 0 HB VAL A 103 0.264 0.852 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.071 2.945 6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.879 1.568 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.652 2.195 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.998 2.598 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.808 1.833 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.695 0.969 4.931 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.135 -1.636 8.370 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.322 -2.174 9.022 1.00 0.00 C ATOM 1546 C ALA A 104 -2.013 -1.112 9.870 1.00 0.00 C ATOM 1547 O ALA A 104 -1.357 -0.333 10.562 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.955 -3.379 9.876 1.00 0.00 C ATOM 0 H ALA A 104 0.747 -1.972 8.757 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.019 -2.491 8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.851 -3.771 10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.515 -4.151 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.236 -3.079 10.638 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.341 -1.086 9.813 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.120 -0.119 10.576 1.00 0.00 C ATOM 1556 C VAL A 105 -5.490 -0.681 10.939 1.00 0.00 C ATOM 1557 O VAL A 105 -6.072 -1.460 10.184 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.307 1.194 9.794 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.212 0.975 8.591 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.867 2.279 10.702 1.00 0.00 C ATOM 0 H VAL A 105 -3.899 -1.724 9.246 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.561 0.087 11.489 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.333 1.522 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.333 1.914 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.766 0.231 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.187 0.623 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.993 3.200 10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.832 1.961 11.096 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.178 2.454 11.528 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.999 -0.282 12.100 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.301 -0.746 12.564 1.00 0.00 C ATOM 1572 C ARG A 106 -8.396 0.251 12.198 1.00 0.00 C ATOM 1573 O ARG A 106 -8.271 1.450 12.453 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.279 -0.963 14.078 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.367 -1.901 14.575 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.618 -1.724 16.064 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.459 -2.110 16.864 1.00 0.00 N ATOM 1578 CZ ARG A 106 -7.169 -3.367 17.178 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.949 -4.355 16.762 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -6.095 -3.639 17.910 1.00 0.00 N ATOM 0 H ARG A 106 -5.529 0.362 12.737 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.517 -1.694 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.307 -1.364 14.365 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.386 0.001 14.576 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.289 -1.714 14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.079 -2.933 14.374 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.869 -0.683 16.268 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.479 -2.323 16.360 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.838 -1.374 17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.775 -4.150 16.199 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.723 -5.320 17.005 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.492 -2.882 18.232 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.873 -4.605 18.151 1.00 0.00 H new ATOM 1594 N THR A 107 -9.471 -0.251 11.598 1.00 0.00 N ATOM 1595 CA THR A 107 -10.587 0.595 11.195 1.00 0.00 C ATOM 1596 C THR A 107 -11.380 1.072 12.407 1.00 0.00 C ATOM 1597 O THR A 107 -11.093 0.687 13.541 1.00 0.00 O ATOM 1598 CB THR A 107 -11.535 -0.146 10.234 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.787 -1.470 10.717 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.942 -0.215 8.835 1.00 0.00 C ATOM 0 H THR A 107 -9.592 -1.240 11.380 1.00 0.00 H new ATOM 0 HA THR A 107 -10.162 1.457 10.680 1.00 0.00 H new ATOM 0 HB THR A 107 -12.473 0.407 10.187 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.455 -1.905 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.629 -0.743 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.780 0.795 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.991 -0.747 8.869 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.380 1.911 12.160 1.00 0.00 N ATOM 1609 CA LEU A 108 -13.217 2.440 13.232 1.00 0.00 C ATOM 1610 C LEU A 108 -14.328 1.458 13.591 1.00 0.00 C ATOM 1611 O LEU A 108 -14.713 0.617 12.778 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.821 3.783 12.818 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.833 4.840 12.324 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.569 5.975 11.629 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -12.000 5.372 13.481 1.00 0.00 C ATOM 0 H LEU A 108 -12.631 2.240 11.228 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.590 2.586 14.111 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.553 3.602 12.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.364 4.192 13.670 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.162 4.374 11.603 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.850 6.718 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.122 5.582 10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.264 6.440 12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.302 6.123 13.112 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.657 5.822 14.226 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.444 4.552 13.936 1.00 0.00 H new ATOM 1627 N SER A 109 -14.840 1.572 14.812 1.00 0.00 N ATOM 1628 CA SER A 109 -15.906 0.694 15.279 1.00 0.00 C ATOM 1629 C SER A 109 -17.236 1.439 15.342 1.00 0.00 C ATOM 1630 O SER A 109 -17.281 2.623 15.678 1.00 0.00 O ATOM 1631 CB SER A 109 -15.561 0.126 16.657 1.00 0.00 C ATOM 1632 OG SER A 109 -16.731 -0.251 17.361 1.00 0.00 O ATOM 0 H SER A 109 -14.534 2.264 15.496 1.00 0.00 H new ATOM 0 HA SER A 109 -16.003 -0.127 14.569 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.907 -0.738 16.544 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.010 0.870 17.233 1.00 0.00 H new ATOM 0 HG SER A 109 -16.483 -0.612 18.238 1.00 0.00 H new ATOM 1638 N ASP A 110 -18.316 0.738 15.018 1.00 0.00 N ATOM 1639 CA ASP A 110 -19.648 1.331 15.038 1.00 0.00 C ATOM 1640 C ASP A 110 -20.385 0.967 16.323 1.00 0.00 C ATOM 1641 O ASP A 110 -20.978 1.826 16.975 1.00 0.00 O ATOM 1642 CB ASP A 110 -20.455 0.869 13.824 1.00 0.00 C ATOM 1643 CG ASP A 110 -21.841 1.481 13.782 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -21.945 2.722 13.876 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -22.822 0.718 13.656 1.00 0.00 O ATOM 0 H ASP A 110 -18.296 -0.243 14.738 1.00 0.00 H new ATOM 0 HA ASP A 110 -19.537 2.415 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -19.917 1.132 12.913 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -20.541 -0.217 13.841 1.00 0.00 H new ATOM 1650 N SER A 111 -20.345 -0.313 16.680 1.00 0.00 N ATOM 1651 CA SER A 111 -21.013 -0.792 17.884 1.00 0.00 C ATOM 1652 C SER A 111 -20.011 -1.416 18.850 1.00 0.00 C ATOM 1653 O SER A 111 -19.893 -0.992 19.999 1.00 0.00 O ATOM 1654 CB SER A 111 -22.093 -1.814 17.521 1.00 0.00 C ATOM 1655 OG SER A 111 -23.234 -1.177 16.973 1.00 0.00 O ATOM 0 H SER A 111 -19.857 -1.037 16.152 1.00 0.00 H new ATOM 0 HA SER A 111 -21.480 0.062 18.374 1.00 0.00 H new ATOM 0 HB2 SER A 111 -21.693 -2.531 16.804 1.00 0.00 H new ATOM 0 HB3 SER A 111 -22.379 -2.377 18.409 1.00 0.00 H new ATOM 0 HG SER A 111 -23.909 -1.851 16.748 1.00 0.00 H new ATOM 1661 N GLY A 112 -19.290 -2.427 18.375 1.00 0.00 N ATOM 1662 CA GLY A 112 -18.307 -3.094 19.208 1.00 0.00 C ATOM 1663 C GLY A 112 -18.931 -3.769 20.413 1.00 0.00 C ATOM 1664 O GLY A 112 -20.136 -3.676 20.649 1.00 0.00 O ATOM 0 H GLY A 112 -19.369 -2.796 17.427 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -17.776 -3.837 18.614 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -17.568 -2.367 19.545 1.00 0.00 H new ATOM 1668 N PRO A 113 -18.101 -4.470 21.199 1.00 0.00 N ATOM 1669 CA PRO A 113 -18.556 -5.179 22.399 1.00 0.00 C ATOM 1670 C PRO A 113 -18.966 -4.225 23.515 1.00 0.00 C ATOM 1671 O PRO A 113 -19.340 -4.655 24.606 1.00 0.00 O ATOM 1672 CB PRO A 113 -17.330 -5.995 22.816 1.00 0.00 C ATOM 1673 CG PRO A 113 -16.169 -5.245 22.259 1.00 0.00 C ATOM 1674 CD PRO A 113 -16.653 -4.624 20.978 1.00 0.00 C ATOM 0 HA PRO A 113 -19.441 -5.784 22.203 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.262 -6.082 23.900 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.375 -7.009 22.418 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.826 -4.482 22.958 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.326 -5.911 22.076 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.171 -3.665 20.789 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.443 -5.261 20.118 1.00 0.00 H new ATOM 1682 N SER A 114 -18.893 -2.928 23.236 1.00 0.00 N ATOM 1683 CA SER A 114 -19.254 -1.912 24.218 1.00 0.00 C ATOM 1684 C SER A 114 -20.525 -2.305 24.964 1.00 0.00 C ATOM 1685 O SER A 114 -21.298 -3.143 24.498 1.00 0.00 O ATOM 1686 CB SER A 114 -19.448 -0.557 23.535 1.00 0.00 C ATOM 1687 OG SER A 114 -20.771 -0.417 23.048 1.00 0.00 O ATOM 0 H SER A 114 -18.587 -2.555 22.337 1.00 0.00 H new ATOM 0 HA SER A 114 -18.440 -1.834 24.939 1.00 0.00 H new ATOM 0 HB2 SER A 114 -19.230 0.244 24.241 1.00 0.00 H new ATOM 0 HB3 SER A 114 -18.741 -0.457 22.711 1.00 0.00 H new ATOM 0 HG SER A 114 -20.781 -0.569 22.080 1.00 0.00 H new ATOM 1693 N SER A 115 -20.736 -1.694 26.125 1.00 0.00 N ATOM 1694 CA SER A 115 -21.911 -1.982 26.939 1.00 0.00 C ATOM 1695 C SER A 115 -22.912 -0.832 26.873 1.00 0.00 C ATOM 1696 O SER A 115 -24.119 -1.050 26.772 1.00 0.00 O ATOM 1697 CB SER A 115 -21.502 -2.235 28.391 1.00 0.00 C ATOM 1698 OG SER A 115 -20.798 -1.127 28.924 1.00 0.00 O ATOM 0 H SER A 115 -20.108 -0.996 26.523 1.00 0.00 H new ATOM 0 HA SER A 115 -22.387 -2.879 26.542 1.00 0.00 H new ATOM 0 HB2 SER A 115 -22.389 -2.430 28.993 1.00 0.00 H new ATOM 0 HB3 SER A 115 -20.878 -3.127 28.446 1.00 0.00 H new ATOM 0 HG SER A 115 -20.550 -1.314 29.853 1.00 0.00 H new ATOM 1704 N GLY A 116 -22.400 0.394 26.932 1.00 0.00 N ATOM 1705 CA GLY A 116 -23.262 1.560 26.879 1.00 0.00 C ATOM 1706 C GLY A 116 -22.485 2.859 26.963 1.00 0.00 C ATOM 1707 O GLY A 116 -22.091 3.285 28.048 1.00 0.00 O ATOM 0 H GLY A 116 -21.405 0.600 27.015 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.835 1.542 25.952 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -23.979 1.515 27.699 1.00 0.00 H new TER 1711 GLY A 116