USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 913 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 19 HIS :FLIP no HE2:sc= -2.87 F(o=-9.4!,f=-6.1) USER MOD Set 1.2: A 75 ASN :FLIP amide:sc= -3.27 F(o=-6.7,f=-6.1) USER MOD Set 2.1: A 67 HIS :FLIP no HD1:sc= -1.3 F(o=-3.7,f=-2.7) USER MOD Set 2.2: A 72 THR OG1 : rot 29:sc= -1.42 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.977 K(o=-1.9,f=-7.1!) USER MOD Set 3.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 38 HIS :FLIP no HD1:sc= -0.934 F(o=-3.2,f=-1.9) USER MOD Set 4.1: A 2 THR OG1 : rot 149:sc= 0.319 USER MOD Set 4.2: A 36 ASN : amide:sc= 0.174 K(o=0.49,f=-1.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.754 (180deg=0.737) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -116:sc= -1.22 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.242 (180deg=-0.943) USER MOD Single : A 9 GLN : amide:sc= -5.96! C(o=-6!,f=-10!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -161:sc= -1.06 USER MOD Single : A 18 GLN : amide:sc= -0.705 K(o=-0.71,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -128:sc= -0.0909 (180deg=-1.78!) USER MOD Single : A 31 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.51) USER MOD Single : A 32 THR OG1 : rot 172:sc= -2.27 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.464 F(o=-1.8,f=-0.46) USER MOD Single : A 42 SER OG : rot 160:sc= -1.97 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.941 F(o=-2!,f=-0.94) USER MOD Single : A 56 THR OG1 : rot -81:sc= 1.07 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0174 (180deg=-0.212) USER MOD Single : A 70 MET CE :methyl 164:sc= -0.0494 (180deg=-0.415) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 79 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6!) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -0.15 (180deg=-0.623) USER MOD Single : A 84 GLN :FLIP amide:sc= -7.94! C(o=-12!,f=-7.9!) USER MOD Single : A 86 ASN : amide:sc= -6.11! C(o=-6.1!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -3.27 K(o=-3.3,f=-9.6!) USER MOD Single : A 90 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.44) USER MOD Single : A 91 LYS NZ :NH3+ -96:sc= -0.27 (180deg=-1.35!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 102 LYS NZ :NH3+ -162:sc= -0.0392 (180deg=-0.768) USER MOD Single : A 105 ASN : amide:sc= -0.265 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.417 -1.896 -7.231 1.00 0.00 N ATOM 2 CA MET A 1 185.403 -1.515 -8.251 1.00 0.00 C ATOM 3 C MET A 1 184.664 -2.740 -8.779 1.00 0.00 C ATOM 4 O MET A 1 184.199 -2.751 -9.920 1.00 0.00 O ATOM 5 CB MET A 1 186.113 -0.791 -9.397 1.00 0.00 C ATOM 6 CG MET A 1 187.108 -1.665 -10.144 1.00 0.00 C ATOM 7 SD MET A 1 187.025 -1.444 -11.931 1.00 0.00 S ATOM 8 CE MET A 1 188.374 -0.297 -12.193 1.00 0.00 C ATOM 0 H1 MET A 1 186.892 -1.041 -6.877 1.00 0.00 H new ATOM 0 H2 MET A 1 185.948 -2.384 -6.441 1.00 0.00 H new ATOM 0 H3 MET A 1 187.120 -2.530 -7.661 1.00 0.00 H new ATOM 0 HA MET A 1 184.663 -0.859 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 185.367 -0.422 -10.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.634 0.080 -8.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.117 -1.435 -9.800 1.00 0.00 H new ATOM 0 HG3 MET A 1 186.919 -2.711 -9.902 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.451 -0.062 -13.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.187 0.618 -11.632 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.306 -0.748 -11.853 1.00 0.00 H new ATOM 20 N THR A 2 184.557 -3.769 -7.946 1.00 0.00 N ATOM 21 CA THR A 2 183.874 -4.998 -8.334 1.00 0.00 C ATOM 22 C THR A 2 182.361 -4.850 -8.192 1.00 0.00 C ATOM 23 O THR A 2 181.596 -5.510 -8.896 1.00 0.00 O ATOM 24 CB THR A 2 184.364 -6.170 -7.481 1.00 0.00 C ATOM 25 OG1 THR A 2 185.701 -5.959 -7.061 1.00 0.00 O ATOM 26 CG2 THR A 2 184.313 -7.498 -8.205 1.00 0.00 C ATOM 0 H THR A 2 184.934 -3.777 -6.998 1.00 0.00 H new ATOM 0 HA THR A 2 184.105 -5.196 -9.381 1.00 0.00 H new ATOM 0 HB THR A 2 183.685 -6.213 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.839 -6.380 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.674 -8.287 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.286 -7.713 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.943 -7.452 -9.093 1.00 0.00 H new ATOM 34 N MET A 3 181.937 -3.981 -7.280 1.00 0.00 N ATOM 35 CA MET A 3 180.515 -3.749 -7.048 1.00 0.00 C ATOM 36 C MET A 3 179.836 -5.011 -6.526 1.00 0.00 C ATOM 37 O MET A 3 179.155 -5.716 -7.272 1.00 0.00 O ATOM 38 CB MET A 3 179.834 -3.284 -8.337 1.00 0.00 C ATOM 39 CG MET A 3 178.585 -2.450 -8.099 1.00 0.00 C ATOM 40 SD MET A 3 177.769 -1.967 -9.632 1.00 0.00 S ATOM 41 CE MET A 3 177.461 -0.232 -9.320 1.00 0.00 C ATOM 0 H MET A 3 182.557 -3.426 -6.690 1.00 0.00 H new ATOM 0 HA MET A 3 180.419 -2.968 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.544 -2.701 -8.923 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.570 -4.157 -8.934 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.887 -3.017 -7.483 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.852 -1.555 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.959 0.209 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.829 -0.128 -8.438 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.408 0.281 -9.150 1.00 0.00 H new ATOM 51 N ASN A 4 180.026 -5.291 -5.242 1.00 0.00 N ATOM 52 CA ASN A 4 179.433 -6.469 -4.620 1.00 0.00 C ATOM 53 C ASN A 4 178.214 -6.087 -3.785 1.00 0.00 C ATOM 54 O ASN A 4 178.332 -5.388 -2.779 1.00 0.00 O ATOM 55 CB ASN A 4 180.466 -7.184 -3.744 1.00 0.00 C ATOM 56 CG ASN A 4 180.816 -8.562 -4.270 1.00 0.00 C ATOM 57 OD1 ASN A 4 180.799 -9.545 -3.530 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.137 -8.640 -5.557 1.00 0.00 N ATOM 0 H ASN A 4 180.586 -4.718 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 4 179.110 -7.145 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.371 -6.579 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.078 -7.273 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.382 -9.541 -5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.138 -7.799 -6.134 1.00 0.00 H new ATOM 65 N ILE A 5 177.044 -6.550 -4.211 1.00 0.00 N ATOM 66 CA ILE A 5 175.802 -6.257 -3.503 1.00 0.00 C ATOM 67 C ILE A 5 175.005 -7.532 -3.249 1.00 0.00 C ATOM 68 O ILE A 5 174.421 -8.105 -4.169 1.00 0.00 O ATOM 69 CB ILE A 5 174.922 -5.261 -4.288 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.789 -4.232 -5.018 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.947 -4.567 -3.351 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.996 -3.277 -5.884 1.00 0.00 C ATOM 0 H ILE A 5 176.929 -7.129 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 5 176.080 -5.806 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 5 174.353 -5.817 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.354 -3.659 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.514 -4.756 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.333 -3.867 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.306 -5.310 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.502 -4.025 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.675 -2.577 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.452 -3.840 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.289 -2.725 -5.264 1.00 0.00 H new ATOM 84 N THR A 6 174.989 -7.975 -1.994 1.00 0.00 N ATOM 85 CA THR A 6 174.266 -9.186 -1.619 1.00 0.00 C ATOM 86 C THR A 6 173.339 -8.926 -0.436 1.00 0.00 C ATOM 87 O THR A 6 173.793 -8.772 0.698 1.00 0.00 O ATOM 88 CB THR A 6 175.253 -10.302 -1.274 1.00 0.00 C ATOM 89 OG1 THR A 6 176.340 -10.310 -2.183 1.00 0.00 O ATOM 90 CG2 THR A 6 174.630 -11.680 -1.293 1.00 0.00 C ATOM 0 H THR A 6 175.468 -7.514 -1.221 1.00 0.00 H new ATOM 0 HA THR A 6 173.657 -9.495 -2.469 1.00 0.00 H new ATOM 0 HB THR A 6 175.588 -10.086 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.961 -11.030 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 6 175.385 -12.424 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 6 173.820 -11.723 -0.565 1.00 0.00 H new ATOM 0 HG23 THR A 6 174.236 -11.887 -2.288 1.00 0.00 H new ATOM 98 N SER A 7 172.039 -8.872 -0.708 1.00 0.00 N ATOM 99 CA SER A 7 171.048 -8.622 0.334 1.00 0.00 C ATOM 100 C SER A 7 170.503 -9.926 0.906 1.00 0.00 C ATOM 101 O SER A 7 170.440 -10.944 0.216 1.00 0.00 O ATOM 102 CB SER A 7 169.905 -7.774 -0.220 1.00 0.00 C ATOM 103 OG SER A 7 170.262 -6.405 -0.247 1.00 0.00 O ATOM 0 H SER A 7 171.647 -8.998 -1.641 1.00 0.00 H new ATOM 0 HA SER A 7 171.539 -8.079 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.653 -8.109 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.015 -7.910 0.394 1.00 0.00 H new ATOM 0 HG SER A 7 169.681 -5.903 0.362 1.00 0.00 H new ATOM 109 N LYS A 8 170.114 -9.886 2.177 1.00 0.00 N ATOM 110 CA LYS A 8 169.576 -11.059 2.854 1.00 0.00 C ATOM 111 C LYS A 8 168.056 -10.971 2.973 1.00 0.00 C ATOM 112 O LYS A 8 167.510 -9.918 3.308 1.00 0.00 O ATOM 113 CB LYS A 8 170.202 -11.197 4.240 1.00 0.00 C ATOM 114 CG LYS A 8 170.265 -12.631 4.743 1.00 0.00 C ATOM 115 CD LYS A 8 171.202 -12.763 5.932 1.00 0.00 C ATOM 116 CE LYS A 8 171.444 -14.220 6.293 1.00 0.00 C ATOM 117 NZ LYS A 8 171.713 -15.053 5.089 1.00 0.00 N ATOM 0 H LYS A 8 170.162 -9.050 2.760 1.00 0.00 H new ATOM 0 HA LYS A 8 169.822 -11.939 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.211 -10.785 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.630 -10.598 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.266 -12.962 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.601 -13.285 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 8 172.153 -12.281 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.779 -12.240 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 8 172.289 -14.289 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.574 -14.613 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 172.195 -15.929 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 170.814 -15.288 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 172.318 -14.524 4.429 1.00 0.00 H new ATOM 131 N GLN A 9 167.378 -12.080 2.689 1.00 0.00 N ATOM 132 CA GLN A 9 165.917 -12.131 2.755 1.00 0.00 C ATOM 133 C GLN A 9 165.294 -10.989 1.958 1.00 0.00 C ATOM 134 O GLN A 9 164.174 -10.563 2.243 1.00 0.00 O ATOM 135 CB GLN A 9 165.420 -12.066 4.204 1.00 0.00 C ATOM 136 CG GLN A 9 166.441 -12.512 5.246 1.00 0.00 C ATOM 137 CD GLN A 9 167.133 -11.357 5.954 1.00 0.00 C ATOM 138 OE1 GLN A 9 168.285 -11.479 6.369 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.438 -10.232 6.113 1.00 0.00 N ATOM 0 H GLN A 9 167.816 -12.958 2.410 1.00 0.00 H new ATOM 0 HA GLN A 9 165.611 -13.082 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 9 165.118 -11.042 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.530 -12.688 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.942 -13.135 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 9 167.194 -13.134 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.485 -10.167 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.859 -9.436 6.592 1.00 0.00 H new ATOM 148 N MET A 10 166.024 -10.491 0.967 1.00 0.00 N ATOM 149 CA MET A 10 165.537 -9.391 0.144 1.00 0.00 C ATOM 150 C MET A 10 166.536 -9.058 -0.961 1.00 0.00 C ATOM 151 O MET A 10 167.734 -9.303 -0.822 1.00 0.00 O ATOM 152 CB MET A 10 165.282 -8.160 1.018 1.00 0.00 C ATOM 153 CG MET A 10 164.879 -6.921 0.233 1.00 0.00 C ATOM 154 SD MET A 10 163.269 -7.094 -0.560 1.00 0.00 S ATOM 155 CE MET A 10 162.182 -6.565 0.761 1.00 0.00 C ATOM 0 H MET A 10 166.952 -10.830 0.715 1.00 0.00 H new ATOM 0 HA MET A 10 164.601 -9.696 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.497 -8.394 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.183 -7.939 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.859 -6.062 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.633 -6.715 -0.526 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.147 -6.616 0.423 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.315 -7.217 1.624 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.422 -5.539 1.041 1.00 0.00 H new ATOM 165 N GLU A 11 166.035 -8.497 -2.055 1.00 0.00 N ATOM 166 CA GLU A 11 166.884 -8.128 -3.182 1.00 0.00 C ATOM 167 C GLU A 11 167.028 -6.613 -3.280 1.00 0.00 C ATOM 168 O GLU A 11 166.331 -5.868 -2.591 1.00 0.00 O ATOM 169 CB GLU A 11 166.307 -8.683 -4.488 1.00 0.00 C ATOM 170 CG GLU A 11 166.616 -10.154 -4.711 1.00 0.00 C ATOM 171 CD GLU A 11 165.859 -10.735 -5.890 1.00 0.00 C ATOM 172 OE1 GLU A 11 165.821 -10.081 -6.953 1.00 0.00 O ATOM 173 OE2 GLU A 11 165.303 -11.845 -5.749 1.00 0.00 O ATOM 0 H GLU A 11 165.045 -8.288 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 11 167.871 -8.560 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.226 -8.543 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.702 -8.106 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 11 167.687 -10.276 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 11 166.366 -10.715 -3.811 1.00 0.00 H new ATOM 180 N ILE A 12 167.940 -6.162 -4.136 1.00 0.00 N ATOM 181 CA ILE A 12 168.174 -4.733 -4.318 1.00 0.00 C ATOM 182 C ILE A 12 167.139 -4.120 -5.254 1.00 0.00 C ATOM 183 O ILE A 12 166.938 -4.595 -6.372 1.00 0.00 O ATOM 184 CB ILE A 12 169.583 -4.452 -4.883 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.612 -5.416 -4.283 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.982 -3.010 -4.609 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.567 -5.490 -2.773 1.00 0.00 C ATOM 0 H ILE A 12 168.528 -6.763 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 12 168.089 -4.277 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 12 169.559 -4.609 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.445 -6.412 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.610 -5.107 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.978 -2.825 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.267 -2.338 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.988 -2.832 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.323 -6.192 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.764 -4.503 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.581 -5.829 -2.455 1.00 0.00 H new ATOM 199 N THR A 13 166.488 -3.059 -4.789 1.00 0.00 N ATOM 200 CA THR A 13 165.476 -2.374 -5.585 1.00 0.00 C ATOM 201 C THR A 13 166.096 -1.205 -6.345 1.00 0.00 C ATOM 202 O THR A 13 167.149 -0.697 -5.962 1.00 0.00 O ATOM 203 CB THR A 13 164.334 -1.877 -4.687 1.00 0.00 C ATOM 204 OG1 THR A 13 164.606 -0.573 -4.203 1.00 0.00 O ATOM 205 CG2 THR A 13 164.076 -2.765 -3.488 1.00 0.00 C ATOM 0 H THR A 13 166.643 -2.655 -3.865 1.00 0.00 H new ATOM 0 HA THR A 13 165.069 -3.082 -6.307 1.00 0.00 H new ATOM 0 HB THR A 13 163.448 -1.888 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.047 -0.392 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.257 -2.352 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.811 -3.766 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.975 -2.816 -2.873 1.00 0.00 H new ATOM 213 N PRO A 14 165.451 -0.759 -7.438 1.00 0.00 N ATOM 214 CA PRO A 14 165.951 0.357 -8.246 1.00 0.00 C ATOM 215 C PRO A 14 166.261 1.587 -7.400 1.00 0.00 C ATOM 216 O PRO A 14 167.272 2.259 -7.605 1.00 0.00 O ATOM 217 CB PRO A 14 164.800 0.651 -9.224 1.00 0.00 C ATOM 218 CG PRO A 14 163.628 -0.119 -8.710 1.00 0.00 C ATOM 219 CD PRO A 14 164.194 -1.295 -7.971 1.00 0.00 C ATOM 0 HA PRO A 14 166.888 0.107 -8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.581 1.718 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.058 0.342 -10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.016 0.497 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.987 -0.445 -9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.528 -1.634 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.363 -2.146 -8.631 1.00 0.00 H new ATOM 227 N ALA A 15 165.384 1.876 -6.446 1.00 0.00 N ATOM 228 CA ALA A 15 165.561 3.025 -5.565 1.00 0.00 C ATOM 229 C ALA A 15 166.810 2.869 -4.704 1.00 0.00 C ATOM 230 O ALA A 15 167.589 3.810 -4.545 1.00 0.00 O ATOM 231 CB ALA A 15 164.333 3.209 -4.688 1.00 0.00 C ATOM 0 H ALA A 15 164.542 1.330 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 15 165.688 3.912 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.478 4.070 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.458 3.374 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.181 2.316 -4.082 1.00 0.00 H new ATOM 237 N ILE A 16 166.995 1.675 -4.147 1.00 0.00 N ATOM 238 CA ILE A 16 168.150 1.398 -3.299 1.00 0.00 C ATOM 239 C ILE A 16 169.442 1.396 -4.109 1.00 0.00 C ATOM 240 O ILE A 16 170.404 2.078 -3.756 1.00 0.00 O ATOM 241 CB ILE A 16 168.003 0.047 -2.571 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.671 -0.006 -1.818 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.167 -0.174 -1.614 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.445 -1.308 -1.080 1.00 0.00 C ATOM 0 H ILE A 16 166.361 0.885 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 16 168.196 2.195 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 16 168.015 -0.751 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.633 0.818 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.856 0.147 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.046 -1.132 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.103 -0.174 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.186 0.626 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.482 -1.275 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.451 -2.135 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.239 -1.454 -0.348 1.00 0.00 H new ATOM 256 N ARG A 17 169.464 0.625 -5.193 1.00 0.00 N ATOM 257 CA ARG A 17 170.648 0.543 -6.044 1.00 0.00 C ATOM 258 C ARG A 17 171.090 1.933 -6.499 1.00 0.00 C ATOM 259 O ARG A 17 172.273 2.170 -6.746 1.00 0.00 O ATOM 260 CB ARG A 17 170.381 -0.361 -7.253 1.00 0.00 C ATOM 261 CG ARG A 17 169.536 0.284 -8.341 1.00 0.00 C ATOM 262 CD ARG A 17 170.305 0.416 -9.647 1.00 0.00 C ATOM 263 NE ARG A 17 169.869 -0.565 -10.638 1.00 0.00 N ATOM 264 CZ ARG A 17 170.599 -0.936 -11.688 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.800 -0.410 -11.889 1.00 0.00 N ATOM 266 NH2 ARG A 17 170.125 -1.834 -12.539 1.00 0.00 N ATOM 0 H ARG A 17 168.680 0.051 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 17 171.457 0.106 -5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.335 -0.665 -7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.882 -1.268 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.638 -0.312 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.208 1.270 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.170 1.421 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.370 0.289 -9.455 1.00 0.00 H new ATOM 0 HE ARG A 17 168.950 -0.991 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 17 172.169 0.283 -11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 17 172.355 -0.698 -12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 17 169.202 -2.241 -12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 17 170.684 -2.119 -13.344 1.00 0.00 H new ATOM 280 N GLN A 18 170.131 2.851 -6.599 1.00 0.00 N ATOM 281 CA GLN A 18 170.426 4.216 -7.014 1.00 0.00 C ATOM 282 C GLN A 18 171.210 4.947 -5.927 1.00 0.00 C ATOM 283 O GLN A 18 172.311 5.442 -6.169 1.00 0.00 O ATOM 284 CB GLN A 18 169.130 4.969 -7.328 1.00 0.00 C ATOM 285 CG GLN A 18 169.080 5.529 -8.740 1.00 0.00 C ATOM 286 CD GLN A 18 169.344 4.473 -9.796 1.00 0.00 C ATOM 287 OE1 GLN A 18 168.845 3.351 -9.706 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.133 4.826 -10.804 1.00 0.00 N ATOM 0 H GLN A 18 169.147 2.673 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 18 171.036 4.178 -7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.284 4.297 -7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.013 5.787 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.101 5.976 -8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.817 6.327 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.525 5.767 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.347 4.156 -11.543 1.00 0.00 H new ATOM 297 N HIS A 19 170.638 5.003 -4.727 1.00 0.00 N ATOM 298 CA HIS A 19 171.283 5.667 -3.596 1.00 0.00 C ATOM 299 C HIS A 19 172.724 5.187 -3.437 1.00 0.00 C ATOM 300 O HIS A 19 173.659 5.986 -3.450 1.00 0.00 O ATOM 301 CB HIS A 19 170.497 5.396 -2.309 1.00 0.00 C ATOM 302 CG HIS A 19 169.814 6.607 -1.751 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.601 7.142 -2.019 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 170.378 7.415 -0.786 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.456 8.248 -1.223 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 169.537 8.390 -0.489 1.00 0.00 N flip ATOM 0 H HIS A 19 169.728 4.596 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 19 171.295 6.740 -3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.750 4.627 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.177 4.995 -1.557 1.00 0.00 H new ATOM 0 HD1 HIS A 19 167.920 6.787 -2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 19 171.353 7.273 -0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.593 8.898 -1.202 1.00 0.00 H new ATOM 315 N VAL A 20 172.896 3.878 -3.296 1.00 0.00 N ATOM 316 CA VAL A 20 174.225 3.298 -3.144 1.00 0.00 C ATOM 317 C VAL A 20 175.110 3.656 -4.333 1.00 0.00 C ATOM 318 O VAL A 20 176.327 3.787 -4.197 1.00 0.00 O ATOM 319 CB VAL A 20 174.162 1.764 -3.004 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.661 1.374 -1.622 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.286 1.160 -4.092 1.00 0.00 C ATOM 0 H VAL A 20 172.134 3.200 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 20 174.653 3.715 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 20 175.169 1.366 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.623 0.288 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 20 174.337 1.770 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 20 172.663 1.784 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.255 0.077 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.276 1.563 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 20 173.698 1.407 -5.070 1.00 0.00 H new ATOM 331 N ALA A 21 174.489 3.818 -5.497 1.00 0.00 N ATOM 332 CA ALA A 21 175.219 4.167 -6.709 1.00 0.00 C ATOM 333 C ALA A 21 175.799 5.573 -6.611 1.00 0.00 C ATOM 334 O ALA A 21 177.008 5.767 -6.744 1.00 0.00 O ATOM 335 CB ALA A 21 174.309 4.049 -7.925 1.00 0.00 C ATOM 0 H ALA A 21 173.483 3.713 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 21 176.048 3.468 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.867 4.312 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.947 3.025 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.462 4.725 -7.812 1.00 0.00 H new ATOM 341 N ASP A 22 174.931 6.554 -6.377 1.00 0.00 N ATOM 342 CA ASP A 22 175.363 7.943 -6.259 1.00 0.00 C ATOM 343 C ASP A 22 176.368 8.103 -5.121 1.00 0.00 C ATOM 344 O ASP A 22 177.289 8.917 -5.203 1.00 0.00 O ATOM 345 CB ASP A 22 174.163 8.871 -6.036 1.00 0.00 C ATOM 346 CG ASP A 22 173.153 8.308 -5.058 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.404 8.386 -3.836 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.111 7.796 -5.511 1.00 0.00 O ATOM 0 H ASP A 22 173.927 6.413 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 22 175.848 8.222 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 22 174.519 9.834 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.671 9.056 -6.991 1.00 0.00 H new ATOM 353 N ARG A 23 176.189 7.317 -4.065 1.00 0.00 N ATOM 354 CA ARG A 23 177.085 7.368 -2.916 1.00 0.00 C ATOM 355 C ARG A 23 178.451 6.793 -3.273 1.00 0.00 C ATOM 356 O ARG A 23 179.485 7.405 -3.004 1.00 0.00 O ATOM 357 CB ARG A 23 176.486 6.597 -1.739 1.00 0.00 C ATOM 358 CG ARG A 23 177.327 6.667 -0.475 1.00 0.00 C ATOM 359 CD ARG A 23 176.645 5.968 0.690 1.00 0.00 C ATOM 360 NE ARG A 23 176.293 4.587 0.370 1.00 0.00 N ATOM 361 CZ ARG A 23 177.176 3.595 0.296 1.00 0.00 C ATOM 362 NH1 ARG A 23 178.465 3.827 0.516 1.00 0.00 N ATOM 363 NH2 ARG A 23 176.772 2.367 0.001 1.00 0.00 N ATOM 0 H ARG A 23 175.433 6.638 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 23 177.211 8.412 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.492 6.990 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.361 5.553 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 178.298 6.207 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 23 177.511 7.710 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 23 177.305 5.982 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.745 6.517 0.965 1.00 0.00 H new ATOM 0 HE ARG A 23 175.312 4.371 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 23 178.782 4.770 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 23 179.138 3.063 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.783 2.182 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 23 177.450 1.607 -0.056 1.00 0.00 H new ATOM 377 N LEU A 24 178.447 5.612 -3.884 1.00 0.00 N ATOM 378 CA LEU A 24 179.686 4.954 -4.284 1.00 0.00 C ATOM 379 C LEU A 24 180.474 5.830 -5.253 1.00 0.00 C ATOM 380 O LEU A 24 181.704 5.802 -5.270 1.00 0.00 O ATOM 381 CB LEU A 24 179.383 3.600 -4.929 1.00 0.00 C ATOM 382 CG LEU A 24 180.609 2.734 -5.227 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.467 2.577 -3.981 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.183 1.374 -5.758 1.00 0.00 C ATOM 0 H LEU A 24 177.600 5.092 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 24 180.291 4.794 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.715 3.043 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.843 3.771 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 24 181.205 3.231 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 24 182.334 1.958 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.801 3.558 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.882 2.102 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.067 0.771 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.566 0.870 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.610 1.505 -6.676 1.00 0.00 H new ATOM 396 N ALA A 25 179.753 6.609 -6.053 1.00 0.00 N ATOM 397 CA ALA A 25 180.385 7.497 -7.020 1.00 0.00 C ATOM 398 C ALA A 25 181.119 8.632 -6.317 1.00 0.00 C ATOM 399 O ALA A 25 182.239 8.985 -6.687 1.00 0.00 O ATOM 400 CB ALA A 25 179.346 8.055 -7.983 1.00 0.00 C ATOM 0 H ALA A 25 178.734 6.643 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 25 181.115 6.919 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.832 8.717 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.865 7.234 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.595 8.614 -7.424 1.00 0.00 H new ATOM 406 N LYS A 26 180.484 9.198 -5.294 1.00 0.00 N ATOM 407 CA LYS A 26 181.079 10.290 -4.534 1.00 0.00 C ATOM 408 C LYS A 26 182.399 9.852 -3.905 1.00 0.00 C ATOM 409 O LYS A 26 183.356 10.623 -3.843 1.00 0.00 O ATOM 410 CB LYS A 26 180.113 10.771 -3.449 1.00 0.00 C ATOM 411 CG LYS A 26 179.414 12.077 -3.794 1.00 0.00 C ATOM 412 CD LYS A 26 179.764 13.185 -2.808 1.00 0.00 C ATOM 413 CE LYS A 26 178.563 13.582 -1.965 1.00 0.00 C ATOM 414 NZ LYS A 26 178.305 12.607 -0.869 1.00 0.00 N ATOM 0 H LYS A 26 179.557 8.917 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 26 181.279 11.114 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.361 10.001 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.661 10.897 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.695 12.385 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.335 11.922 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 26 180.572 12.852 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 26 180.131 14.055 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.730 14.571 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 26 177.681 13.654 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 177.478 12.915 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 178.120 11.668 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 179.136 12.557 -0.246 1.00 0.00 H new ATOM 428 N LEU A 27 182.441 8.605 -3.443 1.00 0.00 N ATOM 429 CA LEU A 27 183.644 8.060 -2.822 1.00 0.00 C ATOM 430 C LEU A 27 184.828 8.117 -3.784 1.00 0.00 C ATOM 431 O LEU A 27 185.982 8.166 -3.360 1.00 0.00 O ATOM 432 CB LEU A 27 183.401 6.614 -2.375 1.00 0.00 C ATOM 433 CG LEU A 27 183.638 6.346 -0.887 1.00 0.00 C ATOM 434 CD1 LEU A 27 185.005 6.858 -0.460 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.540 6.986 -0.050 1.00 0.00 C ATOM 0 H LEU A 27 181.657 7.954 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 27 183.881 8.668 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 27 182.374 6.343 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 184.050 5.957 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 27 183.612 5.269 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 27 185.153 6.658 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 27 185.779 6.352 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 27 185.063 7.932 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.724 6.786 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 27 182.534 8.063 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 181.575 6.568 -0.336 1.00 0.00 H new ATOM 447 N GLU A 28 184.534 8.111 -5.081 1.00 0.00 N ATOM 448 CA GLU A 28 185.574 8.159 -6.106 1.00 0.00 C ATOM 449 C GLU A 28 186.546 9.307 -5.853 1.00 0.00 C ATOM 450 O GLU A 28 187.748 9.177 -6.088 1.00 0.00 O ATOM 451 CB GLU A 28 184.944 8.308 -7.492 1.00 0.00 C ATOM 452 CG GLU A 28 185.949 8.216 -8.629 1.00 0.00 C ATOM 453 CD GLU A 28 186.779 6.949 -8.572 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.190 5.859 -8.410 1.00 0.00 O ATOM 455 OE2 GLU A 28 188.019 7.046 -8.690 1.00 0.00 O ATOM 0 H GLU A 28 183.583 8.073 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 28 186.131 7.223 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.187 7.535 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.431 9.268 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.420 8.257 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.611 9.081 -8.595 1.00 0.00 H new ATOM 462 N LYS A 29 186.021 10.432 -5.375 1.00 0.00 N ATOM 463 CA LYS A 29 186.852 11.598 -5.095 1.00 0.00 C ATOM 464 C LYS A 29 187.478 11.501 -3.711 1.00 0.00 C ATOM 465 O LYS A 29 188.576 12.007 -3.484 1.00 0.00 O ATOM 466 CB LYS A 29 186.028 12.883 -5.216 1.00 0.00 C ATOM 467 CG LYS A 29 186.805 14.141 -4.853 1.00 0.00 C ATOM 468 CD LYS A 29 186.812 15.145 -5.996 1.00 0.00 C ATOM 469 CE LYS A 29 187.788 14.739 -7.088 1.00 0.00 C ATOM 470 NZ LYS A 29 189.204 14.863 -6.644 1.00 0.00 N ATOM 0 H LYS A 29 185.029 10.560 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 29 187.655 11.625 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.661 12.975 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.154 12.807 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.363 14.599 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 29 187.830 13.875 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.809 15.228 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 187.080 16.130 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 187.590 13.709 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.628 15.362 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 189.737 15.426 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 189.237 15.333 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 189.628 13.916 -6.568 1.00 0.00 H new ATOM 484 N TRP A 30 186.784 10.840 -2.789 1.00 0.00 N ATOM 485 CA TRP A 30 187.296 10.675 -1.435 1.00 0.00 C ATOM 486 C TRP A 30 188.719 10.127 -1.481 1.00 0.00 C ATOM 487 O TRP A 30 189.161 9.629 -2.517 1.00 0.00 O ATOM 488 CB TRP A 30 186.398 9.732 -0.631 1.00 0.00 C ATOM 489 CG TRP A 30 185.275 10.429 0.076 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.063 10.770 -0.450 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.258 10.862 1.441 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.292 11.390 0.506 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.004 11.458 1.674 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.181 10.805 2.489 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.651 11.991 2.913 1.00 0.00 C ATOM 496 CZ3 TRP A 30 185.829 11.334 3.717 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.575 11.919 3.920 1.00 0.00 C ATOM 0 H TRP A 30 185.872 10.413 -2.954 1.00 0.00 H new ATOM 0 HA TRP A 30 187.302 11.649 -0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.983 8.980 -1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.006 9.203 0.103 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.754 10.581 -1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.345 11.742 0.367 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.152 10.356 2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 182.684 12.444 3.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.535 11.295 4.534 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.331 12.322 4.892 1.00 0.00 H new ATOM 508 N GLN A 31 189.432 10.220 -0.369 1.00 0.00 N ATOM 509 CA GLN A 31 190.804 9.727 -0.308 1.00 0.00 C ATOM 510 C GLN A 31 190.835 8.204 -0.325 1.00 0.00 C ATOM 511 O GLN A 31 191.303 7.565 0.618 1.00 0.00 O ATOM 512 CB GLN A 31 191.490 10.243 0.947 1.00 0.00 C ATOM 513 CG GLN A 31 193.008 10.221 0.867 1.00 0.00 C ATOM 514 CD GLN A 31 193.638 11.521 1.326 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.554 12.041 0.688 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.147 12.055 2.439 1.00 0.00 N ATOM 0 H GLN A 31 189.088 10.629 0.500 1.00 0.00 H new ATOM 0 HA GLN A 31 191.337 10.093 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.160 11.264 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.171 9.641 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.388 9.402 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.310 10.019 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 31 192.387 11.590 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 193.530 12.930 2.797 1.00 0.00 H new ATOM 525 N THR A 32 190.329 7.635 -1.406 1.00 0.00 N ATOM 526 CA THR A 32 190.289 6.183 -1.565 1.00 0.00 C ATOM 527 C THR A 32 189.834 5.797 -2.969 1.00 0.00 C ATOM 528 O THR A 32 189.424 6.650 -3.756 1.00 0.00 O ATOM 529 CB THR A 32 189.355 5.561 -0.527 1.00 0.00 C ATOM 530 OG1 THR A 32 189.138 4.188 -0.809 1.00 0.00 O ATOM 531 CG2 THR A 32 188.004 6.234 -0.455 1.00 0.00 C ATOM 0 H THR A 32 189.938 8.155 -2.192 1.00 0.00 H new ATOM 0 HA THR A 32 191.299 5.801 -1.413 1.00 0.00 H new ATOM 0 HB THR A 32 189.858 5.695 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.646 3.776 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.392 5.742 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.134 7.283 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.510 6.162 -1.424 1.00 0.00 H new ATOM 539 N HIS A 33 189.917 4.506 -3.276 1.00 0.00 N ATOM 540 CA HIS A 33 189.519 4.005 -4.587 1.00 0.00 C ATOM 541 C HIS A 33 188.482 2.887 -4.470 1.00 0.00 C ATOM 542 O HIS A 33 187.709 2.651 -5.400 1.00 0.00 O ATOM 543 CB HIS A 33 190.742 3.496 -5.354 1.00 0.00 C ATOM 544 CG HIS A 33 191.956 4.358 -5.192 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.634 4.733 -4.081 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 192.611 4.944 -6.255 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.675 5.530 -4.490 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 193.641 5.641 -5.805 1.00 0.00 N flip ATOM 0 H HIS A 33 190.256 3.788 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 33 189.066 4.833 -5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 33 190.977 2.486 -5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.494 3.429 -6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.327 4.849 -7.293 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.404 5.992 -3.840 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.297 6.173 -6.376 1.00 0.00 H new ATOM 557 N LEU A 34 188.472 2.198 -3.331 1.00 0.00 N ATOM 558 CA LEU A 34 187.532 1.104 -3.104 1.00 0.00 C ATOM 559 C LEU A 34 187.777 -0.034 -4.088 1.00 0.00 C ATOM 560 O LEU A 34 187.739 0.162 -5.302 1.00 0.00 O ATOM 561 CB LEU A 34 186.088 1.598 -3.225 1.00 0.00 C ATOM 562 CG LEU A 34 185.674 2.652 -2.198 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.031 2.201 -0.790 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.332 3.987 -2.514 1.00 0.00 C ATOM 0 H LEU A 34 189.104 2.378 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 34 187.691 0.730 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.944 2.010 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.419 0.742 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 34 184.593 2.777 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.728 2.966 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.514 1.268 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.108 2.045 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.027 4.727 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.416 3.873 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.025 4.318 -3.506 1.00 0.00 H new ATOM 576 N ILE A 35 188.036 -1.224 -3.555 1.00 0.00 N ATOM 577 CA ILE A 35 188.294 -2.395 -4.387 1.00 0.00 C ATOM 578 C ILE A 35 187.138 -3.388 -4.327 1.00 0.00 C ATOM 579 O ILE A 35 186.488 -3.661 -5.336 1.00 0.00 O ATOM 580 CB ILE A 35 189.589 -3.113 -3.962 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.704 -2.097 -3.701 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.014 -4.113 -5.028 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.151 -1.355 -4.941 1.00 0.00 C ATOM 0 H ILE A 35 188.073 -1.403 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 35 188.403 -2.032 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 35 189.397 -3.656 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.360 -1.375 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.561 -2.614 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.930 -4.612 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.226 -4.854 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.190 -3.590 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.943 -0.653 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.526 -2.067 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.307 -0.809 -5.363 1.00 0.00 H new ATOM 595 N ASN A 36 186.892 -3.932 -3.139 1.00 0.00 N ATOM 596 CA ASN A 36 185.819 -4.901 -2.947 1.00 0.00 C ATOM 597 C ASN A 36 184.675 -4.298 -2.136 1.00 0.00 C ATOM 598 O ASN A 36 184.556 -4.544 -0.935 1.00 0.00 O ATOM 599 CB ASN A 36 186.355 -6.149 -2.245 1.00 0.00 C ATOM 600 CG ASN A 36 186.792 -7.220 -3.224 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.796 -7.007 -4.436 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.162 -8.384 -2.702 1.00 0.00 N ATOM 0 H ASN A 36 187.422 -3.718 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 36 185.434 -5.179 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.199 -5.873 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.584 -6.553 -1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.464 -9.143 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 36 187.144 -8.518 -1.691 1.00 0.00 H new ATOM 609 N PRO A 37 183.815 -3.491 -2.783 1.00 0.00 N ATOM 610 CA PRO A 37 182.679 -2.849 -2.117 1.00 0.00 C ATOM 611 C PRO A 37 181.509 -3.803 -1.903 1.00 0.00 C ATOM 612 O PRO A 37 180.685 -4.000 -2.797 1.00 0.00 O ATOM 613 CB PRO A 37 182.292 -1.743 -3.095 1.00 0.00 C ATOM 614 CG PRO A 37 182.663 -2.283 -4.433 1.00 0.00 C ATOM 615 CD PRO A 37 183.885 -3.137 -4.214 1.00 0.00 C ATOM 0 HA PRO A 37 182.936 -2.494 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.227 -1.518 -3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.825 -0.817 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.848 -2.870 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.872 -1.476 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.872 -4.024 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.800 -2.593 -4.447 1.00 0.00 H new ATOM 623 N HIS A 38 181.437 -4.386 -0.711 1.00 0.00 N ATOM 624 CA HIS A 38 180.360 -5.311 -0.377 1.00 0.00 C ATOM 625 C HIS A 38 179.232 -4.579 0.340 1.00 0.00 C ATOM 626 O HIS A 38 179.452 -3.937 1.367 1.00 0.00 O ATOM 627 CB HIS A 38 180.889 -6.452 0.498 1.00 0.00 C ATOM 628 CG HIS A 38 180.608 -7.813 -0.056 1.00 0.00 C ATOM 629 ND1 HIS A 38 179.442 -8.408 -0.406 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 181.599 -8.739 -0.312 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 179.748 -9.668 -0.859 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.054 -9.843 -0.793 1.00 0.00 N flip ATOM 0 H HIS A 38 182.111 -4.235 0.039 1.00 0.00 H new ATOM 0 HA HIS A 38 179.969 -5.732 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.966 -6.335 0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.444 -6.374 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 38 182.655 -8.585 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 38 179.035 -10.398 -1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 38 181.558 -10.687 -1.067 1.00 0.00 H new ATOM 641 N ILE A 39 178.026 -4.669 -0.206 1.00 0.00 N ATOM 642 CA ILE A 39 176.871 -4.007 0.386 1.00 0.00 C ATOM 643 C ILE A 39 175.750 -4.999 0.671 1.00 0.00 C ATOM 644 O ILE A 39 175.102 -5.499 -0.248 1.00 0.00 O ATOM 645 CB ILE A 39 176.335 -2.885 -0.529 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.430 -1.848 -0.796 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.116 -2.219 0.093 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.512 -2.337 -1.734 1.00 0.00 C ATOM 0 H ILE A 39 177.822 -5.193 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 39 177.207 -3.569 1.326 1.00 0.00 H new ATOM 0 HB ILE A 39 176.035 -3.330 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.975 -0.951 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.885 -1.560 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.755 -1.431 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.330 -2.961 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.389 -1.787 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.253 -1.550 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 39 178.994 -3.216 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.070 -2.597 -2.696 1.00 0.00 H new ATOM 660 N ILE A 40 175.522 -5.275 1.951 1.00 0.00 N ATOM 661 CA ILE A 40 174.473 -6.202 2.354 1.00 0.00 C ATOM 662 C ILE A 40 173.282 -5.448 2.941 1.00 0.00 C ATOM 663 O ILE A 40 173.346 -4.940 4.060 1.00 0.00 O ATOM 664 CB ILE A 40 174.995 -7.235 3.380 1.00 0.00 C ATOM 665 CG1 ILE A 40 175.859 -8.284 2.680 1.00 0.00 C ATOM 666 CG2 ILE A 40 173.843 -7.909 4.117 1.00 0.00 C ATOM 667 CD1 ILE A 40 176.994 -8.805 3.535 1.00 0.00 C ATOM 0 H ILE A 40 176.049 -4.870 2.725 1.00 0.00 H new ATOM 0 HA ILE A 40 174.151 -6.737 1.461 1.00 0.00 H new ATOM 0 HB ILE A 40 175.602 -6.705 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 175.228 -9.121 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.271 -7.853 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.240 -8.630 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.260 -7.156 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.204 -8.424 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 177.563 -9.545 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.648 -7.979 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.589 -9.267 4.435 1.00 0.00 H new ATOM 679 N LEU A 41 172.196 -5.383 2.177 1.00 0.00 N ATOM 680 CA LEU A 41 170.989 -4.695 2.619 1.00 0.00 C ATOM 681 C LEU A 41 169.884 -5.702 2.923 1.00 0.00 C ATOM 682 O LEU A 41 169.217 -6.200 2.017 1.00 0.00 O ATOM 683 CB LEU A 41 170.536 -3.696 1.544 1.00 0.00 C ATOM 684 CG LEU A 41 169.098 -3.182 1.672 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.078 -1.797 2.299 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.424 -3.160 0.308 1.00 0.00 C ATOM 0 H LEU A 41 172.128 -5.799 1.248 1.00 0.00 H new ATOM 0 HA LEU A 41 171.207 -4.146 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.210 -2.840 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.647 -4.167 0.567 1.00 0.00 H new ATOM 0 HG LEU A 41 168.545 -3.859 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.048 -1.450 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.527 -1.840 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.645 -1.107 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.403 -2.793 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.979 -2.503 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.406 -4.168 -0.105 1.00 0.00 H new ATOM 698 N SER A 42 169.702 -6.005 4.204 1.00 0.00 N ATOM 699 CA SER A 42 168.683 -6.958 4.623 1.00 0.00 C ATOM 700 C SER A 42 167.559 -6.260 5.378 1.00 0.00 C ATOM 701 O SER A 42 167.762 -5.206 5.979 1.00 0.00 O ATOM 702 CB SER A 42 169.305 -8.044 5.500 1.00 0.00 C ATOM 703 OG SER A 42 170.486 -8.560 4.910 1.00 0.00 O ATOM 0 H SER A 42 170.246 -5.605 4.968 1.00 0.00 H new ATOM 0 HA SER A 42 168.261 -7.417 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.535 -7.635 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.587 -8.850 5.650 1.00 0.00 H new ATOM 0 HG SER A 42 171.031 -8.998 5.597 1.00 0.00 H new ATOM 709 N LYS A 43 166.373 -6.857 5.341 1.00 0.00 N ATOM 710 CA LYS A 43 165.213 -6.294 6.024 1.00 0.00 C ATOM 711 C LYS A 43 165.028 -6.935 7.394 1.00 0.00 C ATOM 712 O LYS A 43 164.676 -8.109 7.502 1.00 0.00 O ATOM 713 CB LYS A 43 163.948 -6.491 5.182 1.00 0.00 C ATOM 714 CG LYS A 43 162.898 -5.415 5.402 1.00 0.00 C ATOM 715 CD LYS A 43 162.070 -5.690 6.647 1.00 0.00 C ATOM 716 CE LYS A 43 160.737 -4.959 6.602 1.00 0.00 C ATOM 717 NZ LYS A 43 160.757 -3.719 7.428 1.00 0.00 N ATOM 0 H LYS A 43 166.189 -7.730 4.846 1.00 0.00 H new ATOM 0 HA LYS A 43 165.386 -5.226 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.223 -6.509 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.514 -7.463 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.385 -4.444 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.243 -5.362 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.895 -6.762 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.627 -5.380 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.497 -4.704 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 43 159.948 -5.621 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.831 -3.249 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.961 -3.964 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.493 -3.077 7.072 1.00 0.00 H new ATOM 731 N GLU A 44 165.273 -6.153 8.441 1.00 0.00 N ATOM 732 CA GLU A 44 165.138 -6.644 9.806 1.00 0.00 C ATOM 733 C GLU A 44 163.834 -6.149 10.434 1.00 0.00 C ATOM 734 O GLU A 44 163.419 -5.013 10.209 1.00 0.00 O ATOM 735 CB GLU A 44 166.344 -6.198 10.646 1.00 0.00 C ATOM 736 CG GLU A 44 166.060 -6.076 12.138 1.00 0.00 C ATOM 737 CD GLU A 44 167.325 -5.925 12.959 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.038 -4.918 12.772 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.603 -6.815 13.790 1.00 0.00 O ATOM 0 H GLU A 44 165.566 -5.178 8.369 1.00 0.00 H new ATOM 0 HA GLU A 44 165.109 -7.733 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.156 -6.910 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.694 -5.235 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 165.413 -5.216 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 44 165.516 -6.958 12.474 1.00 0.00 H new ATOM 746 N PRO A 45 163.173 -7.008 11.234 1.00 0.00 N ATOM 747 CA PRO A 45 161.918 -6.684 11.905 1.00 0.00 C ATOM 748 C PRO A 45 161.838 -5.230 12.362 1.00 0.00 C ATOM 749 O PRO A 45 160.848 -4.542 12.113 1.00 0.00 O ATOM 750 CB PRO A 45 161.920 -7.610 13.131 1.00 0.00 C ATOM 751 CG PRO A 45 163.034 -8.597 12.928 1.00 0.00 C ATOM 752 CD PRO A 45 163.592 -8.376 11.549 1.00 0.00 C ATOM 0 HA PRO A 45 161.069 -6.818 11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.072 -7.039 14.047 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.963 -8.122 13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.810 -8.459 13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.665 -9.617 13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.677 -8.479 11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.193 -9.094 10.833 1.00 0.00 H new ATOM 760 N GLN A 46 162.872 -4.783 13.063 1.00 0.00 N ATOM 761 CA GLN A 46 162.907 -3.429 13.593 1.00 0.00 C ATOM 762 C GLN A 46 163.778 -2.494 12.752 1.00 0.00 C ATOM 763 O GLN A 46 164.663 -1.819 13.279 1.00 0.00 O ATOM 764 CB GLN A 46 163.411 -3.460 15.036 1.00 0.00 C ATOM 765 CG GLN A 46 162.720 -2.460 15.947 1.00 0.00 C ATOM 766 CD GLN A 46 161.212 -2.625 15.959 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.469 -1.649 15.862 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.755 -3.865 16.082 1.00 0.00 N ATOM 0 H GLN A 46 163.699 -5.341 13.277 1.00 0.00 H new ATOM 0 HA GLN A 46 161.892 -3.034 13.559 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.270 -4.463 15.439 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.483 -3.262 15.041 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.102 -2.574 16.961 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.968 -1.449 15.625 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.409 -4.644 16.159 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.750 -4.039 16.099 1.00 0.00 H new ATOM 777 N GLY A 47 163.511 -2.436 11.449 1.00 0.00 N ATOM 778 CA GLY A 47 164.272 -1.550 10.581 1.00 0.00 C ATOM 779 C GLY A 47 165.166 -2.276 9.595 1.00 0.00 C ATOM 780 O GLY A 47 165.284 -3.500 9.627 1.00 0.00 O ATOM 0 H GLY A 47 162.787 -2.982 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.579 -0.915 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.885 -0.893 11.197 1.00 0.00 H new ATOM 784 N PHE A 48 165.801 -1.502 8.715 1.00 0.00 N ATOM 785 CA PHE A 48 166.697 -2.048 7.702 1.00 0.00 C ATOM 786 C PHE A 48 168.107 -2.226 8.261 1.00 0.00 C ATOM 787 O PHE A 48 168.623 -1.347 8.953 1.00 0.00 O ATOM 788 CB PHE A 48 166.753 -1.115 6.486 1.00 0.00 C ATOM 789 CG PHE A 48 165.898 -1.547 5.327 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.764 -2.887 5.002 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.230 -0.606 4.562 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.980 -3.280 3.934 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.445 -0.992 3.493 1.00 0.00 C ATOM 794 CZ PHE A 48 164.318 -2.331 3.180 1.00 0.00 C ATOM 0 H PHE A 48 165.708 -0.487 8.686 1.00 0.00 H new ATOM 0 HA PHE A 48 166.309 -3.021 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.445 -0.116 6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.787 -1.039 6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.278 -3.633 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.324 0.442 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.885 -4.328 3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.931 -0.248 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.702 -2.636 2.347 1.00 0.00 H new ATOM 804 N VAL A 49 168.724 -3.361 7.947 1.00 0.00 N ATOM 805 CA VAL A 49 170.078 -3.652 8.407 1.00 0.00 C ATOM 806 C VAL A 49 171.064 -3.618 7.241 1.00 0.00 C ATOM 807 O VAL A 49 171.289 -4.628 6.578 1.00 0.00 O ATOM 808 CB VAL A 49 170.157 -5.030 9.097 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.588 -5.354 9.501 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.239 -5.067 10.307 1.00 0.00 C ATOM 0 H VAL A 49 168.307 -4.095 7.375 1.00 0.00 H new ATOM 0 HA VAL A 49 170.343 -2.882 9.131 1.00 0.00 H new ATOM 0 HB VAL A 49 169.828 -5.788 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.617 -6.330 9.985 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.222 -5.370 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.951 -4.595 10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.305 -6.045 10.784 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.541 -4.296 11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.212 -4.886 9.990 1.00 0.00 H new ATOM 820 N ALA A 50 171.646 -2.447 6.997 1.00 0.00 N ATOM 821 CA ALA A 50 172.605 -2.285 5.909 1.00 0.00 C ATOM 822 C ALA A 50 174.029 -2.557 6.381 1.00 0.00 C ATOM 823 O ALA A 50 174.668 -1.698 6.986 1.00 0.00 O ATOM 824 CB ALA A 50 172.500 -0.887 5.320 1.00 0.00 C ATOM 0 H ALA A 50 171.471 -1.599 7.536 1.00 0.00 H new ATOM 0 HA ALA A 50 172.364 -3.014 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.221 -0.779 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.493 -0.730 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.711 -0.149 6.094 1.00 0.00 H new ATOM 830 N ASP A 51 174.520 -3.760 6.099 1.00 0.00 N ATOM 831 CA ASP A 51 175.872 -4.144 6.495 1.00 0.00 C ATOM 832 C ASP A 51 176.803 -4.162 5.286 1.00 0.00 C ATOM 833 O ASP A 51 177.045 -5.211 4.692 1.00 0.00 O ATOM 834 CB ASP A 51 175.858 -5.520 7.165 1.00 0.00 C ATOM 835 CG ASP A 51 175.998 -5.431 8.671 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.081 -4.889 9.324 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.027 -5.903 9.202 1.00 0.00 O ATOM 0 H ASP A 51 174.004 -4.484 5.599 1.00 0.00 H new ATOM 0 HA ASP A 51 176.242 -3.406 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.927 -6.031 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.670 -6.125 6.763 1.00 0.00 H new ATOM 842 N ALA A 52 177.320 -2.994 4.924 1.00 0.00 N ATOM 843 CA ALA A 52 178.220 -2.882 3.785 1.00 0.00 C ATOM 844 C ALA A 52 179.678 -2.871 4.232 1.00 0.00 C ATOM 845 O ALA A 52 180.086 -2.036 5.034 1.00 0.00 O ATOM 846 CB ALA A 52 177.903 -1.628 2.985 1.00 0.00 C ATOM 0 H ALA A 52 177.131 -2.113 5.402 1.00 0.00 H new ATOM 0 HA ALA A 52 178.070 -3.755 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.583 -1.556 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.876 -1.677 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.023 -0.751 3.621 1.00 0.00 H new ATOM 852 N THR A 53 180.461 -3.802 3.700 1.00 0.00 N ATOM 853 CA THR A 53 181.877 -3.896 4.036 1.00 0.00 C ATOM 854 C THR A 53 182.731 -3.501 2.838 1.00 0.00 C ATOM 855 O THR A 53 182.933 -4.295 1.919 1.00 0.00 O ATOM 856 CB THR A 53 182.223 -5.316 4.485 1.00 0.00 C ATOM 857 OG1 THR A 53 181.434 -5.698 5.597 1.00 0.00 O ATOM 858 CG2 THR A 53 183.675 -5.484 4.874 1.00 0.00 C ATOM 0 H THR A 53 180.139 -4.504 3.033 1.00 0.00 H new ATOM 0 HA THR A 53 182.086 -3.210 4.857 1.00 0.00 H new ATOM 0 HB THR A 53 182.019 -5.948 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.670 -6.610 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.852 -6.514 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.310 -5.246 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.910 -4.813 5.700 1.00 0.00 H new ATOM 866 N ILE A 54 183.220 -2.266 2.847 1.00 0.00 N ATOM 867 CA ILE A 54 184.042 -1.763 1.753 1.00 0.00 C ATOM 868 C ILE A 54 185.527 -1.874 2.075 1.00 0.00 C ATOM 869 O ILE A 54 185.944 -1.671 3.215 1.00 0.00 O ATOM 870 CB ILE A 54 183.710 -0.291 1.426 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.263 0.034 1.811 1.00 0.00 C ATOM 872 CG2 ILE A 54 183.945 -0.014 -0.052 1.00 0.00 C ATOM 873 CD1 ILE A 54 181.823 1.428 1.417 1.00 0.00 C ATOM 0 H ILE A 54 183.062 -1.595 3.599 1.00 0.00 H new ATOM 0 HA ILE A 54 183.815 -2.383 0.885 1.00 0.00 H new ATOM 0 HB ILE A 54 184.370 0.351 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.600 -0.692 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.149 -0.082 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.707 1.027 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 54 184.990 -0.206 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.307 -0.664 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 54 180.788 1.583 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.461 2.163 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 181.903 1.543 0.336 1.00 0.00 H new ATOM 885 N ASN A 55 186.322 -2.201 1.060 1.00 0.00 N ATOM 886 CA ASN A 55 187.762 -2.345 1.230 1.00 0.00 C ATOM 887 C ASN A 55 188.494 -1.081 0.788 1.00 0.00 C ATOM 888 O ASN A 55 188.695 -0.854 -0.407 1.00 0.00 O ATOM 889 CB ASN A 55 188.273 -3.546 0.432 1.00 0.00 C ATOM 890 CG ASN A 55 189.622 -4.034 0.922 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.608 -5.038 1.792 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 190.664 -3.516 0.522 1.00 0.00 N flip ATOM 0 H ASN A 55 185.991 -2.371 0.110 1.00 0.00 H new ATOM 0 HA ASN A 55 187.961 -2.507 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.549 -4.358 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.349 -3.274 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.627 -2.747 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 55 191.565 -3.856 0.859 1.00 0.00 H new ATOM 899 N THR A 56 188.893 -0.264 1.758 1.00 0.00 N ATOM 900 CA THR A 56 189.607 0.975 1.470 1.00 0.00 C ATOM 901 C THR A 56 191.117 0.744 1.504 1.00 0.00 C ATOM 902 O THR A 56 191.591 -0.213 2.116 1.00 0.00 O ATOM 903 CB THR A 56 189.217 2.068 2.475 1.00 0.00 C ATOM 904 OG1 THR A 56 190.032 2.003 3.632 1.00 0.00 O ATOM 905 CG2 THR A 56 187.773 1.986 2.926 1.00 0.00 C ATOM 0 H THR A 56 188.734 -0.438 2.750 1.00 0.00 H new ATOM 0 HA THR A 56 189.327 1.305 0.470 1.00 0.00 H new ATOM 0 HB THR A 56 189.360 3.008 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.693 1.307 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.567 2.788 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.116 2.087 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.596 1.023 3.406 1.00 0.00 H new ATOM 913 N PRO A 57 191.897 1.618 0.843 1.00 0.00 N ATOM 914 CA PRO A 57 193.359 1.499 0.801 1.00 0.00 C ATOM 915 C PRO A 57 193.987 1.492 2.193 1.00 0.00 C ATOM 916 O PRO A 57 195.123 1.053 2.366 1.00 0.00 O ATOM 917 CB PRO A 57 193.808 2.737 0.016 1.00 0.00 C ATOM 918 CG PRO A 57 192.638 3.661 0.032 1.00 0.00 C ATOM 919 CD PRO A 57 191.423 2.785 0.084 1.00 0.00 C ATOM 0 HA PRO A 57 193.670 0.559 0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 57 194.680 3.200 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.088 2.475 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 57 192.677 4.326 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 57 192.627 4.292 -0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 57 190.588 3.279 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.081 2.508 -0.913 1.00 0.00 H new ATOM 927 N ASN A 58 193.245 1.983 3.184 1.00 0.00 N ATOM 928 CA ASN A 58 193.742 2.031 4.556 1.00 0.00 C ATOM 929 C ASN A 58 192.988 1.053 5.457 1.00 0.00 C ATOM 930 O ASN A 58 193.024 1.172 6.681 1.00 0.00 O ATOM 931 CB ASN A 58 193.625 3.453 5.110 1.00 0.00 C ATOM 932 CG ASN A 58 194.942 3.973 5.650 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.587 4.822 5.036 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.350 3.463 6.806 1.00 0.00 N ATOM 0 H ASN A 58 192.302 2.352 3.063 1.00 0.00 H new ATOM 0 HA ASN A 58 194.791 1.735 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.270 4.118 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.878 3.471 5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.230 3.774 7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 58 194.784 2.761 7.282 1.00 0.00 H new ATOM 941 N GLY A 59 192.309 0.085 4.846 1.00 0.00 N ATOM 942 CA GLY A 59 191.564 -0.896 5.615 1.00 0.00 C ATOM 943 C GLY A 59 190.142 -1.068 5.120 1.00 0.00 C ATOM 944 O GLY A 59 189.704 -0.363 4.212 1.00 0.00 O ATOM 0 H GLY A 59 192.262 -0.037 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.079 -1.855 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.546 -0.594 6.662 1.00 0.00 H new ATOM 948 N VAL A 60 189.418 -2.008 5.718 1.00 0.00 N ATOM 949 CA VAL A 60 188.036 -2.269 5.334 1.00 0.00 C ATOM 950 C VAL A 60 187.071 -1.460 6.194 1.00 0.00 C ATOM 951 O VAL A 60 186.984 -1.663 7.406 1.00 0.00 O ATOM 952 CB VAL A 60 187.688 -3.764 5.458 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.361 -4.063 4.775 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.799 -4.623 4.875 1.00 0.00 C ATOM 0 H VAL A 60 189.766 -2.602 6.471 1.00 0.00 H new ATOM 0 HA VAL A 60 187.934 -1.969 4.291 1.00 0.00 H new ATOM 0 HB VAL A 60 187.590 -4.007 6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.132 -5.124 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.571 -3.476 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.429 -3.803 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.534 -5.676 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.933 -4.378 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.727 -4.431 5.413 1.00 0.00 H new ATOM 964 N LEU A 61 186.354 -0.539 5.560 1.00 0.00 N ATOM 965 CA LEU A 61 185.399 0.308 6.266 1.00 0.00 C ATOM 966 C LEU A 61 184.046 -0.386 6.400 1.00 0.00 C ATOM 967 O LEU A 61 183.525 -0.952 5.438 1.00 0.00 O ATOM 968 CB LEU A 61 185.247 1.643 5.533 1.00 0.00 C ATOM 969 CG LEU A 61 184.093 2.532 5.987 1.00 0.00 C ATOM 970 CD1 LEU A 61 183.900 2.465 7.497 1.00 0.00 C ATOM 971 CD2 LEU A 61 184.343 3.966 5.537 1.00 0.00 C ATOM 0 H LEU A 61 186.416 -0.360 4.558 1.00 0.00 H new ATOM 0 HA LEU A 61 185.779 0.495 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 186.175 2.203 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 61 185.124 1.438 4.470 1.00 0.00 H new ATOM 0 HG LEU A 61 183.175 2.168 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 61 183.070 3.110 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 61 183.681 1.438 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 61 184.810 2.799 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 61 183.517 4.599 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.273 4.328 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 61 184.418 3.998 4.450 1.00 0.00 H new ATOM 983 N VAL A 62 183.494 -0.352 7.608 1.00 0.00 N ATOM 984 CA VAL A 62 182.212 -0.991 7.888 1.00 0.00 C ATOM 985 C VAL A 62 181.052 -0.006 7.762 1.00 0.00 C ATOM 986 O VAL A 62 180.907 0.905 8.578 1.00 0.00 O ATOM 987 CB VAL A 62 182.199 -1.604 9.303 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.391 -0.528 10.362 1.00 0.00 C ATOM 989 CG2 VAL A 62 180.907 -2.374 9.541 1.00 0.00 C ATOM 0 H VAL A 62 183.916 0.113 8.412 1.00 0.00 H new ATOM 0 HA VAL A 62 182.085 -1.780 7.147 1.00 0.00 H new ATOM 0 HB VAL A 62 183.032 -2.303 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 62 182.378 -0.985 11.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.347 -0.029 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.585 0.202 10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 62 180.916 -2.799 10.545 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.057 -1.699 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.821 -3.176 8.808 1.00 0.00 H new ATOM 999 N ALA A 63 180.231 -0.196 6.738 1.00 0.00 N ATOM 1000 CA ALA A 63 179.084 0.672 6.508 1.00 0.00 C ATOM 1001 C ALA A 63 177.824 0.102 7.146 1.00 0.00 C ATOM 1002 O ALA A 63 177.244 -0.862 6.645 1.00 0.00 O ATOM 1003 CB ALA A 63 178.871 0.877 5.015 1.00 0.00 C ATOM 0 H ALA A 63 180.338 -0.944 6.053 1.00 0.00 H new ATOM 0 HA ALA A 63 179.291 1.635 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.011 1.527 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.759 1.337 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.691 -0.086 4.538 1.00 0.00 H new ATOM 1009 N SER A 64 177.401 0.701 8.253 1.00 0.00 N ATOM 1010 CA SER A 64 176.207 0.247 8.954 1.00 0.00 C ATOM 1011 C SER A 64 175.067 1.248 8.795 1.00 0.00 C ATOM 1012 O SER A 64 175.124 2.360 9.320 1.00 0.00 O ATOM 1013 CB SER A 64 176.508 0.029 10.438 1.00 0.00 C ATOM 1014 OG SER A 64 177.900 0.101 10.696 1.00 0.00 O ATOM 0 H SER A 64 177.866 1.500 8.683 1.00 0.00 H new ATOM 0 HA SER A 64 175.898 -0.700 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 175.986 0.780 11.031 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.128 -0.944 10.750 1.00 0.00 H new ATOM 0 HG SER A 64 178.063 -0.040 11.652 1.00 0.00 H new ATOM 1020 N GLY A 65 174.033 0.843 8.066 1.00 0.00 N ATOM 1021 CA GLY A 65 172.890 1.710 7.849 1.00 0.00 C ATOM 1022 C GLY A 65 171.623 1.165 8.476 1.00 0.00 C ATOM 1023 O GLY A 65 170.811 0.529 7.805 1.00 0.00 O ATOM 0 H GLY A 65 173.966 -0.072 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.102 2.696 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.735 1.841 6.778 1.00 0.00 H new ATOM 1027 N LYS A 66 171.456 1.411 9.771 1.00 0.00 N ATOM 1028 CA LYS A 66 170.280 0.939 10.495 1.00 0.00 C ATOM 1029 C LYS A 66 169.193 2.009 10.524 1.00 0.00 C ATOM 1030 O LYS A 66 169.406 3.105 11.042 1.00 0.00 O ATOM 1031 CB LYS A 66 170.655 0.540 11.924 1.00 0.00 C ATOM 1032 CG LYS A 66 172.007 -0.150 12.031 1.00 0.00 C ATOM 1033 CD LYS A 66 173.066 0.780 12.602 1.00 0.00 C ATOM 1034 CE LYS A 66 174.186 0.004 13.275 1.00 0.00 C ATOM 1035 NZ LYS A 66 173.741 -0.624 14.548 1.00 0.00 N ATOM 0 H LYS A 66 172.120 1.935 10.341 1.00 0.00 H new ATOM 0 HA LYS A 66 169.893 0.064 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.661 1.432 12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.886 -0.123 12.320 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.917 -1.032 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.319 -0.496 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 66 173.478 1.397 11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.607 1.457 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 66 174.550 -0.768 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 66 175.023 0.674 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.572 -0.860 15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 173.133 0.040 15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.207 -1.491 14.339 1.00 0.00 H new ATOM 1049 N HIS A 67 168.030 1.689 9.964 1.00 0.00 N ATOM 1050 CA HIS A 67 166.918 2.635 9.934 1.00 0.00 C ATOM 1051 C HIS A 67 165.658 1.993 9.361 1.00 0.00 C ATOM 1052 O HIS A 67 165.733 1.082 8.536 1.00 0.00 O ATOM 1053 CB HIS A 67 167.296 3.870 9.113 1.00 0.00 C ATOM 1054 CG HIS A 67 166.932 5.162 9.777 1.00 0.00 C ATOM 1055 ND1 HIS A 67 165.734 5.777 9.923 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 167.858 5.980 10.391 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 165.957 6.943 10.614 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 167.244 7.041 10.885 1.00 0.00 N flip ATOM 0 H HIS A 67 167.833 0.788 9.527 1.00 0.00 H new ATOM 0 HA HIS A 67 166.708 2.936 10.960 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.370 3.857 8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.802 3.817 8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 67 168.918 5.784 10.457 1.00 0.00 H new ATOM 0 HE1 HIS A 67 165.201 7.663 10.891 1.00 0.00 H new ATOM 0 HE2 HIS A 67 167.690 7.806 11.390 1.00 0.00 H new ATOM 1067 N GLU A 68 164.501 2.478 9.804 1.00 0.00 N ATOM 1068 CA GLU A 68 163.220 1.953 9.339 1.00 0.00 C ATOM 1069 C GLU A 68 163.029 2.210 7.846 1.00 0.00 C ATOM 1070 O GLU A 68 162.563 1.338 7.114 1.00 0.00 O ATOM 1071 CB GLU A 68 162.066 2.575 10.129 1.00 0.00 C ATOM 1072 CG GLU A 68 162.207 4.073 10.349 1.00 0.00 C ATOM 1073 CD GLU A 68 162.350 4.439 11.813 1.00 0.00 C ATOM 1074 OE1 GLU A 68 162.842 3.593 12.591 1.00 0.00 O ATOM 1075 OE2 GLU A 68 161.972 5.571 12.182 1.00 0.00 O ATOM 0 H GLU A 68 164.424 3.234 10.485 1.00 0.00 H new ATOM 0 HA GLU A 68 163.222 0.876 9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.132 2.381 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.994 2.081 11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 68 163.077 4.436 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 68 161.335 4.580 9.935 1.00 0.00 H new ATOM 1082 N ASP A 69 163.392 3.409 7.399 1.00 0.00 N ATOM 1083 CA ASP A 69 163.258 3.770 5.993 1.00 0.00 C ATOM 1084 C ASP A 69 164.514 3.380 5.219 1.00 0.00 C ATOM 1085 O ASP A 69 165.612 3.342 5.776 1.00 0.00 O ATOM 1086 CB ASP A 69 162.988 5.268 5.847 1.00 0.00 C ATOM 1087 CG ASP A 69 161.552 5.560 5.463 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.155 5.204 4.333 1.00 0.00 O ATOM 1089 OD2 ASP A 69 160.821 6.143 6.292 1.00 0.00 O ATOM 0 H ASP A 69 163.780 4.145 7.989 1.00 0.00 H new ATOM 0 HA ASP A 69 162.411 3.224 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.219 5.770 6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.655 5.683 5.091 1.00 0.00 H new ATOM 1094 N MET A 70 164.345 3.077 3.935 1.00 0.00 N ATOM 1095 CA MET A 70 165.466 2.676 3.096 1.00 0.00 C ATOM 1096 C MET A 70 166.433 3.835 2.856 1.00 0.00 C ATOM 1097 O MET A 70 167.637 3.697 3.074 1.00 0.00 O ATOM 1098 CB MET A 70 164.958 2.104 1.764 1.00 0.00 C ATOM 1099 CG MET A 70 164.519 3.154 0.755 1.00 0.00 C ATOM 1100 SD MET A 70 163.913 2.431 -0.782 1.00 0.00 S ATOM 1101 CE MET A 70 162.400 1.655 -0.219 1.00 0.00 C ATOM 0 H MET A 70 163.445 3.102 3.456 1.00 0.00 H new ATOM 0 HA MET A 70 166.017 1.897 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.747 1.498 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.119 1.438 1.965 1.00 0.00 H new ATOM 0 HG2 MET A 70 163.735 3.770 1.196 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.358 3.814 0.535 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.773 1.415 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.640 0.740 0.322 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.865 2.337 0.441 1.00 0.00 H new ATOM 1111 N TYR A 71 165.910 4.973 2.408 1.00 0.00 N ATOM 1112 CA TYR A 71 166.750 6.137 2.144 1.00 0.00 C ATOM 1113 C TYR A 71 167.427 6.618 3.419 1.00 0.00 C ATOM 1114 O TYR A 71 168.550 7.118 3.381 1.00 0.00 O ATOM 1115 CB TYR A 71 165.930 7.266 1.513 1.00 0.00 C ATOM 1116 CG TYR A 71 165.574 7.026 0.062 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.233 6.063 -0.690 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.576 7.767 -0.556 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.911 5.843 -2.010 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.245 7.553 -1.879 1.00 0.00 C ATOM 1121 CZ TYR A 71 164.915 6.590 -2.603 1.00 0.00 C ATOM 1122 OH TYR A 71 164.589 6.374 -3.922 1.00 0.00 O ATOM 0 H TYR A 71 164.917 5.114 2.221 1.00 0.00 H new ATOM 0 HA TYR A 71 167.525 5.839 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.012 7.399 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.492 8.197 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.014 5.475 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.050 8.523 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.436 5.089 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.465 8.137 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 71 163.867 6.982 -4.184 1.00 0.00 H new ATOM 1132 N THR A 72 166.754 6.449 4.551 1.00 0.00 N ATOM 1133 CA THR A 72 167.322 6.856 5.829 1.00 0.00 C ATOM 1134 C THR A 72 168.496 5.954 6.184 1.00 0.00 C ATOM 1135 O THR A 72 169.469 6.392 6.799 1.00 0.00 O ATOM 1136 CB THR A 72 166.266 6.804 6.935 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.474 5.637 6.819 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.334 7.997 6.925 1.00 0.00 C ATOM 0 H THR A 72 165.823 6.037 4.610 1.00 0.00 H new ATOM 0 HA THR A 72 167.673 7.884 5.740 1.00 0.00 H new ATOM 0 HB THR A 72 166.825 6.807 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 72 166.004 4.921 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.609 7.899 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.911 8.911 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.809 8.041 5.971 1.00 0.00 H new ATOM 1146 N ALA A 73 168.400 4.691 5.777 1.00 0.00 N ATOM 1147 CA ALA A 73 169.456 3.722 6.035 1.00 0.00 C ATOM 1148 C ALA A 73 170.698 4.054 5.215 1.00 0.00 C ATOM 1149 O ALA A 73 171.825 3.812 5.646 1.00 0.00 O ATOM 1150 CB ALA A 73 168.969 2.315 5.720 1.00 0.00 C ATOM 0 H ALA A 73 167.600 4.316 5.267 1.00 0.00 H new ATOM 0 HA ALA A 73 169.720 3.769 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.768 1.601 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.109 2.079 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.681 2.256 4.670 1.00 0.00 H new ATOM 1156 N ILE A 74 170.479 4.622 4.031 1.00 0.00 N ATOM 1157 CA ILE A 74 171.586 5.000 3.152 1.00 0.00 C ATOM 1158 C ILE A 74 172.303 6.229 3.697 1.00 0.00 C ATOM 1159 O ILE A 74 173.532 6.310 3.667 1.00 0.00 O ATOM 1160 CB ILE A 74 171.136 5.304 1.695 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.741 4.738 1.394 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.154 4.759 0.704 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.681 3.226 1.347 1.00 0.00 C ATOM 0 H ILE A 74 169.552 4.830 3.659 1.00 0.00 H new ATOM 0 HA ILE A 74 172.253 4.138 3.127 1.00 0.00 H new ATOM 0 HB ILE A 74 171.078 6.387 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.045 5.094 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.399 5.134 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.826 4.979 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.122 5.227 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.244 3.680 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.661 2.909 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.349 2.859 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.989 2.820 2.310 1.00 0.00 H new ATOM 1175 N ASN A 75 171.526 7.188 4.195 1.00 0.00 N ATOM 1176 CA ASN A 75 172.084 8.419 4.746 1.00 0.00 C ATOM 1177 C ASN A 75 172.921 8.123 5.986 1.00 0.00 C ATOM 1178 O ASN A 75 174.087 8.507 6.065 1.00 0.00 O ATOM 1179 CB ASN A 75 170.973 9.415 5.096 1.00 0.00 C ATOM 1180 CG ASN A 75 169.821 9.405 4.104 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.114 9.100 2.843 1.00 0.00 O flip ATOM 1182 ND2 ASN A 75 168.676 9.667 4.469 1.00 0.00 N flip ATOM 0 H ASN A 75 170.508 7.136 4.228 1.00 0.00 H new ATOM 0 HA ASN A 75 172.725 8.864 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.589 9.186 6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.396 10.419 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.492 9.896 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 75 167.911 9.655 3.795 1.00 0.00 H new ATOM 1189 N GLU A 76 172.317 7.441 6.954 1.00 0.00 N ATOM 1190 CA GLU A 76 173.010 7.098 8.191 1.00 0.00 C ATOM 1191 C GLU A 76 174.309 6.353 7.899 1.00 0.00 C ATOM 1192 O GLU A 76 175.336 6.604 8.528 1.00 0.00 O ATOM 1193 CB GLU A 76 172.106 6.251 9.090 1.00 0.00 C ATOM 1194 CG GLU A 76 171.895 6.845 10.473 1.00 0.00 C ATOM 1195 CD GLU A 76 171.461 8.298 10.426 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.536 8.618 9.648 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.045 9.116 11.166 1.00 0.00 O ATOM 0 H GLU A 76 171.351 7.116 6.906 1.00 0.00 H new ATOM 0 HA GLU A 76 173.256 8.024 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.138 6.128 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.539 5.256 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.142 6.262 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 76 172.820 6.765 11.044 1.00 0.00 H new ATOM 1204 N LEU A 77 174.256 5.439 6.934 1.00 0.00 N ATOM 1205 CA LEU A 77 175.427 4.660 6.554 1.00 0.00 C ATOM 1206 C LEU A 77 176.577 5.573 6.128 1.00 0.00 C ATOM 1207 O LEU A 77 177.645 5.573 6.746 1.00 0.00 O ATOM 1208 CB LEU A 77 175.072 3.704 5.413 1.00 0.00 C ATOM 1209 CG LEU A 77 176.102 2.607 5.140 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.411 1.302 4.771 1.00 0.00 C ATOM 1211 CD2 LEU A 77 177.055 3.038 4.036 1.00 0.00 C ATOM 0 H LEU A 77 173.414 5.221 6.402 1.00 0.00 H new ATOM 0 HA LEU A 77 175.749 4.084 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.115 3.234 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.934 4.286 4.502 1.00 0.00 H new ATOM 0 HG LEU A 77 176.679 2.442 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.161 0.534 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.768 0.986 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.808 1.450 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.782 2.247 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 176.491 3.230 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.576 3.946 4.339 1.00 0.00 H new ATOM 1223 N ILE A 78 176.351 6.347 5.068 1.00 0.00 N ATOM 1224 CA ILE A 78 177.367 7.261 4.555 1.00 0.00 C ATOM 1225 C ILE A 78 177.927 8.151 5.661 1.00 0.00 C ATOM 1226 O ILE A 78 179.108 8.498 5.648 1.00 0.00 O ATOM 1227 CB ILE A 78 176.811 8.138 3.411 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.936 8.963 2.768 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.686 9.035 3.906 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.357 10.178 3.574 1.00 0.00 C ATOM 0 H ILE A 78 175.473 6.359 4.549 1.00 0.00 H new ATOM 0 HA ILE A 78 178.176 6.645 4.161 1.00 0.00 H new ATOM 0 HB ILE A 78 176.395 7.479 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.804 8.320 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.612 9.291 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.314 9.641 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.876 8.420 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.061 9.688 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.155 10.704 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.504 10.845 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.715 9.859 4.553 1.00 0.00 H new ATOM 1242 N ASN A 79 177.082 8.511 6.624 1.00 0.00 N ATOM 1243 CA ASN A 79 177.512 9.353 7.735 1.00 0.00 C ATOM 1244 C ASN A 79 178.625 8.669 8.519 1.00 0.00 C ATOM 1245 O ASN A 79 179.680 9.257 8.773 1.00 0.00 O ATOM 1246 CB ASN A 79 176.337 9.660 8.666 1.00 0.00 C ATOM 1247 CG ASN A 79 175.129 10.197 7.924 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.228 10.604 6.766 1.00 0.00 O ATOM 1249 ND2 ASN A 79 173.981 10.198 8.590 1.00 0.00 N ATOM 0 H ASN A 79 176.101 8.234 6.657 1.00 0.00 H new ATOM 0 HA ASN A 79 177.889 10.290 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.056 8.753 9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.652 10.387 9.414 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.133 10.546 8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.947 9.851 9.548 1.00 0.00 H new ATOM 1256 N LYS A 80 178.381 7.417 8.898 1.00 0.00 N ATOM 1257 CA LYS A 80 179.354 6.637 9.651 1.00 0.00 C ATOM 1258 C LYS A 80 180.709 6.636 8.949 1.00 0.00 C ATOM 1259 O LYS A 80 181.705 7.095 9.506 1.00 0.00 O ATOM 1260 CB LYS A 80 178.856 5.200 9.833 1.00 0.00 C ATOM 1261 CG LYS A 80 178.641 4.811 11.286 1.00 0.00 C ATOM 1262 CD LYS A 80 177.169 4.853 11.665 1.00 0.00 C ATOM 1263 CE LYS A 80 176.662 6.282 11.776 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.406 7.057 12.807 1.00 0.00 N ATOM 0 H LYS A 80 177.513 6.921 8.694 1.00 0.00 H new ATOM 0 HA LYS A 80 179.474 7.098 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.919 5.077 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.576 4.515 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.033 3.808 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.203 5.487 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.585 4.316 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.022 4.339 12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.758 6.777 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.601 6.272 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.814 7.843 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.643 6.434 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.281 7.436 12.392 1.00 0.00 H new ATOM 1278 N LEU A 81 180.739 6.118 7.723 1.00 0.00 N ATOM 1279 CA LEU A 81 181.980 6.063 6.956 1.00 0.00 C ATOM 1280 C LEU A 81 182.616 7.442 6.820 1.00 0.00 C ATOM 1281 O LEU A 81 183.817 7.596 7.017 1.00 0.00 O ATOM 1282 CB LEU A 81 181.722 5.485 5.569 1.00 0.00 C ATOM 1283 CG LEU A 81 181.372 4.005 5.564 1.00 0.00 C ATOM 1284 CD1 LEU A 81 179.955 3.811 6.041 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.569 3.407 4.180 1.00 0.00 C ATOM 0 H LEU A 81 179.925 5.734 7.243 1.00 0.00 H new ATOM 0 HA LEU A 81 182.670 5.417 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.909 6.040 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 81 182.608 5.639 4.953 1.00 0.00 H new ATOM 0 HG LEU A 81 182.043 3.483 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 81 179.711 2.749 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.856 4.200 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 81 179.272 4.344 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.312 2.348 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 81 180.926 3.922 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.610 3.522 3.879 1.00 0.00 H new ATOM 1297 N GLU A 82 181.805 8.436 6.467 1.00 0.00 N ATOM 1298 CA GLU A 82 182.293 9.804 6.287 1.00 0.00 C ATOM 1299 C GLU A 82 183.279 10.201 7.383 1.00 0.00 C ATOM 1300 O GLU A 82 184.467 10.372 7.122 1.00 0.00 O ATOM 1301 CB GLU A 82 181.123 10.789 6.256 1.00 0.00 C ATOM 1302 CG GLU A 82 181.471 12.126 5.622 1.00 0.00 C ATOM 1303 CD GLU A 82 180.587 13.253 6.117 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.402 13.296 5.723 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.078 14.094 6.900 1.00 0.00 O ATOM 0 H GLU A 82 180.805 8.321 6.299 1.00 0.00 H new ATOM 0 HA GLU A 82 182.819 9.840 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.295 10.340 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.775 10.959 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.513 12.365 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.379 12.045 4.539 1.00 0.00 H new ATOM 1312 N ARG A 83 182.784 10.345 8.607 1.00 0.00 N ATOM 1313 CA ARG A 83 183.637 10.724 9.732 1.00 0.00 C ATOM 1314 C ARG A 83 184.818 9.768 9.876 1.00 0.00 C ATOM 1315 O ARG A 83 185.977 10.182 9.822 1.00 0.00 O ATOM 1316 CB ARG A 83 182.827 10.753 11.029 1.00 0.00 C ATOM 1317 CG ARG A 83 181.618 11.670 10.972 1.00 0.00 C ATOM 1318 CD ARG A 83 181.905 13.020 11.610 1.00 0.00 C ATOM 1319 NE ARG A 83 182.947 13.755 10.894 1.00 0.00 N ATOM 1320 CZ ARG A 83 184.225 13.804 11.273 1.00 0.00 C ATOM 1321 NH1 ARG A 83 184.634 13.161 12.362 1.00 0.00 N ATOM 1322 NH2 ARG A 83 185.098 14.500 10.559 1.00 0.00 N ATOM 0 H ARG A 83 181.802 10.206 8.847 1.00 0.00 H new ATOM 0 HA ARG A 83 184.028 11.722 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.494 9.742 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.476 11.071 11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.320 11.814 9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 83 180.779 11.198 11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 83 180.991 13.613 11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.211 12.873 12.646 1.00 0.00 H new ATOM 0 HE ARG A 83 182.679 14.263 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 83 183.968 12.623 12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 83 185.614 13.205 12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 83 184.792 14.996 9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 83 186.076 14.539 10.846 1.00 0.00 H new ATOM 1336 N GLN A 84 184.523 8.485 10.053 1.00 0.00 N ATOM 1337 CA GLN A 84 185.569 7.479 10.198 1.00 0.00 C ATOM 1338 C GLN A 84 186.572 7.565 9.049 1.00 0.00 C ATOM 1339 O GLN A 84 187.733 7.179 9.196 1.00 0.00 O ATOM 1340 CB GLN A 84 184.958 6.078 10.253 1.00 0.00 C ATOM 1341 CG GLN A 84 185.988 4.974 10.437 1.00 0.00 C ATOM 1342 CD GLN A 84 185.995 3.980 9.291 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.871 4.483 8.068 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 186.113 2.774 9.503 1.00 0.00 N flip ATOM 0 H GLN A 84 183.572 8.118 10.099 1.00 0.00 H new ATOM 0 HA GLN A 84 186.096 7.674 11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.241 6.035 11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.402 5.896 9.333 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.978 5.419 10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.785 4.446 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 84 186.206 2.431 10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 84 186.118 2.117 8.723 1.00 0.00 H new ATOM 1353 N LEU A 85 186.116 8.073 7.909 1.00 0.00 N ATOM 1354 CA LEU A 85 186.972 8.209 6.736 1.00 0.00 C ATOM 1355 C LEU A 85 188.011 9.304 6.943 1.00 0.00 C ATOM 1356 O LEU A 85 189.197 9.018 7.097 1.00 0.00 O ATOM 1357 CB LEU A 85 186.135 8.509 5.489 1.00 0.00 C ATOM 1358 CG LEU A 85 186.004 7.347 4.504 1.00 0.00 C ATOM 1359 CD1 LEU A 85 184.612 7.317 3.890 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.065 7.451 3.418 1.00 0.00 C ATOM 0 H LEU A 85 185.159 8.397 7.772 1.00 0.00 H new ATOM 0 HA LEU A 85 187.492 7.262 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.137 8.813 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.577 9.359 4.969 1.00 0.00 H new ATOM 0 HG LEU A 85 186.156 6.415 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 85 184.540 6.483 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 85 183.869 7.196 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 85 184.428 8.251 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 85 186.959 6.617 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 85 186.942 8.390 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.055 7.421 3.873 1.00 0.00 H new ATOM 1372 N ASN A 86 187.563 10.563 6.941 1.00 0.00 N ATOM 1373 CA ASN A 86 188.470 11.702 7.120 1.00 0.00 C ATOM 1374 C ASN A 86 189.551 11.392 8.153 1.00 0.00 C ATOM 1375 O ASN A 86 190.712 11.761 7.977 1.00 0.00 O ATOM 1376 CB ASN A 86 187.711 12.975 7.530 1.00 0.00 C ATOM 1377 CG ASN A 86 186.383 12.700 8.203 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.313 12.516 9.417 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.319 12.687 7.412 1.00 0.00 N ATOM 0 H ASN A 86 186.583 10.819 6.818 1.00 0.00 H new ATOM 0 HA ASN A 86 188.945 11.880 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.337 13.559 8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.540 13.587 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.393 12.519 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.426 12.845 6.410 1.00 0.00 H new ATOM 1386 N LYS A 87 189.166 10.705 9.224 1.00 0.00 N ATOM 1387 CA LYS A 87 190.108 10.344 10.276 1.00 0.00 C ATOM 1388 C LYS A 87 191.109 9.298 9.787 1.00 0.00 C ATOM 1389 O LYS A 87 192.243 9.627 9.441 1.00 0.00 O ATOM 1390 CB LYS A 87 189.354 9.823 11.508 1.00 0.00 C ATOM 1391 CG LYS A 87 190.248 9.173 12.560 1.00 0.00 C ATOM 1392 CD LYS A 87 191.567 9.916 12.720 1.00 0.00 C ATOM 1393 CE LYS A 87 192.266 9.541 14.018 1.00 0.00 C ATOM 1394 NZ LYS A 87 193.595 8.916 13.771 1.00 0.00 N ATOM 0 H LYS A 87 188.210 10.388 9.386 1.00 0.00 H new ATOM 0 HA LYS A 87 190.665 11.240 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.815 10.652 11.967 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.608 9.098 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.726 9.150 13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 87 190.446 8.138 12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 87 192.218 9.688 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.385 10.991 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 87 192.392 10.432 14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 87 191.639 8.850 14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 194.039 8.675 14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 193.473 8.052 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 194.202 9.584 13.255 1.00 0.00 H new ATOM 1408 N LEU A 88 190.686 8.036 9.769 1.00 0.00 N ATOM 1409 CA LEU A 88 191.549 6.940 9.330 1.00 0.00 C ATOM 1410 C LEU A 88 192.248 7.270 8.013 1.00 0.00 C ATOM 1411 O LEU A 88 193.345 6.786 7.740 1.00 0.00 O ATOM 1412 CB LEU A 88 190.724 5.657 9.164 1.00 0.00 C ATOM 1413 CG LEU A 88 191.472 4.344 9.429 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.670 3.160 8.908 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.855 4.370 8.793 1.00 0.00 C ATOM 0 H LEU A 88 189.750 7.746 10.053 1.00 0.00 H new ATOM 0 HA LEU A 88 192.312 6.793 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.868 5.708 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.329 5.630 8.148 1.00 0.00 H new ATOM 0 HG LEU A 88 191.595 4.234 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.215 2.237 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.704 3.125 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.516 3.269 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.366 3.428 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.758 4.507 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.433 5.193 9.213 1.00 0.00 H new ATOM 1427 N GLN A 89 191.593 8.082 7.192 1.00 0.00 N ATOM 1428 CA GLN A 89 192.139 8.456 5.893 1.00 0.00 C ATOM 1429 C GLN A 89 192.999 9.717 5.962 1.00 0.00 C ATOM 1430 O GLN A 89 193.697 10.044 5.004 1.00 0.00 O ATOM 1431 CB GLN A 89 191.004 8.660 4.892 1.00 0.00 C ATOM 1432 CG GLN A 89 191.230 7.952 3.566 1.00 0.00 C ATOM 1433 CD GLN A 89 191.248 6.442 3.705 1.00 0.00 C ATOM 1434 OE1 GLN A 89 191.963 5.890 4.541 1.00 0.00 O ATOM 1435 NE2 GLN A 89 190.458 5.763 2.883 1.00 0.00 N ATOM 0 H GLN A 89 190.684 8.494 7.402 1.00 0.00 H new ATOM 0 HA GLN A 89 192.784 7.640 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 89 190.073 8.302 5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 89 190.880 9.727 4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 89 190.445 8.239 2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 89 192.175 8.285 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 89 189.881 6.260 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 89 190.428 4.745 2.930 1.00 0.00 H new ATOM 1444 N HIS A 90 192.940 10.426 7.086 1.00 0.00 N ATOM 1445 CA HIS A 90 193.716 11.651 7.257 1.00 0.00 C ATOM 1446 C HIS A 90 195.216 11.377 7.139 1.00 0.00 C ATOM 1447 O HIS A 90 195.940 11.383 8.135 1.00 0.00 O ATOM 1448 CB HIS A 90 193.402 12.286 8.612 1.00 0.00 C ATOM 1449 CG HIS A 90 193.108 13.752 8.534 1.00 0.00 C ATOM 1450 ND1 HIS A 90 192.480 14.339 7.455 1.00 0.00 N ATOM 1451 CD2 HIS A 90 193.358 14.753 9.411 1.00 0.00 C ATOM 1452 CE1 HIS A 90 192.359 15.636 7.671 1.00 0.00 C ATOM 1453 NE2 HIS A 90 192.884 15.914 8.851 1.00 0.00 N ATOM 0 H HIS A 90 192.365 10.174 7.890 1.00 0.00 H new ATOM 0 HA HIS A 90 193.436 12.343 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 90 192.546 11.775 9.053 1.00 0.00 H new ATOM 0 HB3 HIS A 90 194.247 12.129 9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 90 193.841 14.656 10.372 1.00 0.00 H new ATOM 0 HE1 HIS A 90 191.907 16.349 6.997 1.00 0.00 H new ATOM 0 HE2 HIS A 90 192.930 16.840 9.277 1.00 0.00 H new ATOM 1462 N LYS A 91 195.672 11.137 5.912 1.00 0.00 N ATOM 1463 CA LYS A 91 197.083 10.858 5.648 1.00 0.00 C ATOM 1464 C LYS A 91 197.282 10.441 4.193 1.00 0.00 C ATOM 1465 O LYS A 91 197.236 9.255 3.867 1.00 0.00 O ATOM 1466 CB LYS A 91 197.602 9.758 6.580 1.00 0.00 C ATOM 1467 CG LYS A 91 198.872 10.141 7.322 1.00 0.00 C ATOM 1468 CD LYS A 91 200.109 9.590 6.628 1.00 0.00 C ATOM 1469 CE LYS A 91 200.277 8.102 6.892 1.00 0.00 C ATOM 1470 NZ LYS A 91 199.778 7.276 5.759 1.00 0.00 N ATOM 0 H LYS A 91 195.082 11.130 5.080 1.00 0.00 H new ATOM 0 HA LYS A 91 197.649 11.771 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 91 196.827 9.512 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 91 197.790 8.857 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 91 198.943 11.227 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 91 198.827 9.762 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 91 200.034 9.764 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 91 200.992 10.125 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 91 201.330 7.881 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 91 199.740 7.832 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 198.803 6.971 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 199.796 7.839 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 200.386 6.440 5.645 1.00 0.00 H new ATOM 1484 N GLY A 92 197.500 11.422 3.323 1.00 0.00 N ATOM 1485 CA GLY A 92 197.699 11.133 1.916 1.00 0.00 C ATOM 1486 C GLY A 92 198.552 12.176 1.224 1.00 0.00 C ATOM 1487 O GLY A 92 198.475 13.362 1.542 1.00 0.00 O ATOM 0 H GLY A 92 197.542 12.411 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 92 198.171 10.156 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 92 196.730 11.074 1.420 1.00 0.00 H new ATOM 1491 N GLU A 93 199.368 11.730 0.276 1.00 0.00 N ATOM 1492 CA GLU A 93 200.244 12.632 -0.466 1.00 0.00 C ATOM 1493 C GLU A 93 200.039 12.474 -1.971 1.00 0.00 C ATOM 1494 O GLU A 93 200.983 12.193 -2.710 1.00 0.00 O ATOM 1495 CB GLU A 93 201.710 12.365 -0.109 1.00 0.00 C ATOM 1496 CG GLU A 93 201.933 12.041 1.360 1.00 0.00 C ATOM 1497 CD GLU A 93 201.685 13.232 2.265 1.00 0.00 C ATOM 1498 OE1 GLU A 93 202.462 14.207 2.189 1.00 0.00 O ATOM 1499 OE2 GLU A 93 200.714 13.189 3.049 1.00 0.00 O ATOM 0 H GLU A 93 199.442 10.750 0.002 1.00 0.00 H new ATOM 0 HA GLU A 93 199.990 13.655 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 93 202.077 11.536 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 93 202.304 13.240 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 93 201.273 11.224 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 93 202.956 11.690 1.500 1.00 0.00 H new ATOM 1506 N ALA A 94 198.800 12.656 -2.419 1.00 0.00 N ATOM 1507 CA ALA A 94 198.476 12.532 -3.835 1.00 0.00 C ATOM 1508 C ALA A 94 197.020 12.897 -4.103 1.00 0.00 C ATOM 1509 O ALA A 94 196.217 13.017 -3.177 1.00 0.00 O ATOM 1510 CB ALA A 94 198.765 11.119 -4.320 1.00 0.00 C ATOM 0 H ALA A 94 198.006 12.889 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 94 199.104 13.231 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 94 198.519 11.040 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 94 199.822 10.894 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 94 198.162 10.409 -3.753 1.00 0.00 H new ATOM 1516 N ARG A 95 196.687 13.070 -5.379 1.00 0.00 N ATOM 1517 CA ARG A 95 195.329 13.420 -5.779 1.00 0.00 C ATOM 1518 C ARG A 95 195.200 13.429 -7.299 1.00 0.00 C ATOM 1519 O ARG A 95 194.992 14.478 -7.911 1.00 0.00 O ATOM 1520 CB ARG A 95 194.942 14.787 -5.209 1.00 0.00 C ATOM 1521 CG ARG A 95 194.179 14.705 -3.896 1.00 0.00 C ATOM 1522 CD ARG A 95 192.905 15.533 -3.936 1.00 0.00 C ATOM 1523 NE ARG A 95 193.176 16.945 -4.195 1.00 0.00 N ATOM 1524 CZ ARG A 95 192.318 17.928 -3.923 1.00 0.00 C ATOM 1525 NH1 ARG A 95 191.136 17.655 -3.388 1.00 0.00 N ATOM 1526 NH2 ARG A 95 192.645 19.184 -4.190 1.00 0.00 N ATOM 0 H ARG A 95 197.342 12.973 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 95 194.650 12.667 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 95 195.846 15.378 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 95 194.333 15.317 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 95 193.931 13.665 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 95 194.815 15.054 -3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 95 192.244 15.143 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 95 192.378 15.433 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 95 194.075 17.193 -4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 95 190.880 16.689 -3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 95 190.483 18.411 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 95 193.553 19.398 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 95 191.989 19.937 -3.982 1.00 0.00 H new ATOM 1540 N ARG A 96 195.333 12.253 -7.904 1.00 0.00 N ATOM 1541 CA ARG A 96 195.238 12.121 -9.355 1.00 0.00 C ATOM 1542 C ARG A 96 193.805 11.828 -9.783 1.00 0.00 C ATOM 1543 O ARG A 96 192.888 11.823 -8.961 1.00 0.00 O ATOM 1544 CB ARG A 96 196.169 11.010 -9.856 1.00 0.00 C ATOM 1545 CG ARG A 96 197.326 10.705 -8.915 1.00 0.00 C ATOM 1546 CD ARG A 96 198.511 10.111 -9.661 1.00 0.00 C ATOM 1547 NE ARG A 96 199.442 9.439 -8.758 1.00 0.00 N ATOM 1548 CZ ARG A 96 200.230 10.076 -7.895 1.00 0.00 C ATOM 1549 NH1 ARG A 96 200.209 11.402 -7.820 1.00 0.00 N ATOM 1550 NH2 ARG A 96 201.043 9.387 -7.105 1.00 0.00 N ATOM 0 H ARG A 96 195.507 11.377 -7.412 1.00 0.00 H new ATOM 0 HA ARG A 96 195.545 13.068 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 96 195.586 10.101 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 96 196.570 11.296 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 96 197.635 11.619 -8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 96 196.995 10.010 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 96 198.152 9.401 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 96 199.034 10.901 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 96 199.491 8.421 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 96 199.587 11.937 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 96 200.815 11.885 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 96 201.064 8.369 -7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 96 201.647 9.876 -6.444 1.00 0.00 H new ATOM 1564 N ALA A 97 193.618 11.580 -11.077 1.00 0.00 N ATOM 1565 CA ALA A 97 192.297 11.282 -11.622 1.00 0.00 C ATOM 1566 C ALA A 97 191.382 12.501 -11.551 1.00 0.00 C ATOM 1567 O ALA A 97 191.053 13.101 -12.573 1.00 0.00 O ATOM 1568 CB ALA A 97 191.672 10.106 -10.886 1.00 0.00 C ATOM 0 H ALA A 97 194.367 11.580 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 97 192.420 11.015 -12.672 1.00 0.00 H new ATOM 0 HB1 ALA A 97 190.687 9.897 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 97 192.308 9.228 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 97 191.572 10.350 -9.828 1.00 0.00 H new ATOM 1574 N ALA A 98 190.973 12.860 -10.338 1.00 0.00 N ATOM 1575 CA ALA A 98 190.094 14.005 -10.135 1.00 0.00 C ATOM 1576 C ALA A 98 188.739 13.781 -10.796 1.00 0.00 C ATOM 1577 O ALA A 98 188.225 14.653 -11.498 1.00 0.00 O ATOM 1578 CB ALA A 98 190.746 15.272 -10.671 1.00 0.00 C ATOM 0 H ALA A 98 191.237 12.374 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 98 189.929 14.121 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 98 190.079 16.119 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 98 191.686 15.447 -10.147 1.00 0.00 H new ATOM 0 HB3 ALA A 98 190.941 15.158 -11.737 1.00 0.00 H new ATOM 1584 N THR A 99 188.162 12.606 -10.566 1.00 0.00 N ATOM 1585 CA THR A 99 186.865 12.265 -11.139 1.00 0.00 C ATOM 1586 C THR A 99 185.757 13.113 -10.521 1.00 0.00 C ATOM 1587 O THR A 99 185.918 13.664 -9.431 1.00 0.00 O ATOM 1588 CB THR A 99 186.565 10.780 -10.926 1.00 0.00 C ATOM 1589 OG1 THR A 99 187.764 10.048 -10.743 1.00 0.00 O ATOM 1590 CG2 THR A 99 185.814 10.150 -12.080 1.00 0.00 C ATOM 0 H THR A 99 188.572 11.874 -9.987 1.00 0.00 H new ATOM 0 HA THR A 99 186.902 12.472 -12.209 1.00 0.00 H new ATOM 0 HB THR A 99 185.936 10.736 -10.037 1.00 0.00 H new ATOM 0 HG1 THR A 99 187.552 9.101 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 99 185.633 9.097 -11.865 1.00 0.00 H new ATOM 0 HG22 THR A 99 184.861 10.661 -12.216 1.00 0.00 H new ATOM 0 HG23 THR A 99 186.406 10.238 -12.991 1.00 0.00 H new ATOM 1598 N SER A 100 184.633 13.214 -11.224 1.00 0.00 N ATOM 1599 CA SER A 100 183.499 13.994 -10.744 1.00 0.00 C ATOM 1600 C SER A 100 182.996 13.458 -9.409 1.00 0.00 C ATOM 1601 O SER A 100 183.142 12.273 -9.109 1.00 0.00 O ATOM 1602 CB SER A 100 182.368 13.975 -11.774 1.00 0.00 C ATOM 1603 OG SER A 100 182.292 12.718 -12.424 1.00 0.00 O ATOM 0 H SER A 100 184.484 12.765 -12.128 1.00 0.00 H new ATOM 0 HA SER A 100 183.832 15.022 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 100 181.420 14.191 -11.282 1.00 0.00 H new ATOM 0 HB3 SER A 100 182.531 14.760 -12.512 1.00 0.00 H new ATOM 0 HG SER A 100 181.561 12.731 -13.076 1.00 0.00 H new ATOM 1609 N VAL A 101 182.404 14.338 -8.606 1.00 0.00 N ATOM 1610 CA VAL A 101 181.881 13.948 -7.299 1.00 0.00 C ATOM 1611 C VAL A 101 180.384 13.652 -7.368 1.00 0.00 C ATOM 1612 O VAL A 101 179.980 12.498 -7.517 1.00 0.00 O ATOM 1613 CB VAL A 101 182.143 15.023 -6.215 1.00 0.00 C ATOM 1614 CG1 VAL A 101 183.385 14.673 -5.412 1.00 0.00 C ATOM 1615 CG2 VAL A 101 182.276 16.413 -6.827 1.00 0.00 C ATOM 0 H VAL A 101 182.274 15.323 -8.836 1.00 0.00 H new ATOM 0 HA VAL A 101 182.416 13.042 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 101 181.283 15.038 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 101 183.556 15.438 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 101 183.245 13.707 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 101 184.247 14.623 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 101 182.459 17.142 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 101 183.109 16.423 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 101 181.355 16.669 -7.351 1.00 0.00 H new ATOM 1625 N LYS A 102 179.562 14.694 -7.259 1.00 0.00 N ATOM 1626 CA LYS A 102 178.114 14.526 -7.309 1.00 0.00 C ATOM 1627 C LYS A 102 177.587 14.674 -8.734 1.00 0.00 C ATOM 1628 O LYS A 102 176.967 13.754 -9.270 1.00 0.00 O ATOM 1629 CB LYS A 102 177.415 15.527 -6.378 1.00 0.00 C ATOM 1630 CG LYS A 102 177.886 16.966 -6.535 1.00 0.00 C ATOM 1631 CD LYS A 102 178.019 17.661 -5.188 1.00 0.00 C ATOM 1632 CE LYS A 102 179.115 17.031 -4.342 1.00 0.00 C ATOM 1633 NZ LYS A 102 180.405 17.764 -4.469 1.00 0.00 N ATOM 0 H LYS A 102 179.873 15.658 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 102 177.889 13.516 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 102 176.341 15.487 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 102 177.574 15.216 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 102 178.847 16.981 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 102 177.181 17.514 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 102 178.239 18.717 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 102 177.070 17.608 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 102 178.805 17.019 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 102 179.256 15.993 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 181.183 17.157 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 180.562 18.020 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 180.372 18.628 -3.890 1.00 0.00 H new ATOM 1647 N ASP A 103 177.840 15.831 -9.347 1.00 0.00 N ATOM 1648 CA ASP A 103 177.395 16.101 -10.714 1.00 0.00 C ATOM 1649 C ASP A 103 175.973 15.590 -10.950 1.00 0.00 C ATOM 1650 O ASP A 103 175.711 14.868 -11.913 1.00 0.00 O ATOM 1651 CB ASP A 103 178.355 15.462 -11.720 1.00 0.00 C ATOM 1652 CG ASP A 103 178.472 13.963 -11.538 1.00 0.00 C ATOM 1653 OD1 ASP A 103 179.220 13.530 -10.636 1.00 0.00 O ATOM 1654 OD2 ASP A 103 177.816 13.219 -12.298 1.00 0.00 O ATOM 0 H ASP A 103 178.353 16.599 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 103 177.393 17.182 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 103 178.011 15.676 -12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 103 179.341 15.916 -11.615 1.00 0.00 H new ATOM 1659 N ALA A 104 175.059 15.965 -10.059 1.00 0.00 N ATOM 1660 CA ALA A 104 173.669 15.541 -10.167 1.00 0.00 C ATOM 1661 C ALA A 104 173.012 16.103 -11.424 1.00 0.00 C ATOM 1662 O ALA A 104 172.864 15.401 -12.425 1.00 0.00 O ATOM 1663 CB ALA A 104 172.892 15.965 -8.927 1.00 0.00 C ATOM 0 H ALA A 104 175.257 16.561 -9.255 1.00 0.00 H new ATOM 0 HA ALA A 104 173.654 14.454 -10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 104 171.855 15.643 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 104 173.337 15.506 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 104 172.927 17.050 -8.829 1.00 0.00 H new ATOM 1669 N ASN A 105 172.614 17.371 -11.365 1.00 0.00 N ATOM 1670 CA ASN A 105 171.969 18.023 -12.500 1.00 0.00 C ATOM 1671 C ASN A 105 172.972 18.844 -13.305 1.00 0.00 C ATOM 1672 O ASN A 105 172.609 19.837 -13.935 1.00 0.00 O ATOM 1673 CB ASN A 105 170.828 18.923 -12.018 1.00 0.00 C ATOM 1674 CG ASN A 105 169.977 18.262 -10.950 1.00 0.00 C ATOM 1675 OD1 ASN A 105 169.569 18.903 -9.981 1.00 0.00 O ATOM 1676 ND2 ASN A 105 169.706 16.974 -11.118 1.00 0.00 N ATOM 0 H ASN A 105 172.727 17.966 -10.544 1.00 0.00 H new ATOM 0 HA ASN A 105 171.563 17.245 -13.147 1.00 0.00 H new ATOM 0 HB2 ASN A 105 171.243 19.851 -11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 105 170.198 19.190 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 105 169.140 16.478 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 105 170.064 16.480 -11.936 1.00 0.00 H new ATOM 1683 N PHE A 106 174.233 18.426 -13.279 1.00 0.00 N ATOM 1684 CA PHE A 106 175.286 19.127 -14.005 1.00 0.00 C ATOM 1685 C PHE A 106 175.499 18.522 -15.392 1.00 0.00 C ATOM 1686 O PHE A 106 176.536 18.740 -16.018 1.00 0.00 O ATOM 1687 CB PHE A 106 176.594 19.082 -13.210 1.00 0.00 C ATOM 1688 CG PHE A 106 176.616 19.986 -12.004 1.00 0.00 C ATOM 1689 CD1 PHE A 106 175.467 20.641 -11.576 1.00 0.00 C ATOM 1690 CD2 PHE A 106 177.791 20.179 -11.296 1.00 0.00 C ATOM 1691 CE1 PHE A 106 175.495 21.467 -10.469 1.00 0.00 C ATOM 1692 CE2 PHE A 106 177.824 21.005 -10.187 1.00 0.00 C ATOM 1693 CZ PHE A 106 176.675 21.649 -9.774 1.00 0.00 C ATOM 0 H PHE A 106 174.551 17.605 -12.763 1.00 0.00 H new ATOM 0 HA PHE A 106 174.975 20.164 -14.130 1.00 0.00 H new ATOM 0 HB2 PHE A 106 176.773 18.057 -12.885 1.00 0.00 H new ATOM 0 HB3 PHE A 106 177.417 19.356 -13.870 1.00 0.00 H new ATOM 0 HD1 PHE A 106 174.542 20.503 -12.115 1.00 0.00 H new ATOM 0 HD2 PHE A 106 178.693 19.678 -11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 106 174.595 21.970 -10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 106 178.747 21.146 -9.645 1.00 0.00 H new ATOM 0 HZ PHE A 106 176.698 22.294 -8.908 1.00 0.00 H new ATOM 1703 N VAL A 107 174.516 17.763 -15.868 1.00 0.00 N ATOM 1704 CA VAL A 107 174.607 17.130 -17.179 1.00 0.00 C ATOM 1705 C VAL A 107 173.720 17.844 -18.196 1.00 0.00 C ATOM 1706 O VAL A 107 173.078 18.847 -17.881 1.00 0.00 O ATOM 1707 CB VAL A 107 174.208 15.643 -17.116 1.00 0.00 C ATOM 1708 CG1 VAL A 107 175.138 14.881 -16.184 1.00 0.00 C ATOM 1709 CG2 VAL A 107 172.758 15.492 -16.674 1.00 0.00 C ATOM 0 H VAL A 107 173.649 17.572 -15.366 1.00 0.00 H new ATOM 0 HA VAL A 107 175.648 17.203 -17.494 1.00 0.00 H new ATOM 0 HB VAL A 107 174.303 15.220 -18.116 1.00 0.00 H new ATOM 0 HG11 VAL A 107 174.842 13.833 -16.152 1.00 0.00 H new ATOM 0 HG12 VAL A 107 176.162 14.957 -16.549 1.00 0.00 H new ATOM 0 HG13 VAL A 107 175.078 15.306 -15.182 1.00 0.00 H new ATOM 0 HG21 VAL A 107 172.497 14.434 -16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 107 172.631 15.932 -15.685 1.00 0.00 H new ATOM 0 HG23 VAL A 107 172.106 16.001 -17.384 1.00 0.00 H new ATOM 1719 N GLU A 108 173.687 17.318 -19.417 1.00 0.00 N ATOM 1720 CA GLU A 108 172.881 17.901 -20.480 1.00 0.00 C ATOM 1721 C GLU A 108 171.841 16.901 -20.980 1.00 0.00 C ATOM 1722 O GLU A 108 171.583 15.886 -20.334 1.00 0.00 O ATOM 1723 CB GLU A 108 173.777 18.357 -21.636 1.00 0.00 C ATOM 1724 CG GLU A 108 174.424 17.209 -22.397 1.00 0.00 C ATOM 1725 CD GLU A 108 174.109 17.241 -23.880 1.00 0.00 C ATOM 1726 OE1 GLU A 108 174.590 18.166 -24.569 1.00 0.00 O ATOM 1727 OE2 GLU A 108 173.382 16.341 -24.353 1.00 0.00 O ATOM 0 H GLU A 108 174.211 16.488 -19.693 1.00 0.00 H new ATOM 0 HA GLU A 108 172.358 18.768 -20.077 1.00 0.00 H new ATOM 0 HB2 GLU A 108 173.185 18.953 -22.330 1.00 0.00 H new ATOM 0 HB3 GLU A 108 174.559 19.008 -21.244 1.00 0.00 H new ATOM 0 HG2 GLU A 108 175.504 17.249 -22.258 1.00 0.00 H new ATOM 0 HG3 GLU A 108 174.084 16.262 -21.977 1.00 0.00 H new ATOM 1734 N GLU A 109 171.248 17.193 -22.133 1.00 0.00 N ATOM 1735 CA GLU A 109 170.238 16.319 -22.717 1.00 0.00 C ATOM 1736 C GLU A 109 170.869 15.024 -23.221 1.00 0.00 C ATOM 1737 O GLU A 109 172.019 14.718 -22.902 1.00 0.00 O ATOM 1738 CB GLU A 109 169.514 17.029 -23.865 1.00 0.00 C ATOM 1739 CG GLU A 109 169.225 18.499 -23.596 1.00 0.00 C ATOM 1740 CD GLU A 109 168.574 18.731 -22.247 1.00 0.00 C ATOM 1741 OE1 GLU A 109 167.994 17.774 -21.695 1.00 0.00 O ATOM 1742 OE2 GLU A 109 168.644 19.873 -21.742 1.00 0.00 O ATOM 0 H GLU A 109 171.450 18.029 -22.682 1.00 0.00 H new ATOM 0 HA GLU A 109 169.513 16.074 -21.940 1.00 0.00 H new ATOM 0 HB2 GLU A 109 170.118 16.947 -24.769 1.00 0.00 H new ATOM 0 HB3 GLU A 109 168.574 16.514 -24.062 1.00 0.00 H new ATOM 0 HG2 GLU A 109 170.156 19.063 -23.647 1.00 0.00 H new ATOM 0 HG3 GLU A 109 168.574 18.886 -24.380 1.00 0.00 H new ATOM 1749 N VAL A 110 170.110 14.268 -24.009 1.00 0.00 N ATOM 1750 CA VAL A 110 170.598 13.006 -24.557 1.00 0.00 C ATOM 1751 C VAL A 110 171.877 13.215 -25.362 1.00 0.00 C ATOM 1752 O VAL A 110 171.875 13.899 -26.386 1.00 0.00 O ATOM 1753 CB VAL A 110 169.536 12.338 -25.455 1.00 0.00 C ATOM 1754 CG1 VAL A 110 169.195 13.232 -26.639 1.00 0.00 C ATOM 1755 CG2 VAL A 110 170.017 10.973 -25.928 1.00 0.00 C ATOM 0 H VAL A 110 169.157 14.506 -24.282 1.00 0.00 H new ATOM 0 HA VAL A 110 170.810 12.351 -23.712 1.00 0.00 H new ATOM 0 HB VAL A 110 168.630 12.194 -24.867 1.00 0.00 H new ATOM 0 HG11 VAL A 110 168.444 12.743 -27.260 1.00 0.00 H new ATOM 0 HG12 VAL A 110 168.803 14.182 -26.276 1.00 0.00 H new ATOM 0 HG13 VAL A 110 170.093 13.412 -27.230 1.00 0.00 H new ATOM 0 HG21 VAL A 110 169.255 10.517 -26.560 1.00 0.00 H new ATOM 0 HG22 VAL A 110 170.939 11.089 -26.498 1.00 0.00 H new ATOM 0 HG23 VAL A 110 170.202 10.333 -25.065 1.00 0.00 H new ATOM 1765 N GLU A 111 172.971 12.624 -24.890 1.00 0.00 N ATOM 1766 CA GLU A 111 174.259 12.748 -25.565 1.00 0.00 C ATOM 1767 C GLU A 111 174.306 11.898 -26.830 1.00 0.00 C ATOM 1768 O GLU A 111 175.146 12.111 -27.703 1.00 0.00 O ATOM 1769 CB GLU A 111 175.393 12.348 -24.621 1.00 0.00 C ATOM 1770 CG GLU A 111 176.777 12.672 -25.160 1.00 0.00 C ATOM 1771 CD GLU A 111 177.856 11.786 -24.568 1.00 0.00 C ATOM 1772 OE1 GLU A 111 177.512 10.711 -24.032 1.00 0.00 O ATOM 1773 OE2 GLU A 111 179.043 12.165 -24.641 1.00 0.00 O ATOM 0 H GLU A 111 172.991 12.055 -24.044 1.00 0.00 H new ATOM 0 HA GLU A 111 174.386 13.791 -25.854 1.00 0.00 H new ATOM 0 HB2 GLU A 111 175.256 12.856 -23.666 1.00 0.00 H new ATOM 0 HB3 GLU A 111 175.330 11.278 -24.424 1.00 0.00 H new ATOM 0 HG2 GLU A 111 176.776 12.561 -26.244 1.00 0.00 H new ATOM 0 HG3 GLU A 111 177.011 13.715 -24.947 1.00 0.00 H new ATOM 1780 N GLU A 112 173.398 10.936 -26.919 1.00 0.00 N ATOM 1781 CA GLU A 112 173.324 10.045 -28.075 1.00 0.00 C ATOM 1782 C GLU A 112 174.707 9.516 -28.456 1.00 0.00 C ATOM 1783 O GLU A 112 175.307 9.969 -29.430 1.00 0.00 O ATOM 1784 CB GLU A 112 172.697 10.775 -29.266 1.00 0.00 C ATOM 1785 CG GLU A 112 171.228 10.443 -29.476 1.00 0.00 C ATOM 1786 CD GLU A 112 170.461 11.578 -30.126 1.00 0.00 C ATOM 1787 OE1 GLU A 112 170.605 11.766 -31.352 1.00 0.00 O ATOM 1788 OE2 GLU A 112 169.717 12.280 -29.407 1.00 0.00 O ATOM 0 H GLU A 112 172.697 10.750 -26.201 1.00 0.00 H new ATOM 0 HA GLU A 112 172.698 9.195 -27.804 1.00 0.00 H new ATOM 0 HB2 GLU A 112 172.801 11.850 -29.119 1.00 0.00 H new ATOM 0 HB3 GLU A 112 173.251 10.522 -30.170 1.00 0.00 H new ATOM 0 HG2 GLU A 112 171.146 9.551 -30.097 1.00 0.00 H new ATOM 0 HG3 GLU A 112 170.772 10.205 -28.515 1.00 0.00 H new ATOM 1795 N GLU A 113 175.202 8.559 -27.681 1.00 0.00 N ATOM 1796 CA GLU A 113 176.512 7.972 -27.937 1.00 0.00 C ATOM 1797 C GLU A 113 176.523 7.225 -29.268 1.00 0.00 C ATOM 1798 O GLU A 113 175.749 6.256 -29.409 1.00 0.00 O ATOM 1799 CB GLU A 113 176.899 7.020 -26.804 1.00 0.00 C ATOM 1800 CG GLU A 113 178.277 6.399 -26.975 1.00 0.00 C ATOM 1801 CD GLU A 113 179.333 7.082 -26.128 1.00 0.00 C ATOM 1802 OE1 GLU A 113 179.036 7.412 -24.961 1.00 0.00 O ATOM 1803 OE2 GLU A 113 180.458 7.287 -26.634 1.00 0.00 O ATOM 1804 OXT GLU A 113 177.306 7.619 -30.159 1.00 0.00 O ATOM 0 H GLU A 113 174.717 8.173 -26.871 1.00 0.00 H new ATOM 0 HA GLU A 113 177.240 8.781 -27.987 1.00 0.00 H new ATOM 0 HB2 GLU A 113 176.869 7.562 -25.859 1.00 0.00 H new ATOM 0 HB3 GLU A 113 176.157 6.225 -26.739 1.00 0.00 H new ATOM 0 HG2 GLU A 113 178.231 5.343 -26.710 1.00 0.00 H new ATOM 0 HG3 GLU A 113 178.568 6.452 -28.024 1.00 0.00 H new TER 1811 GLU A 113