USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 33:sc= 1.26 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.08 K(o=0.17,f=-0.49) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.4 (180deg=0.924) USER MOD Single : A 3 HIS : no HE2:sc= -0.716 X(o=-0.72,f=-0.66) USER MOD Single : A 4 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.36) USER MOD Single : A 5 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=-0.25) USER MOD Single : A 6 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0048) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -90:sc= 0.14 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 31:sc= 0.0266 USER MOD Single : A 16 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.807 K(o=0.81,f=-5.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.234 F(o=-0.78,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 159:sc= -0.098 (180deg=-0.665) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0587 USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 1.29 (180deg=-2.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.504 (180deg=-2.5!) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0215 (180deg=-0.205) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -127:sc= 0.0894 USER MOD Single : A 57 MET CE :methyl -120:sc= -1.14 (180deg=-1.26) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -8:sc= 1.01 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.958 (180deg=0.476) USER MOD Single : A 73 SER OG : rot -32:sc= 0.247 USER MOD Single : A 76 SER OG : rot 57:sc= 0.262 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.671 6.460 -23.334 1.00 22.12 N ATOM 2 CA MET A 1 -18.541 5.939 -22.529 1.00 74.52 C ATOM 3 C MET A 1 -18.564 4.419 -22.491 1.00 43.15 C ATOM 4 O MET A 1 -19.390 3.814 -21.807 1.00 4.35 O ATOM 5 CB MET A 1 -18.583 6.489 -21.097 1.00 20.15 C ATOM 6 CG MET A 1 -18.226 7.965 -20.986 1.00 34.34 C ATOM 7 SD MET A 1 -19.416 9.038 -21.806 1.00 61.23 S ATOM 8 CE MET A 1 -18.646 10.636 -21.554 1.00 32.01 C ATOM 0 H1 MET A 1 -19.825 7.463 -23.108 1.00 22.12 H new ATOM 0 H2 MET A 1 -19.450 6.363 -24.346 1.00 22.12 H new ATOM 0 H3 MET A 1 -20.532 5.919 -23.114 1.00 22.12 H new ATOM 0 HA MET A 1 -17.618 6.271 -23.005 1.00 74.52 H new ATOM 0 HB2 MET A 1 -19.583 6.337 -20.690 1.00 20.15 H new ATOM 0 HB3 MET A 1 -17.896 5.913 -20.478 1.00 20.15 H new ATOM 0 HG2 MET A 1 -18.162 8.240 -19.933 1.00 34.34 H new ATOM 0 HG3 MET A 1 -17.239 8.128 -21.419 1.00 34.34 H new ATOM 0 HE1 MET A 1 -19.263 11.413 -22.006 1.00 32.01 H new ATOM 0 HE2 MET A 1 -18.547 10.828 -20.486 1.00 32.01 H new ATOM 0 HE3 MET A 1 -17.659 10.641 -22.017 1.00 32.01 H new ATOM 20 N GLY A 2 -17.653 3.807 -23.232 1.00 41.22 N ATOM 21 CA GLY A 2 -17.556 2.363 -23.259 1.00 75.21 C ATOM 22 C GLY A 2 -16.304 1.881 -22.560 1.00 21.51 C ATOM 23 O GLY A 2 -15.409 1.318 -23.189 1.00 14.14 O ATOM 0 H GLY A 2 -16.974 4.290 -23.820 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -18.433 1.929 -22.779 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -17.554 2.016 -24.292 1.00 75.21 H new ATOM 27 N HIS A 3 -16.245 2.119 -21.257 1.00 53.04 N ATOM 28 CA HIS A 3 -15.072 1.786 -20.456 1.00 33.45 C ATOM 29 C HIS A 3 -15.000 0.283 -20.213 1.00 12.45 C ATOM 30 O HIS A 3 -15.761 -0.261 -19.411 1.00 32.01 O ATOM 31 CB HIS A 3 -15.121 2.540 -19.113 1.00 13.30 C ATOM 32 CG HIS A 3 -13.883 2.413 -18.267 1.00 55.53 C ATOM 33 ND1 HIS A 3 -13.266 3.498 -17.685 1.00 21.41 N ATOM 34 CD2 HIS A 3 -13.169 1.329 -17.877 1.00 43.44 C ATOM 35 CE1 HIS A 3 -12.228 3.090 -16.983 1.00 74.43 C ATOM 36 NE2 HIS A 3 -12.148 1.778 -17.080 1.00 55.12 N ATOM 0 H HIS A 3 -17.004 2.546 -20.726 1.00 53.04 H new ATOM 0 HA HIS A 3 -14.179 2.090 -21.002 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -15.299 3.597 -19.313 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -15.974 2.176 -18.540 1.00 13.30 H new ATOM 0 HD1 HIS A 3 -13.566 4.468 -17.782 1.00 21.41 H new ATOM 0 HD2 HIS A 3 -13.368 0.302 -18.145 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -11.556 3.724 -16.423 1.00 74.43 H new ATOM 45 N HIS A 4 -14.090 -0.383 -20.906 1.00 53.41 N ATOM 46 CA HIS A 4 -13.845 -1.795 -20.665 1.00 63.41 C ATOM 47 C HIS A 4 -12.370 -2.004 -20.328 1.00 43.01 C ATOM 48 O HIS A 4 -11.496 -1.951 -21.193 1.00 74.43 O ATOM 49 CB HIS A 4 -14.303 -2.669 -21.852 1.00 52.24 C ATOM 50 CG HIS A 4 -13.474 -2.557 -23.100 1.00 71.32 C ATOM 51 ND1 HIS A 4 -12.711 -3.599 -23.579 1.00 70.13 N ATOM 52 CD2 HIS A 4 -13.299 -1.533 -23.971 1.00 1.24 C ATOM 53 CE1 HIS A 4 -12.100 -3.224 -24.687 1.00 12.34 C ATOM 54 NE2 HIS A 4 -12.440 -1.977 -24.948 1.00 25.23 N ATOM 0 H HIS A 4 -13.511 0.030 -21.637 1.00 53.41 H new ATOM 0 HA HIS A 4 -14.443 -2.116 -19.812 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -14.307 -3.711 -21.532 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -15.332 -2.407 -22.097 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -13.749 -0.553 -23.909 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -11.435 -3.835 -25.279 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -12.118 -1.430 -25.746 1.00 25.23 H new ATOM 63 N HIS A 5 -12.103 -2.183 -19.049 1.00 53.42 N ATOM 64 CA HIS A 5 -10.744 -2.327 -18.552 1.00 1.15 C ATOM 65 C HIS A 5 -10.774 -3.111 -17.246 1.00 4.32 C ATOM 66 O HIS A 5 -10.577 -2.561 -16.162 1.00 24.02 O ATOM 67 CB HIS A 5 -10.117 -0.940 -18.353 1.00 30.34 C ATOM 68 CG HIS A 5 -8.687 -0.950 -17.897 1.00 53.31 C ATOM 69 ND1 HIS A 5 -8.323 -0.700 -16.594 1.00 54.33 N ATOM 70 CD2 HIS A 5 -7.537 -1.148 -18.576 1.00 45.24 C ATOM 71 CE1 HIS A 5 -7.011 -0.741 -16.489 1.00 54.54 C ATOM 72 NE2 HIS A 5 -6.505 -1.011 -17.678 1.00 23.14 N ATOM 0 H HIS A 5 -12.819 -2.233 -18.324 1.00 53.42 H new ATOM 0 HA HIS A 5 -10.134 -2.872 -19.273 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -10.179 -0.392 -19.293 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -10.712 -0.390 -17.623 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -7.445 -1.372 -19.628 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -6.445 -0.581 -15.583 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -5.513 -1.103 -17.895 1.00 23.14 H new ATOM 81 N HIS A 6 -11.071 -4.396 -17.357 1.00 45.40 N ATOM 82 CA HIS A 6 -11.221 -5.245 -16.190 1.00 74.22 C ATOM 83 C HIS A 6 -10.673 -6.635 -16.485 1.00 33.31 C ATOM 84 O HIS A 6 -10.942 -7.202 -17.544 1.00 44.15 O ATOM 85 CB HIS A 6 -12.704 -5.333 -15.799 1.00 21.14 C ATOM 86 CG HIS A 6 -12.960 -5.939 -14.448 1.00 4.44 C ATOM 87 ND1 HIS A 6 -13.570 -5.249 -13.424 1.00 71.13 N ATOM 88 CD2 HIS A 6 -12.713 -7.180 -13.965 1.00 0.13 C ATOM 89 CE1 HIS A 6 -13.686 -6.036 -12.373 1.00 11.44 C ATOM 90 NE2 HIS A 6 -13.172 -7.211 -12.676 1.00 51.22 N ATOM 0 H HIS A 6 -11.213 -4.873 -18.247 1.00 45.40 H new ATOM 0 HA HIS A 6 -10.660 -4.815 -15.360 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -13.132 -4.331 -15.820 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -13.230 -5.920 -16.552 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -12.242 -7.993 -14.497 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -14.127 -5.764 -11.425 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -13.124 -8.015 -12.050 1.00 51.22 H new ATOM 99 N HIS A 7 -9.889 -7.162 -15.562 1.00 34.15 N ATOM 100 CA HIS A 7 -9.387 -8.522 -15.675 1.00 65.00 C ATOM 101 C HIS A 7 -9.600 -9.238 -14.357 1.00 31.54 C ATOM 102 O HIS A 7 -9.829 -8.596 -13.331 1.00 32.25 O ATOM 103 CB HIS A 7 -7.890 -8.554 -16.019 1.00 75.41 C ATOM 104 CG HIS A 7 -7.520 -7.894 -17.309 1.00 10.02 C ATOM 105 ND1 HIS A 7 -8.016 -8.282 -18.536 1.00 55.04 N ATOM 106 CD2 HIS A 7 -6.679 -6.870 -17.556 1.00 53.41 C ATOM 107 CE1 HIS A 7 -7.491 -7.522 -19.479 1.00 63.14 C ATOM 108 NE2 HIS A 7 -6.678 -6.655 -18.911 1.00 43.31 N ATOM 0 H HIS A 7 -9.585 -6.668 -14.723 1.00 34.15 H new ATOM 0 HA HIS A 7 -9.931 -9.014 -16.481 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -7.337 -8.073 -15.212 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -7.564 -9.593 -16.054 1.00 75.41 H new ATOM 0 HD2 HIS A 7 -6.110 -6.319 -16.822 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -7.694 -7.598 -20.537 1.00 63.14 H new ATOM 0 HE2 HIS A 7 -6.137 -5.941 -19.399 1.00 43.31 H new ATOM 117 N HIS A 8 -9.541 -10.555 -14.387 1.00 2.53 N ATOM 118 CA HIS A 8 -9.568 -11.344 -13.169 1.00 24.33 C ATOM 119 C HIS A 8 -8.145 -11.631 -12.731 1.00 4.02 C ATOM 120 O HIS A 8 -7.778 -11.365 -11.587 1.00 64.31 O ATOM 121 CB HIS A 8 -10.326 -12.656 -13.376 1.00 33.11 C ATOM 122 CG HIS A 8 -11.813 -12.506 -13.370 1.00 25.30 C ATOM 123 ND1 HIS A 8 -12.571 -12.424 -14.519 1.00 72.24 N ATOM 124 CD2 HIS A 8 -12.686 -12.447 -12.341 1.00 43.24 C ATOM 125 CE1 HIS A 8 -13.845 -12.320 -14.194 1.00 50.53 C ATOM 126 NE2 HIS A 8 -13.942 -12.331 -12.879 1.00 1.11 N ATOM 0 H HIS A 8 -9.474 -11.104 -15.244 1.00 2.53 H new ATOM 0 HA HIS A 8 -10.088 -10.777 -12.397 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -10.019 -13.095 -14.325 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -10.039 -13.357 -12.593 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -12.440 -12.484 -11.290 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -14.669 -12.239 -14.887 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -14.810 -12.264 -12.348 1.00 1.11 H new ATOM 135 N SER A 9 -7.351 -12.144 -13.673 1.00 33.30 N ATOM 136 CA SER A 9 -5.943 -12.463 -13.443 1.00 71.42 C ATOM 137 C SER A 9 -5.780 -13.567 -12.398 1.00 35.13 C ATOM 138 O SER A 9 -6.128 -13.395 -11.228 1.00 23.52 O ATOM 139 CB SER A 9 -5.170 -11.217 -13.009 1.00 35.33 C ATOM 140 OG SER A 9 -5.360 -10.142 -13.922 1.00 11.02 O ATOM 0 H SER A 9 -7.669 -12.350 -14.620 1.00 33.30 H new ATOM 0 HA SER A 9 -5.534 -12.825 -14.386 1.00 71.42 H new ATOM 0 HB2 SER A 9 -5.496 -10.913 -12.014 1.00 35.33 H new ATOM 0 HB3 SER A 9 -4.108 -11.452 -12.938 1.00 35.33 H new ATOM 0 HG SER A 9 -4.671 -10.178 -14.618 1.00 11.02 H new ATOM 146 N HIS A 10 -5.245 -14.698 -12.825 1.00 23.12 N ATOM 147 CA HIS A 10 -5.003 -15.818 -11.929 1.00 0.24 C ATOM 148 C HIS A 10 -3.829 -15.500 -11.017 1.00 5.11 C ATOM 149 O HIS A 10 -2.672 -15.711 -11.382 1.00 1.30 O ATOM 150 CB HIS A 10 -4.732 -17.098 -12.723 1.00 64.40 C ATOM 151 CG HIS A 10 -5.897 -17.541 -13.554 1.00 31.43 C ATOM 152 ND1 HIS A 10 -6.072 -17.174 -14.872 1.00 33.05 N ATOM 153 CD2 HIS A 10 -6.959 -18.318 -13.240 1.00 14.51 C ATOM 154 CE1 HIS A 10 -7.192 -17.701 -15.329 1.00 55.01 C ATOM 155 NE2 HIS A 10 -7.748 -18.401 -14.358 1.00 15.41 N ATOM 0 H HIS A 10 -4.968 -14.866 -13.792 1.00 23.12 H new ATOM 0 HA HIS A 10 -5.893 -15.980 -11.321 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -3.872 -16.938 -13.373 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -4.465 -17.896 -12.031 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -7.150 -18.786 -12.286 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -7.586 -17.580 -16.327 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.623 -18.920 -14.428 1.00 15.41 H new ATOM 164 N GLY A 11 -4.145 -14.968 -9.845 1.00 45.01 N ATOM 165 CA GLY A 11 -3.126 -14.527 -8.915 1.00 43.23 C ATOM 166 C GLY A 11 -2.312 -15.667 -8.350 1.00 4.23 C ATOM 167 O GLY A 11 -2.793 -16.426 -7.505 1.00 12.15 O ATOM 0 H GLY A 11 -5.102 -14.833 -9.519 1.00 45.01 H new ATOM 0 HA2 GLY A 11 -2.460 -13.827 -9.419 1.00 43.23 H new ATOM 0 HA3 GLY A 11 -3.599 -13.984 -8.096 1.00 43.23 H new ATOM 171 N ASP A 12 -1.089 -15.800 -8.832 1.00 61.32 N ATOM 172 CA ASP A 12 -0.171 -16.808 -8.324 1.00 3.44 C ATOM 173 C ASP A 12 0.834 -16.152 -7.384 1.00 10.11 C ATOM 174 O ASP A 12 1.245 -16.732 -6.378 1.00 73.51 O ATOM 175 CB ASP A 12 0.546 -17.502 -9.487 1.00 23.15 C ATOM 176 CG ASP A 12 1.508 -18.580 -9.033 1.00 71.03 C ATOM 177 OD1 ASP A 12 1.045 -19.635 -8.550 1.00 74.44 O ATOM 178 OD2 ASP A 12 2.733 -18.385 -9.164 1.00 2.10 O ATOM 0 H ASP A 12 -0.706 -15.220 -9.578 1.00 61.32 H new ATOM 0 HA ASP A 12 -0.730 -17.563 -7.771 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -0.196 -17.943 -10.153 1.00 23.15 H new ATOM 0 HB3 ASP A 12 1.091 -16.757 -10.066 1.00 23.15 H new ATOM 183 N ASP A 13 1.203 -14.923 -7.719 1.00 14.12 N ATOM 184 CA ASP A 13 2.109 -14.131 -6.897 1.00 15.41 C ATOM 185 C ASP A 13 1.773 -12.644 -7.021 1.00 10.13 C ATOM 186 O ASP A 13 2.296 -11.932 -7.878 1.00 22.52 O ATOM 187 CB ASP A 13 3.577 -14.405 -7.274 1.00 43.13 C ATOM 188 CG ASP A 13 3.948 -13.980 -8.687 1.00 50.02 C ATOM 189 OD1 ASP A 13 3.288 -14.427 -9.652 1.00 23.44 O ATOM 190 OD2 ASP A 13 4.909 -13.197 -8.843 1.00 53.44 O ATOM 0 H ASP A 13 0.885 -14.448 -8.564 1.00 14.12 H new ATOM 0 HA ASP A 13 1.978 -14.425 -5.855 1.00 15.41 H new ATOM 0 HB2 ASP A 13 4.225 -13.885 -6.568 1.00 43.13 H new ATOM 0 HB3 ASP A 13 3.776 -15.471 -7.163 1.00 43.13 H new ATOM 195 N SER A 14 0.861 -12.184 -6.178 1.00 4.42 N ATOM 196 CA SER A 14 0.418 -10.798 -6.219 1.00 10.31 C ATOM 197 C SER A 14 -0.433 -10.470 -4.999 1.00 22.54 C ATOM 198 O SER A 14 -1.331 -11.235 -4.641 1.00 73.02 O ATOM 199 CB SER A 14 -0.381 -10.539 -7.504 1.00 55.45 C ATOM 200 OG SER A 14 -1.466 -11.445 -7.627 1.00 33.02 O ATOM 0 H SER A 14 0.413 -12.750 -5.457 1.00 4.42 H new ATOM 0 HA SER A 14 1.297 -10.154 -6.210 1.00 10.31 H new ATOM 0 HB2 SER A 14 -0.757 -9.516 -7.501 1.00 55.45 H new ATOM 0 HB3 SER A 14 0.276 -10.635 -8.369 1.00 55.45 H new ATOM 0 HG SER A 14 -1.791 -11.689 -6.735 1.00 33.02 H new ATOM 206 N VAL A 15 -0.145 -9.344 -4.362 1.00 21.01 N ATOM 207 CA VAL A 15 -0.917 -8.907 -3.207 1.00 63.02 C ATOM 208 C VAL A 15 -1.534 -7.532 -3.448 1.00 5.31 C ATOM 209 O VAL A 15 -0.876 -6.621 -3.953 1.00 32.33 O ATOM 210 CB VAL A 15 -0.063 -8.876 -1.918 1.00 60.24 C ATOM 211 CG1 VAL A 15 0.320 -10.287 -1.502 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.187 -8.027 -2.108 1.00 33.24 C ATOM 0 H VAL A 15 0.616 -8.717 -4.624 1.00 21.01 H new ATOM 0 HA VAL A 15 -1.714 -9.637 -3.069 1.00 63.02 H new ATOM 0 HB VAL A 15 -0.664 -8.425 -1.128 1.00 60.24 H new ATOM 0 HG11 VAL A 15 0.921 -10.248 -0.593 1.00 21.35 H new ATOM 0 HG12 VAL A 15 -0.583 -10.869 -1.316 1.00 21.35 H new ATOM 0 HG13 VAL A 15 0.897 -10.757 -2.298 1.00 21.35 H new ATOM 0 HG21 VAL A 15 1.768 -8.023 -1.186 1.00 33.24 H new ATOM 0 HG22 VAL A 15 1.790 -8.443 -2.915 1.00 33.24 H new ATOM 0 HG23 VAL A 15 0.899 -7.006 -2.359 1.00 33.24 H new ATOM 222 N HIS A 16 -2.806 -7.394 -3.109 1.00 64.34 N ATOM 223 CA HIS A 16 -3.509 -6.132 -3.279 1.00 21.13 C ATOM 224 C HIS A 16 -3.298 -5.218 -2.086 1.00 72.32 C ATOM 225 O HIS A 16 -3.845 -5.456 -1.009 1.00 11.31 O ATOM 226 CB HIS A 16 -5.011 -6.360 -3.477 1.00 43.40 C ATOM 227 CG HIS A 16 -5.435 -6.421 -4.908 1.00 53.34 C ATOM 228 ND1 HIS A 16 -6.302 -7.369 -5.399 1.00 11.31 N ATOM 229 CD2 HIS A 16 -5.137 -5.614 -5.949 1.00 71.35 C ATOM 230 CE1 HIS A 16 -6.519 -7.142 -6.679 1.00 61.32 C ATOM 231 NE2 HIS A 16 -5.825 -6.077 -7.042 1.00 23.43 N ATOM 0 H HIS A 16 -3.374 -8.143 -2.713 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.097 -5.656 -4.169 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -5.294 -7.291 -2.985 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.558 -5.558 -2.981 1.00 43.40 H new ATOM 0 HD2 HIS A 16 -4.477 -4.759 -5.925 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -7.157 -7.728 -7.324 1.00 61.32 H new ATOM 0 HE2 HIS A 16 -5.804 -5.669 -7.976 1.00 23.43 H new ATOM 240 N LEU A 17 -2.502 -4.179 -2.271 1.00 3.22 N ATOM 241 CA LEU A 17 -2.373 -3.148 -1.259 1.00 34.42 C ATOM 242 C LEU A 17 -3.461 -2.114 -1.481 1.00 33.24 C ATOM 243 O LEU A 17 -3.356 -1.265 -2.367 1.00 31.41 O ATOM 244 CB LEU A 17 -0.988 -2.496 -1.296 1.00 64.34 C ATOM 245 CG LEU A 17 0.178 -3.423 -0.938 1.00 62.52 C ATOM 246 CD1 LEU A 17 1.491 -2.662 -0.980 1.00 22.21 C ATOM 247 CD2 LEU A 17 -0.033 -4.037 0.438 1.00 64.34 C ATOM 0 H LEU A 17 -1.939 -4.028 -3.108 1.00 3.22 H new ATOM 0 HA LEU A 17 -2.485 -3.598 -0.273 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -0.819 -2.095 -2.295 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -0.983 -1.650 -0.608 1.00 64.34 H new ATOM 0 HG LEU A 17 0.218 -4.227 -1.673 1.00 62.52 H new ATOM 0 HD11 LEU A 17 2.310 -3.334 -0.723 1.00 22.21 H new ATOM 0 HD12 LEU A 17 1.649 -2.264 -1.982 1.00 22.21 H new ATOM 0 HD13 LEU A 17 1.458 -1.840 -0.264 1.00 22.21 H new ATOM 0 HD21 LEU A 17 0.805 -4.693 0.676 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -0.097 -3.245 1.184 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -0.958 -4.614 0.441 1.00 64.34 H new ATOM 259 N HIS A 18 -4.523 -2.217 -0.695 1.00 54.23 N ATOM 260 CA HIS A 18 -5.707 -1.398 -0.898 1.00 12.43 C ATOM 261 C HIS A 18 -5.465 0.016 -0.391 1.00 74.21 C ATOM 262 O HIS A 18 -5.503 0.268 0.810 1.00 75.44 O ATOM 263 CB HIS A 18 -6.923 -2.021 -0.200 1.00 1.35 C ATOM 264 CG HIS A 18 -7.190 -3.444 -0.597 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.034 -3.799 -1.624 1.00 34.12 N ATOM 266 CD2 HIS A 18 -6.700 -4.607 -0.102 1.00 2.05 C ATOM 267 CE1 HIS A 18 -8.050 -5.113 -1.746 1.00 52.22 C ATOM 268 NE2 HIS A 18 -7.247 -5.628 -0.834 1.00 62.13 N ATOM 0 H HIS A 18 -4.588 -2.863 0.092 1.00 54.23 H new ATOM 0 HA HIS A 18 -5.915 -1.352 -1.967 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -6.772 -1.977 0.879 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -7.805 -1.420 -0.423 1.00 1.35 H new ATOM 0 HD2 HIS A 18 -6.006 -4.710 0.719 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -8.624 -5.673 -2.470 1.00 52.22 H new ATOM 0 HE2 HIS A 18 -7.064 -6.622 -0.697 1.00 62.13 H new ATOM 277 N ILE A 19 -5.190 0.924 -1.313 1.00 35.15 N ATOM 278 CA ILE A 19 -4.873 2.301 -0.966 1.00 53.04 C ATOM 279 C ILE A 19 -6.148 3.132 -0.844 1.00 11.31 C ATOM 280 O ILE A 19 -7.054 3.018 -1.669 1.00 70.44 O ATOM 281 CB ILE A 19 -3.950 2.939 -2.028 1.00 30.50 C ATOM 282 CG1 ILE A 19 -2.715 2.060 -2.259 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.536 4.346 -1.604 1.00 43.14 C ATOM 284 CD1 ILE A 19 -1.805 2.559 -3.361 1.00 43.34 C ATOM 0 H ILE A 19 -5.180 0.731 -2.314 1.00 35.15 H new ATOM 0 HA ILE A 19 -4.356 2.289 -0.006 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.501 3.013 -2.965 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -2.146 1.999 -1.331 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -3.041 1.048 -2.501 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -2.886 4.779 -2.365 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.424 4.967 -1.489 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -3.002 4.298 -0.655 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -0.955 1.885 -3.464 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -2.357 2.594 -4.301 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.448 3.558 -3.113 1.00 43.34 H new ATOM 296 N THR A 20 -6.217 3.953 0.195 1.00 23.35 N ATOM 297 CA THR A 20 -7.342 4.854 0.391 1.00 41.50 C ATOM 298 C THR A 20 -6.847 6.203 0.911 1.00 54.53 C ATOM 299 O THR A 20 -5.914 6.262 1.714 1.00 22.33 O ATOM 300 CB THR A 20 -8.361 4.263 1.386 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.656 2.905 1.038 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.650 5.072 1.399 1.00 31.22 C ATOM 0 H THR A 20 -5.501 4.013 0.919 1.00 23.35 H new ATOM 0 HA THR A 20 -7.836 4.990 -0.571 1.00 41.50 H new ATOM 0 HB THR A 20 -7.918 4.300 2.381 1.00 41.20 H new ATOM 0 HG1 THR A 20 -9.303 2.537 1.676 1.00 3.43 H new ATOM 0 HG21 THR A 20 -10.349 4.631 2.110 1.00 31.22 H new ATOM 0 HG22 THR A 20 -9.432 6.099 1.693 1.00 31.22 H new ATOM 0 HG23 THR A 20 -10.093 5.066 0.403 1.00 31.22 H new ATOM 310 N HIS A 21 -7.464 7.282 0.454 1.00 60.00 N ATOM 311 CA HIS A 21 -7.052 8.620 0.853 1.00 53.44 C ATOM 312 C HIS A 21 -7.871 9.069 2.058 1.00 3.33 C ATOM 313 O HIS A 21 -8.997 8.619 2.243 1.00 50.01 O ATOM 314 CB HIS A 21 -7.235 9.593 -0.315 1.00 33.01 C ATOM 315 CG HIS A 21 -6.277 10.746 -0.298 1.00 2.43 C ATOM 316 ND1 HIS A 21 -4.951 10.781 -0.026 1.00 11.24 N flip ATOM 317 CD2 HIS A 21 -6.632 12.038 -0.618 1.00 2.41 C flip ATOM 318 CE1 HIS A 21 -4.533 12.073 -0.189 1.00 12.55 C flip ATOM 319 NE2 HIS A 21 -5.564 12.810 -0.546 1.00 2.25 N flip ATOM 0 H HIS A 21 -8.252 7.258 -0.193 1.00 60.00 H new ATOM 0 HA HIS A 21 -5.998 8.608 1.130 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -7.117 9.048 -1.252 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -8.254 9.979 -0.298 1.00 33.01 H new ATOM 0 HD2 HIS A 21 -7.626 12.367 -0.885 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -3.523 12.430 -0.048 1.00 12.55 H new ATOM 0 HE2 HIS A 21 -5.541 13.812 -0.736 1.00 2.25 H new ATOM 328 N ALA A 22 -7.303 9.933 2.888 1.00 22.31 N ATOM 329 CA ALA A 22 -8.005 10.410 4.074 1.00 61.45 C ATOM 330 C ALA A 22 -9.126 11.370 3.703 1.00 51.41 C ATOM 331 O ALA A 22 -10.278 11.174 4.088 1.00 24.14 O ATOM 332 CB ALA A 22 -7.041 11.077 5.042 1.00 42.22 C ATOM 0 H ALA A 22 -6.366 10.316 2.765 1.00 22.31 H new ATOM 0 HA ALA A 22 -8.447 9.543 4.565 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -7.588 11.425 5.919 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -6.280 10.360 5.350 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -6.563 11.926 4.553 1.00 42.22 H new ATOM 338 N ASN A 23 -8.785 12.406 2.948 1.00 43.42 N ATOM 339 CA ASN A 23 -9.761 13.418 2.555 1.00 4.22 C ATOM 340 C ASN A 23 -10.689 12.897 1.452 1.00 24.23 C ATOM 341 O ASN A 23 -11.749 13.475 1.192 1.00 45.42 O ATOM 342 CB ASN A 23 -9.038 14.696 2.112 1.00 54.21 C ATOM 343 CG ASN A 23 -9.984 15.856 1.860 1.00 72.21 C ATOM 344 OD1 ASN A 23 -10.384 16.113 0.721 1.00 53.25 O ATOM 345 ND2 ASN A 23 -10.353 16.557 2.922 1.00 73.04 N ATOM 0 H ASN A 23 -7.842 12.569 2.595 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.385 13.651 3.418 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -8.317 14.982 2.877 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -8.473 14.491 1.203 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -10.993 17.345 2.816 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -9.998 16.309 3.845 1.00 73.04 H new ATOM 352 N LEU A 24 -10.301 11.793 0.823 1.00 15.41 N ATOM 353 CA LEU A 24 -11.111 11.183 -0.226 1.00 0.50 C ATOM 354 C LEU A 24 -11.486 9.753 0.153 1.00 62.32 C ATOM 355 O LEU A 24 -10.679 8.832 0.020 1.00 62.23 O ATOM 356 CB LEU A 24 -10.370 11.199 -1.567 1.00 50.25 C ATOM 357 CG LEU A 24 -11.182 10.700 -2.766 1.00 63.42 C ATOM 358 CD1 LEU A 24 -12.407 11.575 -2.983 1.00 70.44 C ATOM 359 CD2 LEU A 24 -10.315 10.673 -4.013 1.00 24.12 C ATOM 0 H LEU A 24 -9.430 11.301 1.021 1.00 15.41 H new ATOM 0 HA LEU A 24 -12.024 11.768 -0.332 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -10.041 12.218 -1.770 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -9.473 10.587 -1.476 1.00 50.25 H new ATOM 0 HG LEU A 24 -11.521 9.685 -2.558 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -12.971 11.205 -3.839 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -13.037 11.547 -2.094 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -12.092 12.601 -3.172 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -10.904 10.316 -4.858 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -9.949 11.678 -4.224 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -9.469 10.005 -3.853 1.00 24.12 H new ATOM 371 N LYS A 25 -12.712 9.587 0.633 1.00 53.45 N ATOM 372 CA LYS A 25 -13.206 8.289 1.079 1.00 2.12 C ATOM 373 C LYS A 25 -13.356 7.328 -0.097 1.00 72.15 C ATOM 374 O LYS A 25 -12.963 6.165 -0.018 1.00 11.55 O ATOM 375 CB LYS A 25 -14.549 8.460 1.800 1.00 30.44 C ATOM 376 CG LYS A 25 -15.171 7.155 2.284 1.00 32.12 C ATOM 377 CD LYS A 25 -14.319 6.472 3.341 1.00 72.14 C ATOM 378 CE LYS A 25 -14.997 5.214 3.854 1.00 33.32 C ATOM 379 NZ LYS A 25 -14.233 4.569 4.955 1.00 2.24 N ATOM 0 H LYS A 25 -13.390 10.344 0.724 1.00 53.45 H new ATOM 0 HA LYS A 25 -12.480 7.864 1.772 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -14.408 9.121 2.655 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -15.249 8.955 1.127 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -16.162 7.356 2.692 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -15.305 6.482 1.437 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -13.345 6.220 2.921 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -14.141 7.158 4.169 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -15.998 5.462 4.206 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -15.114 4.507 3.033 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -14.735 3.715 5.272 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -13.286 4.307 4.614 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -14.143 5.233 5.750 1.00 2.24 H new ATOM 393 N SER A 26 -13.927 7.819 -1.187 1.00 73.01 N ATOM 394 CA SER A 26 -14.101 7.004 -2.374 1.00 75.14 C ATOM 395 C SER A 26 -12.847 7.073 -3.237 1.00 54.31 C ATOM 396 O SER A 26 -12.701 7.965 -4.075 1.00 32.04 O ATOM 397 CB SER A 26 -15.334 7.456 -3.164 1.00 20.11 C ATOM 398 OG SER A 26 -15.520 6.669 -4.333 1.00 11.21 O ATOM 0 H SER A 26 -14.275 8.774 -1.272 1.00 73.01 H new ATOM 0 HA SER A 26 -14.260 5.969 -2.072 1.00 75.14 H new ATOM 0 HB2 SER A 26 -16.219 7.385 -2.532 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.225 8.504 -3.443 1.00 20.11 H new ATOM 0 HG SER A 26 -16.315 6.981 -4.814 1.00 11.21 H new ATOM 404 N PHE A 27 -11.930 6.152 -2.995 1.00 62.03 N ATOM 405 CA PHE A 27 -10.686 6.097 -3.742 1.00 51.01 C ATOM 406 C PHE A 27 -10.400 4.667 -4.182 1.00 73.42 C ATOM 407 O PHE A 27 -9.865 3.867 -3.419 1.00 51.45 O ATOM 408 CB PHE A 27 -9.537 6.641 -2.883 1.00 21.01 C ATOM 409 CG PHE A 27 -8.225 6.759 -3.607 1.00 71.23 C ATOM 410 CD1 PHE A 27 -7.999 7.802 -4.488 1.00 74.22 C ATOM 411 CD2 PHE A 27 -7.214 5.835 -3.396 1.00 10.41 C ATOM 412 CE1 PHE A 27 -6.793 7.921 -5.149 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.007 5.946 -4.056 1.00 64.15 C ATOM 414 CZ PHE A 27 -5.795 6.993 -4.932 1.00 70.11 C ATOM 0 H PHE A 27 -12.025 5.428 -2.283 1.00 62.03 H new ATOM 0 HA PHE A 27 -10.777 6.717 -4.634 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -9.818 7.623 -2.501 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -9.405 5.989 -2.019 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -8.776 8.532 -4.661 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -7.372 5.019 -2.707 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -6.631 8.739 -5.835 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.229 5.216 -3.888 1.00 64.15 H new ATOM 0 HZ PHE A 27 -4.850 7.085 -5.446 1.00 70.11 H new ATOM 424 N SER A 28 -10.790 4.339 -5.404 1.00 43.10 N ATOM 425 CA SER A 28 -10.570 3.003 -5.934 1.00 24.32 C ATOM 426 C SER A 28 -9.402 3.005 -6.913 1.00 20.43 C ATOM 427 O SER A 28 -9.583 3.180 -8.120 1.00 42.51 O ATOM 428 CB SER A 28 -11.841 2.482 -6.609 1.00 54.25 C ATOM 429 OG SER A 28 -12.933 2.485 -5.702 1.00 31.44 O ATOM 0 H SER A 28 -11.259 4.978 -6.046 1.00 43.10 H new ATOM 0 HA SER A 28 -10.322 2.337 -5.108 1.00 24.32 H new ATOM 0 HB2 SER A 28 -12.079 3.102 -7.473 1.00 54.25 H new ATOM 0 HB3 SER A 28 -11.673 1.471 -6.979 1.00 54.25 H new ATOM 0 HG SER A 28 -13.735 2.150 -6.155 1.00 31.44 H new ATOM 435 N ALA A 29 -8.202 2.838 -6.382 1.00 2.13 N ATOM 436 CA ALA A 29 -7.001 2.861 -7.202 1.00 21.42 C ATOM 437 C ALA A 29 -5.917 1.975 -6.611 1.00 0.31 C ATOM 438 O ALA A 29 -4.724 2.254 -6.760 1.00 13.01 O ATOM 439 CB ALA A 29 -6.495 4.287 -7.351 1.00 3.22 C ATOM 0 H ALA A 29 -8.033 2.685 -5.388 1.00 2.13 H new ATOM 0 HA ALA A 29 -7.255 2.470 -8.187 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -5.596 4.291 -7.967 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -7.263 4.898 -7.826 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -6.263 4.695 -6.367 1.00 3.22 H new ATOM 445 N ASP A 30 -6.330 0.896 -5.957 1.00 31.13 N ATOM 446 CA ASP A 30 -5.384 -0.032 -5.357 1.00 1.43 C ATOM 447 C ASP A 30 -4.785 -0.926 -6.429 1.00 12.41 C ATOM 448 O ASP A 30 -5.380 -1.131 -7.492 1.00 71.02 O ATOM 449 CB ASP A 30 -6.051 -0.882 -4.267 1.00 63.31 C ATOM 450 CG ASP A 30 -7.054 -1.881 -4.808 1.00 24.24 C ATOM 451 OD1 ASP A 30 -8.236 -1.516 -4.962 1.00 74.31 O ATOM 452 OD2 ASP A 30 -6.667 -3.043 -5.051 1.00 53.34 O ATOM 0 H ASP A 30 -7.310 0.644 -5.830 1.00 31.13 H new ATOM 0 HA ASP A 30 -4.590 0.548 -4.888 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -5.280 -1.417 -3.712 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -6.553 -0.222 -3.559 1.00 63.31 H new ATOM 457 N ALA A 31 -3.606 -1.449 -6.157 1.00 75.45 N ATOM 458 CA ALA A 31 -2.896 -2.248 -7.134 1.00 40.31 C ATOM 459 C ALA A 31 -2.271 -3.471 -6.490 1.00 54.43 C ATOM 460 O ALA A 31 -2.073 -3.519 -5.273 1.00 63.41 O ATOM 461 CB ALA A 31 -1.828 -1.408 -7.819 1.00 14.23 C ATOM 0 H ALA A 31 -3.120 -1.335 -5.268 1.00 75.45 H new ATOM 0 HA ALA A 31 -3.613 -2.590 -7.880 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.300 -2.018 -8.552 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -2.297 -0.562 -8.322 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -1.121 -1.041 -7.075 1.00 14.23 H new ATOM 467 N ARG A 32 -1.986 -4.469 -7.308 1.00 30.40 N ATOM 468 CA ARG A 32 -1.271 -5.643 -6.850 1.00 51.03 C ATOM 469 C ARG A 32 0.230 -5.423 -7.017 1.00 22.13 C ATOM 470 O ARG A 32 0.746 -5.381 -8.134 1.00 40.03 O ATOM 471 CB ARG A 32 -1.739 -6.894 -7.604 1.00 1.31 C ATOM 472 CG ARG A 32 -1.681 -6.768 -9.116 1.00 33.23 C ATOM 473 CD ARG A 32 -2.260 -7.998 -9.793 1.00 52.33 C ATOM 474 NE ARG A 32 -2.208 -7.901 -11.251 1.00 15.15 N ATOM 475 CZ ARG A 32 -3.222 -8.215 -12.050 1.00 55.33 C ATOM 476 NH1 ARG A 32 -4.383 -8.606 -11.540 1.00 14.24 N ATOM 477 NH2 ARG A 32 -3.078 -8.128 -13.367 1.00 5.05 N ATOM 0 H ARG A 32 -2.241 -4.488 -8.296 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.484 -5.803 -5.793 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -1.124 -7.740 -7.297 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.763 -7.120 -7.309 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -2.233 -5.883 -9.431 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.647 -6.628 -9.432 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -1.710 -8.882 -9.469 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -3.294 -8.132 -9.476 1.00 52.33 H new ATOM 0 HE ARG A 32 -1.343 -7.573 -11.680 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -4.501 -8.667 -10.529 1.00 14.24 H new ATOM 0 HH12 ARG A 32 -5.157 -8.846 -12.159 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -2.190 -7.821 -13.764 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -3.855 -8.369 -13.982 1.00 5.05 H new ATOM 491 N PHE A 33 0.920 -5.249 -5.904 1.00 50.41 N ATOM 492 CA PHE A 33 2.334 -4.913 -5.932 1.00 23.33 C ATOM 493 C PHE A 33 3.199 -6.149 -5.729 1.00 22.22 C ATOM 494 O PHE A 33 2.730 -7.177 -5.233 1.00 30.14 O ATOM 495 CB PHE A 33 2.660 -3.873 -4.856 1.00 73.21 C ATOM 496 CG PHE A 33 2.008 -2.535 -5.080 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.608 -1.588 -5.894 1.00 42.12 C ATOM 498 CD2 PHE A 33 0.805 -2.223 -4.470 1.00 60.13 C ATOM 499 CE1 PHE A 33 2.020 -0.355 -6.096 1.00 73.02 C ATOM 500 CE2 PHE A 33 0.209 -0.991 -4.670 1.00 63.24 C ATOM 501 CZ PHE A 33 0.818 -0.056 -5.483 1.00 15.44 C ATOM 0 H PHE A 33 0.524 -5.335 -4.968 1.00 50.41 H new ATOM 0 HA PHE A 33 2.554 -4.495 -6.914 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.349 -4.259 -3.886 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.741 -3.736 -4.813 1.00 73.21 H new ATOM 0 HD1 PHE A 33 3.547 -1.817 -6.376 1.00 42.12 H new ATOM 0 HD2 PHE A 33 0.326 -2.950 -3.831 1.00 60.13 H new ATOM 0 HE1 PHE A 33 2.499 0.375 -6.732 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -0.731 -0.761 -4.191 1.00 63.24 H new ATOM 0 HZ PHE A 33 0.356 0.907 -5.640 1.00 15.44 H new ATOM 511 N SER A 34 4.456 -6.037 -6.131 1.00 22.11 N ATOM 512 CA SER A 34 5.434 -7.088 -5.911 1.00 50.41 C ATOM 513 C SER A 34 5.972 -6.997 -4.485 1.00 34.14 C ATOM 514 O SER A 34 6.565 -5.987 -4.101 1.00 72.42 O ATOM 515 CB SER A 34 6.573 -6.949 -6.924 1.00 33.20 C ATOM 516 OG SER A 34 6.065 -6.887 -8.248 1.00 72.21 O ATOM 0 H SER A 34 4.824 -5.219 -6.616 1.00 22.11 H new ATOM 0 HA SER A 34 4.963 -8.062 -6.045 1.00 50.41 H new ATOM 0 HB2 SER A 34 7.150 -6.050 -6.708 1.00 33.20 H new ATOM 0 HB3 SER A 34 7.254 -7.795 -6.830 1.00 33.20 H new ATOM 0 HG SER A 34 6.809 -6.797 -8.880 1.00 72.21 H new ATOM 522 N PRO A 35 5.763 -8.051 -3.679 1.00 10.21 N ATOM 523 CA PRO A 35 6.112 -8.050 -2.251 1.00 33.11 C ATOM 524 C PRO A 35 7.606 -7.848 -1.974 1.00 13.13 C ATOM 525 O PRO A 35 7.982 -7.449 -0.874 1.00 51.42 O ATOM 526 CB PRO A 35 5.658 -9.432 -1.762 1.00 24.12 C ATOM 527 CG PRO A 35 5.540 -10.268 -2.989 1.00 44.44 C ATOM 528 CD PRO A 35 5.158 -9.329 -4.095 1.00 4.33 C ATOM 0 HA PRO A 35 5.633 -7.215 -1.739 1.00 33.11 H new ATOM 0 HB2 PRO A 35 6.379 -9.858 -1.064 1.00 24.12 H new ATOM 0 HB3 PRO A 35 4.705 -9.369 -1.237 1.00 24.12 H new ATOM 0 HG2 PRO A 35 6.482 -10.770 -3.211 1.00 44.44 H new ATOM 0 HG3 PRO A 35 4.787 -11.046 -2.860 1.00 44.44 H new ATOM 0 HD2 PRO A 35 5.545 -9.663 -5.058 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.076 -9.247 -4.198 1.00 4.33 H new ATOM 536 N GLN A 36 8.463 -8.099 -2.960 1.00 2.12 N ATOM 537 CA GLN A 36 9.909 -7.975 -2.753 1.00 31.42 C ATOM 538 C GLN A 36 10.347 -6.513 -2.618 1.00 44.25 C ATOM 539 O GLN A 36 11.535 -6.224 -2.467 1.00 4.23 O ATOM 540 CB GLN A 36 10.692 -8.666 -3.872 1.00 13.50 C ATOM 541 CG GLN A 36 10.590 -10.181 -3.825 1.00 63.32 C ATOM 542 CD GLN A 36 11.406 -10.860 -4.907 1.00 52.41 C ATOM 543 OE1 GLN A 36 12.580 -11.178 -4.712 1.00 62.15 O ATOM 544 NE2 GLN A 36 10.791 -11.092 -6.053 1.00 14.42 N ATOM 0 H GLN A 36 8.190 -8.386 -3.900 1.00 2.12 H new ATOM 0 HA GLN A 36 10.136 -8.477 -1.812 1.00 31.42 H new ATOM 0 HB2 GLN A 36 10.324 -8.313 -4.836 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.741 -8.376 -3.805 1.00 13.50 H new ATOM 0 HG2 GLN A 36 10.925 -10.533 -2.849 1.00 63.32 H new ATOM 0 HG3 GLN A 36 9.545 -10.473 -3.927 1.00 63.32 H new ATOM 0 HE21 GLN A 36 9.817 -10.813 -6.175 1.00 14.42 H new ATOM 0 HE22 GLN A 36 11.290 -11.550 -6.816 1.00 14.42 H new ATOM 553 N MET A 37 9.388 -5.599 -2.665 1.00 31.44 N ATOM 554 CA MET A 37 9.661 -4.192 -2.415 1.00 73.02 C ATOM 555 C MET A 37 9.309 -3.849 -0.970 1.00 34.53 C ATOM 556 O MET A 37 8.266 -4.267 -0.465 1.00 53.23 O ATOM 557 CB MET A 37 8.861 -3.304 -3.375 1.00 74.13 C ATOM 558 CG MET A 37 9.199 -1.824 -3.255 1.00 71.55 C ATOM 559 SD MET A 37 8.251 -0.793 -4.394 1.00 14.42 S ATOM 560 CE MET A 37 6.583 -1.091 -3.809 1.00 65.20 C ATOM 0 H MET A 37 8.412 -5.808 -2.875 1.00 31.44 H new ATOM 0 HA MET A 37 10.722 -4.008 -2.583 1.00 73.02 H new ATOM 0 HB2 MET A 37 9.046 -3.629 -4.399 1.00 74.13 H new ATOM 0 HB3 MET A 37 7.797 -3.442 -3.184 1.00 74.13 H new ATOM 0 HG2 MET A 37 9.011 -1.495 -2.233 1.00 71.55 H new ATOM 0 HG3 MET A 37 10.263 -1.683 -3.445 1.00 71.55 H new ATOM 0 HE1 MET A 37 5.933 -0.279 -4.134 1.00 65.20 H new ATOM 0 HE2 MET A 37 6.218 -2.034 -4.216 1.00 65.20 H new ATOM 0 HE3 MET A 37 6.583 -1.142 -2.720 1.00 65.20 H new ATOM 570 N SER A 38 10.188 -3.117 -0.302 1.00 65.35 N ATOM 571 CA SER A 38 9.951 -2.712 1.074 1.00 54.10 C ATOM 572 C SER A 38 9.077 -1.459 1.129 1.00 12.34 C ATOM 573 O SER A 38 9.088 -0.636 0.206 1.00 42.15 O ATOM 574 CB SER A 38 11.285 -2.462 1.786 1.00 12.31 C ATOM 575 OG SER A 38 12.073 -1.507 1.095 1.00 34.14 O ATOM 0 H SER A 38 11.073 -2.791 -0.692 1.00 65.35 H new ATOM 0 HA SER A 38 9.423 -3.518 1.584 1.00 54.10 H new ATOM 0 HB2 SER A 38 11.097 -2.113 2.801 1.00 12.31 H new ATOM 0 HB3 SER A 38 11.836 -3.399 1.868 1.00 12.31 H new ATOM 0 HG SER A 38 12.916 -1.369 1.576 1.00 34.14 H new ATOM 581 N VAL A 39 8.320 -1.313 2.212 1.00 20.43 N ATOM 582 CA VAL A 39 7.482 -0.134 2.405 1.00 45.32 C ATOM 583 C VAL A 39 8.358 1.092 2.644 1.00 10.11 C ATOM 584 O VAL A 39 7.988 2.216 2.310 1.00 64.02 O ATOM 585 CB VAL A 39 6.507 -0.322 3.588 1.00 20.13 C ATOM 586 CG1 VAL A 39 5.568 0.870 3.721 1.00 63.52 C ATOM 587 CG2 VAL A 39 5.715 -1.610 3.424 1.00 63.45 C ATOM 0 H VAL A 39 8.269 -1.995 2.969 1.00 20.43 H new ATOM 0 HA VAL A 39 6.890 0.010 1.501 1.00 45.32 H new ATOM 0 HB VAL A 39 7.096 -0.389 4.503 1.00 20.13 H new ATOM 0 HG11 VAL A 39 4.893 0.710 4.562 1.00 63.52 H new ATOM 0 HG12 VAL A 39 6.151 1.775 3.891 1.00 63.52 H new ATOM 0 HG13 VAL A 39 4.987 0.979 2.805 1.00 63.52 H new ATOM 0 HG21 VAL A 39 5.033 -1.727 4.266 1.00 63.45 H new ATOM 0 HG22 VAL A 39 5.144 -1.570 2.497 1.00 63.45 H new ATOM 0 HG23 VAL A 39 6.400 -2.457 3.392 1.00 63.45 H new ATOM 597 N GLU A 40 9.530 0.862 3.217 1.00 23.22 N ATOM 598 CA GLU A 40 10.504 1.926 3.411 1.00 24.11 C ATOM 599 C GLU A 40 10.952 2.492 2.062 1.00 1.32 C ATOM 600 O GLU A 40 11.086 3.708 1.899 1.00 22.10 O ATOM 601 CB GLU A 40 11.711 1.399 4.191 1.00 51.23 C ATOM 602 CG GLU A 40 12.794 2.439 4.423 1.00 45.44 C ATOM 603 CD GLU A 40 13.957 1.891 5.217 1.00 54.10 C ATOM 604 OE1 GLU A 40 14.763 1.131 4.642 1.00 60.42 O ATOM 605 OE2 GLU A 40 14.075 2.220 6.417 1.00 45.12 O ATOM 0 H GLU A 40 9.830 -0.052 3.556 1.00 23.22 H new ATOM 0 HA GLU A 40 10.036 2.726 3.984 1.00 24.11 H new ATOM 0 HB2 GLU A 40 11.371 1.021 5.155 1.00 51.23 H new ATOM 0 HB3 GLU A 40 12.140 0.555 3.651 1.00 51.23 H new ATOM 0 HG2 GLU A 40 13.154 2.805 3.462 1.00 45.44 H new ATOM 0 HG3 GLU A 40 12.368 3.293 4.950 1.00 45.44 H new ATOM 612 N ALA A 41 11.147 1.604 1.090 1.00 13.12 N ATOM 613 CA ALA A 41 11.596 2.003 -0.237 1.00 24.12 C ATOM 614 C ALA A 41 10.564 2.880 -0.934 1.00 41.35 C ATOM 615 O ALA A 41 10.922 3.829 -1.632 1.00 74.42 O ATOM 616 CB ALA A 41 11.903 0.779 -1.088 1.00 23.02 C ATOM 0 H ALA A 41 11.000 0.601 1.199 1.00 13.12 H new ATOM 0 HA ALA A 41 12.508 2.587 -0.114 1.00 24.12 H new ATOM 0 HB1 ALA A 41 12.237 1.097 -2.076 1.00 23.02 H new ATOM 0 HB2 ALA A 41 12.688 0.192 -0.611 1.00 23.02 H new ATOM 0 HB3 ALA A 41 11.004 0.170 -1.187 1.00 23.02 H new ATOM 622 N VAL A 42 9.282 2.578 -0.737 1.00 51.22 N ATOM 623 CA VAL A 42 8.229 3.350 -1.386 1.00 25.41 C ATOM 624 C VAL A 42 8.054 4.709 -0.707 1.00 20.03 C ATOM 625 O VAL A 42 7.711 5.689 -1.364 1.00 21.00 O ATOM 626 CB VAL A 42 6.879 2.586 -1.451 1.00 50.02 C ATOM 627 CG1 VAL A 42 6.233 2.456 -0.080 1.00 31.42 C ATOM 628 CG2 VAL A 42 5.924 3.260 -2.428 1.00 55.34 C ATOM 0 H VAL A 42 8.953 1.817 -0.143 1.00 51.22 H new ATOM 0 HA VAL A 42 8.547 3.512 -2.416 1.00 25.41 H new ATOM 0 HB VAL A 42 7.095 1.579 -1.809 1.00 50.02 H new ATOM 0 HG11 VAL A 42 5.291 1.915 -0.171 1.00 31.42 H new ATOM 0 HG12 VAL A 42 6.901 1.911 0.587 1.00 31.42 H new ATOM 0 HG13 VAL A 42 6.043 3.449 0.328 1.00 31.42 H new ATOM 0 HG21 VAL A 42 4.985 2.708 -2.458 1.00 55.34 H new ATOM 0 HG22 VAL A 42 5.734 4.283 -2.104 1.00 55.34 H new ATOM 0 HG23 VAL A 42 6.370 3.272 -3.423 1.00 55.34 H new ATOM 638 N LYS A 43 8.321 4.776 0.600 1.00 40.41 N ATOM 639 CA LYS A 43 8.315 6.055 1.307 1.00 51.44 C ATOM 640 C LYS A 43 9.372 6.962 0.703 1.00 75.14 C ATOM 641 O LYS A 43 9.103 8.105 0.337 1.00 24.13 O ATOM 642 CB LYS A 43 8.622 5.880 2.797 1.00 5.25 C ATOM 643 CG LYS A 43 7.611 5.057 3.574 1.00 72.22 C ATOM 644 CD LYS A 43 7.937 5.087 5.057 1.00 53.21 C ATOM 645 CE LYS A 43 7.079 4.119 5.849 1.00 73.50 C ATOM 646 NZ LYS A 43 7.384 4.186 7.302 1.00 12.44 N ATOM 0 H LYS A 43 8.541 3.968 1.183 1.00 40.41 H new ATOM 0 HA LYS A 43 7.320 6.488 1.206 1.00 51.44 H new ATOM 0 HB2 LYS A 43 9.601 5.412 2.897 1.00 5.25 H new ATOM 0 HB3 LYS A 43 8.692 6.867 3.255 1.00 5.25 H new ATOM 0 HG2 LYS A 43 6.608 5.449 3.407 1.00 72.22 H new ATOM 0 HG3 LYS A 43 7.616 4.028 3.214 1.00 72.22 H new ATOM 0 HD2 LYS A 43 8.989 4.840 5.202 1.00 53.21 H new ATOM 0 HD3 LYS A 43 7.791 6.097 5.440 1.00 53.21 H new ATOM 0 HE2 LYS A 43 6.026 4.347 5.686 1.00 73.50 H new ATOM 0 HE3 LYS A 43 7.245 3.104 5.488 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 7.772 3.274 7.618 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 8.081 4.938 7.476 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 6.512 4.392 7.831 1.00 12.44 H new ATOM 660 N GLU A 44 10.579 6.421 0.601 1.00 3.40 N ATOM 661 CA GLU A 44 11.709 7.123 0.017 1.00 53.14 C ATOM 662 C GLU A 44 11.394 7.565 -1.410 1.00 31.02 C ATOM 663 O GLU A 44 11.634 8.707 -1.785 1.00 10.50 O ATOM 664 CB GLU A 44 12.926 6.197 0.024 1.00 42.13 C ATOM 665 CG GLU A 44 14.160 6.780 -0.637 1.00 2.44 C ATOM 666 CD GLU A 44 15.211 5.720 -0.880 1.00 21.45 C ATOM 667 OE1 GLU A 44 15.036 4.911 -1.811 1.00 1.51 O ATOM 668 OE2 GLU A 44 16.217 5.684 -0.145 1.00 24.43 O ATOM 0 H GLU A 44 10.800 5.479 0.923 1.00 3.40 H new ATOM 0 HA GLU A 44 11.919 8.015 0.607 1.00 53.14 H new ATOM 0 HB2 GLU A 44 13.167 5.942 1.056 1.00 42.13 H new ATOM 0 HB3 GLU A 44 12.663 5.267 -0.481 1.00 42.13 H new ATOM 0 HG2 GLU A 44 13.883 7.243 -1.584 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.574 7.567 -0.007 1.00 2.44 H new ATOM 675 N LYS A 45 10.825 6.652 -2.186 1.00 51.50 N ATOM 676 CA LYS A 45 10.542 6.901 -3.594 1.00 0.30 C ATOM 677 C LYS A 45 9.535 8.039 -3.769 1.00 13.11 C ATOM 678 O LYS A 45 9.653 8.847 -4.694 1.00 74.23 O ATOM 679 CB LYS A 45 10.029 5.617 -4.246 1.00 15.22 C ATOM 680 CG LYS A 45 9.963 5.668 -5.762 1.00 32.34 C ATOM 681 CD LYS A 45 9.958 4.269 -6.344 1.00 34.31 C ATOM 682 CE LYS A 45 9.973 4.288 -7.862 1.00 74.54 C ATOM 683 NZ LYS A 45 10.314 2.953 -8.422 1.00 71.03 N ATOM 0 H LYS A 45 10.548 5.725 -1.861 1.00 51.50 H new ATOM 0 HA LYS A 45 11.465 7.209 -4.085 1.00 0.30 H new ATOM 0 HB2 LYS A 45 10.675 4.790 -3.950 1.00 15.22 H new ATOM 0 HB3 LYS A 45 9.034 5.399 -3.858 1.00 15.22 H new ATOM 0 HG2 LYS A 45 9.065 6.201 -6.074 1.00 32.34 H new ATOM 0 HG3 LYS A 45 10.815 6.226 -6.150 1.00 32.34 H new ATOM 0 HD2 LYS A 45 10.827 3.721 -5.979 1.00 34.31 H new ATOM 0 HD3 LYS A 45 9.074 3.734 -5.996 1.00 34.31 H new ATOM 0 HE2 LYS A 45 8.997 4.600 -8.232 1.00 74.54 H new ATOM 0 HE3 LYS A 45 10.697 5.025 -8.210 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 10.315 3.002 -9.461 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 11.256 2.667 -8.088 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 9.609 2.255 -8.109 1.00 71.03 H new ATOM 697 N LEU A 46 8.554 8.104 -2.876 1.00 4.32 N ATOM 698 CA LEU A 46 7.570 9.182 -2.908 1.00 11.40 C ATOM 699 C LEU A 46 8.180 10.477 -2.371 1.00 43.12 C ATOM 700 O LEU A 46 7.901 11.569 -2.873 1.00 21.12 O ATOM 701 CB LEU A 46 6.329 8.804 -2.093 1.00 40.21 C ATOM 702 CG LEU A 46 5.552 7.590 -2.606 1.00 51.14 C ATOM 703 CD1 LEU A 46 4.394 7.265 -1.678 1.00 53.20 C ATOM 704 CD2 LEU A 46 5.044 7.835 -4.019 1.00 0.44 C ATOM 0 H LEU A 46 8.418 7.428 -2.125 1.00 4.32 H new ATOM 0 HA LEU A 46 7.269 9.340 -3.944 1.00 11.40 H new ATOM 0 HB2 LEU A 46 6.635 8.610 -1.065 1.00 40.21 H new ATOM 0 HB3 LEU A 46 5.656 9.661 -2.069 1.00 40.21 H new ATOM 0 HG LEU A 46 6.230 6.737 -2.626 1.00 51.14 H new ATOM 0 HD11 LEU A 46 3.854 6.399 -2.060 1.00 53.20 H new ATOM 0 HD12 LEU A 46 4.777 7.043 -0.682 1.00 53.20 H new ATOM 0 HD13 LEU A 46 3.719 8.119 -1.625 1.00 53.20 H new ATOM 0 HD21 LEU A 46 4.494 6.960 -4.365 1.00 0.44 H new ATOM 0 HD22 LEU A 46 4.384 8.703 -4.023 1.00 0.44 H new ATOM 0 HD23 LEU A 46 5.889 8.018 -4.683 1.00 0.44 H new ATOM 716 N TRP A 47 9.020 10.343 -1.351 1.00 34.12 N ATOM 717 CA TRP A 47 9.727 11.481 -0.775 1.00 65.23 C ATOM 718 C TRP A 47 10.612 12.147 -1.822 1.00 73.54 C ATOM 719 O TRP A 47 10.645 13.369 -1.933 1.00 71.13 O ATOM 720 CB TRP A 47 10.571 11.030 0.422 1.00 50.12 C ATOM 721 CG TRP A 47 11.425 12.119 1.001 1.00 34.42 C ATOM 722 CD1 TRP A 47 11.023 13.111 1.842 1.00 74.21 C ATOM 723 CD2 TRP A 47 12.825 12.322 0.776 1.00 12.43 C ATOM 724 NE1 TRP A 47 12.085 13.925 2.151 1.00 34.11 N ATOM 725 CE2 TRP A 47 13.203 13.460 1.512 1.00 50.33 C ATOM 726 CE3 TRP A 47 13.792 11.652 0.024 1.00 13.31 C ATOM 727 CZ2 TRP A 47 14.509 13.943 1.517 1.00 3.12 C ATOM 728 CZ3 TRP A 47 15.088 12.132 0.029 1.00 23.14 C ATOM 729 CH2 TRP A 47 15.438 13.268 0.770 1.00 54.04 C ATOM 0 H TRP A 47 9.229 9.451 -0.903 1.00 34.12 H new ATOM 0 HA TRP A 47 8.990 12.208 -0.432 1.00 65.23 H new ATOM 0 HB2 TRP A 47 9.909 10.648 1.199 1.00 50.12 H new ATOM 0 HB3 TRP A 47 11.211 10.203 0.113 1.00 50.12 H new ATOM 0 HD1 TRP A 47 10.016 13.239 2.212 1.00 74.21 H new ATOM 0 HE1 TRP A 47 12.047 14.744 2.758 1.00 34.11 H new ATOM 0 HE3 TRP A 47 13.532 10.775 -0.551 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 14.780 14.818 2.089 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 15.845 11.622 -0.549 1.00 23.14 H new ATOM 0 HH2 TRP A 47 16.459 13.618 0.752 1.00 54.04 H new ATOM 740 N LYS A 48 11.311 11.327 -2.602 1.00 22.34 N ATOM 741 CA LYS A 48 12.191 11.816 -3.659 1.00 74.55 C ATOM 742 C LYS A 48 11.411 12.590 -4.721 1.00 2.32 C ATOM 743 O LYS A 48 11.984 13.380 -5.468 1.00 13.33 O ATOM 744 CB LYS A 48 12.938 10.647 -4.311 1.00 40.12 C ATOM 745 CG LYS A 48 13.899 9.935 -3.371 1.00 22.33 C ATOM 746 CD LYS A 48 14.445 8.640 -3.966 1.00 43.23 C ATOM 747 CE LYS A 48 15.476 8.878 -5.067 1.00 3.24 C ATOM 748 NZ LYS A 48 14.861 9.282 -6.360 1.00 32.34 N ATOM 0 H LYS A 48 11.284 10.311 -2.520 1.00 22.34 H new ATOM 0 HA LYS A 48 12.911 12.496 -3.203 1.00 74.55 H new ATOM 0 HB2 LYS A 48 12.211 9.927 -4.687 1.00 40.12 H new ATOM 0 HB3 LYS A 48 13.494 11.018 -5.172 1.00 40.12 H new ATOM 0 HG2 LYS A 48 14.729 10.600 -3.133 1.00 22.33 H new ATOM 0 HG3 LYS A 48 13.389 9.714 -2.434 1.00 22.33 H new ATOM 0 HD2 LYS A 48 14.899 8.045 -3.173 1.00 43.23 H new ATOM 0 HD3 LYS A 48 13.619 8.055 -4.370 1.00 43.23 H new ATOM 0 HE2 LYS A 48 16.172 9.652 -4.744 1.00 3.24 H new ATOM 0 HE3 LYS A 48 16.057 7.968 -5.216 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 15.302 8.748 -7.136 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 13.841 9.081 -6.337 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 15.010 10.300 -6.512 1.00 32.34 H new ATOM 762 N LYS A 49 10.105 12.366 -4.775 1.00 5.02 N ATOM 763 CA LYS A 49 9.264 13.011 -5.769 1.00 3.34 C ATOM 764 C LYS A 49 8.782 14.379 -5.284 1.00 74.41 C ATOM 765 O LYS A 49 8.937 15.384 -5.981 1.00 2.01 O ATOM 766 CB LYS A 49 8.067 12.115 -6.100 1.00 13.42 C ATOM 767 CG LYS A 49 7.146 12.687 -7.166 1.00 21.12 C ATOM 768 CD LYS A 49 5.970 11.766 -7.436 1.00 3.24 C ATOM 769 CE LYS A 49 5.059 12.328 -8.514 1.00 64.21 C ATOM 770 NZ LYS A 49 5.756 12.468 -9.818 1.00 42.03 N ATOM 0 H LYS A 49 9.607 11.742 -4.141 1.00 5.02 H new ATOM 0 HA LYS A 49 9.858 13.165 -6.670 1.00 3.34 H new ATOM 0 HB2 LYS A 49 8.434 11.144 -6.433 1.00 13.42 H new ATOM 0 HB3 LYS A 49 7.491 11.943 -5.190 1.00 13.42 H new ATOM 0 HG2 LYS A 49 6.780 13.663 -6.847 1.00 21.12 H new ATOM 0 HG3 LYS A 49 7.707 12.843 -8.088 1.00 21.12 H new ATOM 0 HD2 LYS A 49 6.337 10.786 -7.742 1.00 3.24 H new ATOM 0 HD3 LYS A 49 5.402 11.621 -6.517 1.00 3.24 H new ATOM 0 HE2 LYS A 49 4.194 11.675 -8.634 1.00 64.21 H new ATOM 0 HE3 LYS A 49 4.682 13.301 -8.199 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 5.060 12.675 -10.563 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 6.444 13.245 -9.762 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 6.252 11.582 -10.043 1.00 42.03 H new ATOM 784 N CYS A 50 8.203 14.420 -4.090 1.00 12.50 N ATOM 785 CA CYS A 50 7.583 15.645 -3.594 1.00 71.21 C ATOM 786 C CYS A 50 8.484 16.405 -2.622 1.00 35.22 C ATOM 787 O CYS A 50 8.546 17.632 -2.658 1.00 32.40 O ATOM 788 CB CYS A 50 6.254 15.319 -2.921 1.00 10.52 C ATOM 789 SG CYS A 50 5.089 14.453 -3.991 1.00 23.31 S ATOM 0 H CYS A 50 8.149 13.627 -3.451 1.00 12.50 H new ATOM 0 HA CYS A 50 7.416 16.293 -4.455 1.00 71.21 H new ATOM 0 HB2 CYS A 50 6.445 14.709 -2.038 1.00 10.52 H new ATOM 0 HB3 CYS A 50 5.796 16.246 -2.575 1.00 10.52 H new ATOM 0 HG CYS A 50 3.992 14.216 -3.336 1.00 23.31 H new ATOM 795 N GLY A 51 9.187 15.681 -1.762 1.00 35.33 N ATOM 796 CA GLY A 51 9.975 16.326 -0.724 1.00 52.24 C ATOM 797 C GLY A 51 9.172 16.559 0.540 1.00 30.01 C ATOM 798 O GLY A 51 9.501 17.426 1.350 1.00 11.52 O ATOM 0 H GLY A 51 9.228 14.662 -1.762 1.00 35.33 H new ATOM 0 HA2 GLY A 51 10.843 15.709 -0.493 1.00 52.24 H new ATOM 0 HA3 GLY A 51 10.351 17.279 -1.095 1.00 52.24 H new ATOM 802 N THR A 52 8.110 15.786 0.703 1.00 64.54 N ATOM 803 CA THR A 52 7.256 15.893 1.874 1.00 12.55 C ATOM 804 C THR A 52 7.752 14.960 2.975 1.00 5.22 C ATOM 805 O THR A 52 8.078 13.802 2.709 1.00 43.15 O ATOM 806 CB THR A 52 5.795 15.547 1.519 1.00 11.01 C ATOM 807 OG1 THR A 52 5.372 16.347 0.406 1.00 51.22 O ATOM 808 CG2 THR A 52 4.869 15.791 2.701 1.00 35.50 C ATOM 0 H THR A 52 7.818 15.073 0.034 1.00 64.54 H new ATOM 0 HA THR A 52 7.295 16.923 2.230 1.00 12.55 H new ATOM 0 HB THR A 52 5.746 14.489 1.260 1.00 11.01 H new ATOM 0 HG1 THR A 52 4.445 16.127 0.179 1.00 51.22 H new ATOM 0 HG21 THR A 52 3.847 15.538 2.420 1.00 35.50 H new ATOM 0 HG22 THR A 52 5.179 15.169 3.541 1.00 35.50 H new ATOM 0 HG23 THR A 52 4.917 16.841 2.990 1.00 35.50 H new ATOM 816 N SER A 53 7.814 15.473 4.202 1.00 34.34 N ATOM 817 CA SER A 53 8.297 14.702 5.342 1.00 21.23 C ATOM 818 C SER A 53 7.539 13.375 5.471 1.00 20.11 C ATOM 819 O SER A 53 6.307 13.342 5.397 1.00 42.30 O ATOM 820 CB SER A 53 8.135 15.531 6.616 1.00 13.42 C ATOM 821 OG SER A 53 8.614 16.854 6.422 1.00 63.20 O ATOM 0 H SER A 53 7.533 16.426 4.431 1.00 34.34 H new ATOM 0 HA SER A 53 9.351 14.469 5.188 1.00 21.23 H new ATOM 0 HB2 SER A 53 7.085 15.559 6.906 1.00 13.42 H new ATOM 0 HB3 SER A 53 8.679 15.059 7.434 1.00 13.42 H new ATOM 0 HG SER A 53 8.499 17.368 7.249 1.00 63.20 H new ATOM 827 N VAL A 54 8.281 12.289 5.677 1.00 71.23 N ATOM 828 CA VAL A 54 7.700 10.945 5.689 1.00 73.52 C ATOM 829 C VAL A 54 6.807 10.714 6.908 1.00 64.13 C ATOM 830 O VAL A 54 6.024 9.764 6.937 1.00 30.12 O ATOM 831 CB VAL A 54 8.790 9.849 5.640 1.00 20.24 C ATOM 832 CG1 VAL A 54 9.566 9.925 4.333 1.00 1.30 C ATOM 833 CG2 VAL A 54 9.733 9.963 6.830 1.00 65.15 C ATOM 0 H VAL A 54 9.288 12.312 5.838 1.00 71.23 H new ATOM 0 HA VAL A 54 7.086 10.876 4.791 1.00 73.52 H new ATOM 0 HB VAL A 54 8.296 8.879 5.693 1.00 20.24 H new ATOM 0 HG11 VAL A 54 10.328 9.146 4.317 1.00 1.30 H new ATOM 0 HG12 VAL A 54 8.883 9.782 3.496 1.00 1.30 H new ATOM 0 HG13 VAL A 54 10.043 10.902 4.249 1.00 1.30 H new ATOM 0 HG21 VAL A 54 10.490 9.181 6.771 1.00 65.15 H new ATOM 0 HG22 VAL A 54 10.218 10.939 6.817 1.00 65.15 H new ATOM 0 HG23 VAL A 54 9.167 9.851 7.755 1.00 65.15 H new ATOM 843 N ASN A 55 6.930 11.568 7.914 1.00 63.34 N ATOM 844 CA ASN A 55 6.056 11.489 9.079 1.00 43.51 C ATOM 845 C ASN A 55 4.721 12.169 8.786 1.00 31.24 C ATOM 846 O ASN A 55 3.689 11.803 9.349 1.00 75.22 O ATOM 847 CB ASN A 55 6.720 12.120 10.307 1.00 61.13 C ATOM 848 CG ASN A 55 5.851 12.019 11.550 1.00 55.42 C ATOM 849 OD1 ASN A 55 5.866 11.009 12.251 1.00 60.31 O ATOM 850 ND2 ASN A 55 5.111 13.074 11.844 1.00 15.41 N ATOM 0 H ASN A 55 7.620 12.318 7.949 1.00 63.34 H new ATOM 0 HA ASN A 55 5.873 10.437 9.297 1.00 43.51 H new ATOM 0 HB2 ASN A 55 7.675 11.629 10.493 1.00 61.13 H new ATOM 0 HB3 ASN A 55 6.936 13.169 10.102 1.00 61.13 H new ATOM 0 HD21 ASN A 55 4.525 13.069 12.679 1.00 15.41 H new ATOM 0 HD22 ASN A 55 5.126 13.893 11.236 1.00 15.41 H new ATOM 857 N SER A 56 4.744 13.155 7.894 1.00 24.33 N ATOM 858 CA SER A 56 3.523 13.825 7.465 1.00 0.31 C ATOM 859 C SER A 56 2.749 12.927 6.505 1.00 21.01 C ATOM 860 O SER A 56 1.527 13.024 6.379 1.00 24.13 O ATOM 861 CB SER A 56 3.860 15.158 6.797 1.00 32.42 C ATOM 862 OG SER A 56 4.621 15.981 7.665 1.00 54.44 O ATOM 0 H SER A 56 5.595 13.507 7.455 1.00 24.33 H new ATOM 0 HA SER A 56 2.900 14.024 8.337 1.00 0.31 H new ATOM 0 HB2 SER A 56 4.418 14.978 5.878 1.00 32.42 H new ATOM 0 HB3 SER A 56 2.940 15.671 6.516 1.00 32.42 H new ATOM 0 HG SER A 56 4.191 16.858 7.745 1.00 54.44 H new ATOM 868 N MET A 57 3.475 12.044 5.835 1.00 55.24 N ATOM 869 CA MET A 57 2.859 11.046 4.975 1.00 20.14 C ATOM 870 C MET A 57 2.559 9.795 5.794 1.00 15.22 C ATOM 871 O MET A 57 3.232 8.773 5.669 1.00 43.54 O ATOM 872 CB MET A 57 3.774 10.714 3.790 1.00 40.52 C ATOM 873 CG MET A 57 3.128 9.813 2.745 1.00 53.04 C ATOM 874 SD MET A 57 4.231 9.444 1.362 1.00 12.21 S ATOM 875 CE MET A 57 5.543 8.554 2.196 1.00 55.14 C ATOM 0 H MET A 57 4.493 11.999 5.871 1.00 55.24 H new ATOM 0 HA MET A 57 1.927 11.443 4.572 1.00 20.14 H new ATOM 0 HB2 MET A 57 4.085 11.643 3.312 1.00 40.52 H new ATOM 0 HB3 MET A 57 4.676 10.231 4.165 1.00 40.52 H new ATOM 0 HG2 MET A 57 2.819 8.880 3.217 1.00 53.04 H new ATOM 0 HG3 MET A 57 2.225 10.292 2.366 1.00 53.04 H new ATOM 0 HE1 MET A 57 6.486 9.082 2.057 1.00 55.14 H new ATOM 0 HE2 MET A 57 5.318 8.487 3.260 1.00 55.14 H new ATOM 0 HE3 MET A 57 5.624 7.550 1.778 1.00 55.14 H new ATOM 885 N ALA A 58 1.568 9.910 6.663 1.00 5.02 N ATOM 886 CA ALA A 58 1.211 8.828 7.570 1.00 14.22 C ATOM 887 C ALA A 58 0.304 7.814 6.888 1.00 64.21 C ATOM 888 O ALA A 58 -0.744 8.170 6.344 1.00 61.13 O ATOM 889 CB ALA A 58 0.540 9.381 8.819 1.00 62.50 C ATOM 0 H ALA A 58 0.993 10.747 6.761 1.00 5.02 H new ATOM 0 HA ALA A 58 2.129 8.318 7.860 1.00 14.22 H new ATOM 0 HB1 ALA A 58 0.280 8.559 9.486 1.00 62.50 H new ATOM 0 HB2 ALA A 58 1.223 10.060 9.329 1.00 62.50 H new ATOM 0 HB3 ALA A 58 -0.364 9.920 8.538 1.00 62.50 H new ATOM 895 N LEU A 59 0.714 6.557 6.910 1.00 20.22 N ATOM 896 CA LEU A 59 -0.066 5.487 6.314 1.00 31.41 C ATOM 897 C LEU A 59 -0.633 4.579 7.399 1.00 10.30 C ATOM 898 O LEU A 59 0.064 3.701 7.909 1.00 33.44 O ATOM 899 CB LEU A 59 0.794 4.667 5.347 1.00 71.23 C ATOM 900 CG LEU A 59 1.414 5.453 4.191 1.00 0.45 C ATOM 901 CD1 LEU A 59 2.298 4.546 3.348 1.00 74.22 C ATOM 902 CD2 LEU A 59 0.325 6.083 3.337 1.00 64.44 C ATOM 0 H LEU A 59 1.588 6.252 7.337 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.890 5.934 5.757 1.00 31.41 H new ATOM 0 HB2 LEU A 59 1.596 4.194 5.913 1.00 71.23 H new ATOM 0 HB3 LEU A 59 0.181 3.867 4.932 1.00 71.23 H new ATOM 0 HG LEU A 59 2.033 6.250 4.603 1.00 0.45 H new ATOM 0 HD11 LEU A 59 2.732 5.120 2.529 1.00 74.22 H new ATOM 0 HD12 LEU A 59 3.096 4.137 3.968 1.00 74.22 H new ATOM 0 HD13 LEU A 59 1.700 3.730 2.942 1.00 74.22 H new ATOM 0 HD21 LEU A 59 0.781 6.639 2.518 1.00 64.44 H new ATOM 0 HD22 LEU A 59 -0.317 5.301 2.931 1.00 64.44 H new ATOM 0 HD23 LEU A 59 -0.271 6.761 3.949 1.00 64.44 H new ATOM 914 N GLU A 60 -1.883 4.808 7.773 1.00 25.15 N ATOM 915 CA GLU A 60 -2.533 3.956 8.755 1.00 74.12 C ATOM 916 C GLU A 60 -2.971 2.654 8.112 1.00 53.32 C ATOM 917 O GLU A 60 -3.864 2.636 7.258 1.00 10.11 O ATOM 918 CB GLU A 60 -3.743 4.639 9.393 1.00 33.23 C ATOM 919 CG GLU A 60 -3.391 5.725 10.395 1.00 1.33 C ATOM 920 CD GLU A 60 -4.577 6.096 11.257 1.00 23.33 C ATOM 921 OE1 GLU A 60 -5.543 6.671 10.723 1.00 20.15 O ATOM 922 OE2 GLU A 60 -4.560 5.794 12.469 1.00 14.32 O ATOM 0 H GLU A 60 -2.462 5.568 7.416 1.00 25.15 H new ATOM 0 HA GLU A 60 -1.804 3.755 9.540 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -4.358 5.074 8.605 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.351 3.884 9.892 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -2.573 5.384 11.029 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -3.036 6.609 9.864 1.00 1.33 H new ATOM 929 N LEU A 61 -2.328 1.572 8.510 1.00 52.12 N ATOM 930 CA LEU A 61 -2.667 0.259 8.004 1.00 44.25 C ATOM 931 C LEU A 61 -3.917 -0.264 8.704 1.00 52.01 C ATOM 932 O LEU A 61 -3.863 -0.711 9.852 1.00 34.22 O ATOM 933 CB LEU A 61 -1.497 -0.709 8.210 1.00 14.23 C ATOM 934 CG LEU A 61 -1.655 -2.078 7.544 1.00 22.31 C ATOM 935 CD1 LEU A 61 -1.786 -1.926 6.038 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.475 -2.975 7.880 1.00 34.23 C ATOM 0 H LEU A 61 -1.564 1.579 9.186 1.00 52.12 H new ATOM 0 HA LEU A 61 -2.869 0.335 6.936 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.589 -0.241 7.830 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.355 -0.858 9.280 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.564 -2.541 7.928 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -1.897 -2.909 5.581 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -2.661 -1.318 5.808 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -0.894 -1.441 5.642 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.605 -3.944 7.398 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.446 -2.513 7.524 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.418 -3.112 8.960 1.00 34.23 H new ATOM 948 N TYR A 62 -5.044 -0.172 8.021 1.00 61.14 N ATOM 949 CA TYR A 62 -6.295 -0.680 8.551 1.00 2.11 C ATOM 950 C TYR A 62 -6.483 -2.128 8.141 1.00 61.41 C ATOM 951 O TYR A 62 -6.545 -2.437 6.947 1.00 72.31 O ATOM 952 CB TYR A 62 -7.488 0.145 8.055 1.00 3.42 C ATOM 953 CG TYR A 62 -7.527 1.574 8.554 1.00 33.02 C ATOM 954 CD1 TYR A 62 -6.906 1.948 9.740 1.00 71.01 C ATOM 955 CD2 TYR A 62 -8.210 2.548 7.839 1.00 32.31 C ATOM 956 CE1 TYR A 62 -6.959 3.253 10.190 1.00 34.21 C ATOM 957 CE2 TYR A 62 -8.267 3.852 8.284 1.00 3.24 C ATOM 958 CZ TYR A 62 -7.644 4.201 9.460 1.00 71.51 C ATOM 959 OH TYR A 62 -7.709 5.503 9.905 1.00 42.20 O ATOM 0 H TYR A 62 -5.118 0.251 7.096 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.250 -0.605 9.637 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.475 0.156 6.965 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.408 -0.355 8.358 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -6.374 1.207 10.318 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -8.706 2.280 6.918 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -6.466 3.530 11.110 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -8.799 4.597 7.711 1.00 3.24 H new ATOM 0 HH TYR A 62 -6.882 5.728 10.381 1.00 42.20 H new ATOM 969 N ASP A 63 -6.562 -3.011 9.118 1.00 1.43 N ATOM 970 CA ASP A 63 -6.823 -4.408 8.839 1.00 11.23 C ATOM 971 C ASP A 63 -8.320 -4.602 8.638 1.00 2.14 C ATOM 972 O ASP A 63 -9.128 -3.817 9.136 1.00 41.23 O ATOM 973 CB ASP A 63 -6.307 -5.309 9.966 1.00 75.31 C ATOM 974 CG ASP A 63 -7.219 -5.325 11.176 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.190 -4.359 11.970 1.00 53.31 O ATOM 976 OD2 ASP A 63 -7.972 -6.304 11.328 1.00 43.34 O ATOM 0 H ASP A 63 -6.450 -2.787 10.107 1.00 1.43 H new ATOM 0 HA ASP A 63 -6.291 -4.692 7.931 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -6.195 -6.325 9.589 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -5.316 -4.971 10.269 1.00 75.31 H new ATOM 981 N ASP A 64 -8.691 -5.619 7.886 1.00 4.20 N ATOM 982 CA ASP A 64 -10.094 -5.855 7.574 1.00 5.02 C ATOM 983 C ASP A 64 -10.702 -6.841 8.570 1.00 55.24 C ATOM 984 O ASP A 64 -11.237 -7.882 8.194 1.00 31.43 O ATOM 985 CB ASP A 64 -10.234 -6.364 6.133 1.00 34.42 C ATOM 986 CG ASP A 64 -11.668 -6.341 5.631 1.00 73.43 C ATOM 987 OD1 ASP A 64 -12.229 -5.232 5.477 1.00 53.30 O ATOM 988 OD2 ASP A 64 -12.225 -7.423 5.356 1.00 71.13 O ATOM 0 H ASP A 64 -8.046 -6.296 7.479 1.00 4.20 H new ATOM 0 HA ASP A 64 -10.640 -4.916 7.658 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -9.615 -5.753 5.476 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -9.851 -7.383 6.075 1.00 34.42 H new ATOM 993 N SER A 65 -10.586 -6.513 9.851 1.00 53.42 N ATOM 994 CA SER A 65 -11.166 -7.325 10.911 1.00 34.11 C ATOM 995 C SER A 65 -11.287 -6.503 12.194 1.00 25.34 C ATOM 996 O SER A 65 -12.371 -6.382 12.770 1.00 32.22 O ATOM 997 CB SER A 65 -10.310 -8.576 11.150 1.00 23.22 C ATOM 998 OG SER A 65 -10.994 -9.530 11.946 1.00 30.12 O ATOM 0 H SER A 65 -10.092 -5.684 10.181 1.00 53.42 H new ATOM 0 HA SER A 65 -12.163 -7.644 10.607 1.00 34.11 H new ATOM 0 HB2 SER A 65 -10.043 -9.024 10.193 1.00 23.22 H new ATOM 0 HB3 SER A 65 -9.379 -8.293 11.640 1.00 23.22 H new ATOM 0 HG SER A 65 -10.423 -10.315 12.078 1.00 30.12 H new ATOM 1004 N GLY A 66 -10.170 -5.935 12.631 1.00 62.34 N ATOM 1005 CA GLY A 66 -10.161 -5.122 13.828 1.00 23.35 C ATOM 1006 C GLY A 66 -10.303 -3.645 13.523 1.00 30.24 C ATOM 1007 O GLY A 66 -11.421 -3.138 13.408 1.00 60.44 O ATOM 0 H GLY A 66 -9.264 -6.025 12.172 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -10.974 -5.435 14.483 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -9.231 -5.290 14.372 1.00 23.35 H new ATOM 1011 N SER A 67 -9.176 -2.958 13.372 1.00 65.02 N ATOM 1012 CA SER A 67 -9.170 -1.514 13.141 1.00 11.31 C ATOM 1013 C SER A 67 -7.810 -1.046 12.625 1.00 75.32 C ATOM 1014 O SER A 67 -7.651 -0.764 11.439 1.00 43.41 O ATOM 1015 CB SER A 67 -9.524 -0.742 14.422 1.00 3.55 C ATOM 1016 OG SER A 67 -10.856 -1.002 14.837 1.00 12.21 O ATOM 0 H SER A 67 -8.248 -3.379 13.405 1.00 65.02 H new ATOM 0 HA SER A 67 -9.928 -1.307 12.385 1.00 11.31 H new ATOM 0 HB2 SER A 67 -8.833 -1.020 15.218 1.00 3.55 H new ATOM 0 HB3 SER A 67 -9.398 0.327 14.250 1.00 3.55 H new ATOM 0 HG SER A 67 -11.318 -1.523 14.147 1.00 12.21 H new ATOM 1022 N LYS A 68 -6.829 -0.978 13.520 1.00 11.34 N ATOM 1023 CA LYS A 68 -5.504 -0.473 13.172 1.00 12.01 C ATOM 1024 C LYS A 68 -4.429 -1.503 13.502 1.00 43.03 C ATOM 1025 O LYS A 68 -4.349 -1.977 14.637 1.00 22.42 O ATOM 1026 CB LYS A 68 -5.192 0.819 13.939 1.00 11.52 C ATOM 1027 CG LYS A 68 -6.182 1.955 13.718 1.00 54.44 C ATOM 1028 CD LYS A 68 -5.811 3.159 14.572 1.00 32.53 C ATOM 1029 CE LYS A 68 -6.864 4.253 14.519 1.00 42.22 C ATOM 1030 NZ LYS A 68 -6.997 4.841 13.161 1.00 40.21 N ATOM 0 H LYS A 68 -6.927 -1.267 14.493 1.00 11.34 H new ATOM 0 HA LYS A 68 -5.505 -0.272 12.101 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -5.156 0.591 15.004 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -4.198 1.163 13.652 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -6.191 2.237 12.665 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -7.189 1.621 13.967 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -5.674 2.840 15.605 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -4.856 3.561 14.233 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -7.825 3.845 14.832 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -6.605 5.038 15.229 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -7.511 5.743 13.222 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -6.052 5.008 12.761 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -7.522 4.184 12.548 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.604 -1.839 12.524 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.475 -2.733 12.753 1.00 60.42 C ATOM 1046 C VAL A 69 -1.163 -2.062 12.359 1.00 75.05 C ATOM 1047 O VAL A 69 -0.572 -2.363 11.324 1.00 41.22 O ATOM 1048 CB VAL A 69 -2.635 -4.080 12.008 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.651 -4.962 12.715 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.054 -3.864 10.563 1.00 71.31 C ATOM 0 H VAL A 69 -3.693 -1.508 11.563 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.454 -2.950 13.821 1.00 60.42 H new ATOM 0 HB VAL A 69 -1.666 -4.578 12.013 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -3.751 -5.905 12.177 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.316 -5.159 13.733 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.616 -4.456 12.742 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.158 -4.829 10.066 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -4.008 -3.337 10.536 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.297 -3.271 10.049 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.722 -1.128 13.189 1.00 42.43 N ATOM 1061 CA ALA A 70 0.500 -0.396 12.918 1.00 4.24 C ATOM 1062 C ALA A 70 1.611 -0.792 13.884 1.00 41.32 C ATOM 1063 O ALA A 70 1.702 -0.271 14.996 1.00 21.12 O ATOM 1064 CB ALA A 70 0.243 1.103 12.983 1.00 72.42 C ATOM 0 H ALA A 70 -1.193 -0.862 14.053 1.00 42.43 H new ATOM 0 HA ALA A 70 0.830 -0.653 11.911 1.00 4.24 H new ATOM 0 HB1 ALA A 70 1.169 1.640 12.778 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.507 1.376 12.241 1.00 72.42 H new ATOM 0 HB3 ALA A 70 -0.117 1.368 13.977 1.00 72.42 H new ATOM 1070 N VAL A 71 2.442 -1.734 13.463 1.00 31.30 N ATOM 1071 CA VAL A 71 3.610 -2.122 14.241 1.00 31.03 C ATOM 1072 C VAL A 71 4.811 -1.313 13.773 1.00 60.25 C ATOM 1073 O VAL A 71 5.616 -0.841 14.578 1.00 3.34 O ATOM 1074 CB VAL A 71 3.915 -3.631 14.105 1.00 53.23 C ATOM 1075 CG1 VAL A 71 5.105 -4.022 14.968 1.00 35.24 C ATOM 1076 CG2 VAL A 71 2.689 -4.458 14.468 1.00 50.24 C ATOM 0 H VAL A 71 2.329 -2.244 12.587 1.00 31.30 H new ATOM 0 HA VAL A 71 3.402 -1.921 15.292 1.00 31.03 H new ATOM 0 HB VAL A 71 4.171 -3.836 13.066 1.00 53.23 H new ATOM 0 HG11 VAL A 71 5.301 -5.088 14.856 1.00 35.24 H new ATOM 0 HG12 VAL A 71 5.983 -3.457 14.655 1.00 35.24 H new ATOM 0 HG13 VAL A 71 4.885 -3.801 16.013 1.00 35.24 H new ATOM 0 HG21 VAL A 71 2.922 -5.518 14.367 1.00 50.24 H new ATOM 0 HG22 VAL A 71 2.400 -4.247 15.497 1.00 50.24 H new ATOM 0 HG23 VAL A 71 1.867 -4.202 13.800 1.00 50.24 H new ATOM 1086 N LEU A 72 4.902 -1.159 12.453 1.00 44.53 N ATOM 1087 CA LEU A 72 5.919 -0.329 11.816 1.00 40.44 C ATOM 1088 C LEU A 72 7.329 -0.842 12.118 1.00 53.22 C ATOM 1089 O LEU A 72 8.264 -0.066 12.316 1.00 32.30 O ATOM 1090 CB LEU A 72 5.764 1.130 12.258 1.00 44.23 C ATOM 1091 CG LEU A 72 6.347 2.163 11.295 1.00 60.05 C ATOM 1092 CD1 LEU A 72 5.609 2.124 9.961 1.00 52.41 C ATOM 1093 CD2 LEU A 72 6.288 3.553 11.911 1.00 63.10 C ATOM 0 H LEU A 72 4.268 -1.610 11.793 1.00 44.53 H new ATOM 0 HA LEU A 72 5.775 -0.385 10.737 1.00 40.44 H new ATOM 0 HB2 LEU A 72 4.704 1.341 12.395 1.00 44.23 H new ATOM 0 HB3 LEU A 72 6.242 1.252 13.230 1.00 44.23 H new ATOM 0 HG LEU A 72 7.393 1.918 11.109 1.00 60.05 H new ATOM 0 HD11 LEU A 72 6.037 2.866 9.287 1.00 52.41 H new ATOM 0 HD12 LEU A 72 5.708 1.132 9.519 1.00 52.41 H new ATOM 0 HD13 LEU A 72 4.554 2.346 10.122 1.00 52.41 H new ATOM 0 HD21 LEU A 72 6.707 4.278 11.213 1.00 63.10 H new ATOM 0 HD22 LEU A 72 5.251 3.812 12.125 1.00 63.10 H new ATOM 0 HD23 LEU A 72 6.864 3.566 12.836 1.00 63.10 H new ATOM 1105 N SER A 73 7.469 -2.156 12.148 1.00 4.43 N ATOM 1106 CA SER A 73 8.771 -2.786 12.309 1.00 34.33 C ATOM 1107 C SER A 73 8.964 -3.798 11.182 1.00 73.41 C ATOM 1108 O SER A 73 9.957 -4.526 11.118 1.00 62.11 O ATOM 1109 CB SER A 73 8.875 -3.461 13.685 1.00 41.22 C ATOM 1110 OG SER A 73 10.197 -3.911 13.950 1.00 31.40 O ATOM 0 H SER A 73 6.693 -2.812 12.063 1.00 4.43 H new ATOM 0 HA SER A 73 9.558 -2.034 12.256 1.00 34.33 H new ATOM 0 HB2 SER A 73 8.567 -2.758 14.459 1.00 41.22 H new ATOM 0 HB3 SER A 73 8.187 -4.305 13.729 1.00 41.22 H new ATOM 0 HG SER A 73 10.624 -4.183 13.111 1.00 31.40 H new ATOM 1116 N ASP A 74 7.990 -3.817 10.286 1.00 3.33 N ATOM 1117 CA ASP A 74 7.972 -4.735 9.157 1.00 34.51 C ATOM 1118 C ASP A 74 7.993 -3.961 7.845 1.00 33.50 C ATOM 1119 O ASP A 74 8.202 -4.529 6.772 1.00 34.14 O ATOM 1120 CB ASP A 74 6.723 -5.615 9.234 1.00 43.22 C ATOM 1121 CG ASP A 74 5.462 -4.811 9.507 1.00 35.34 C ATOM 1122 OD1 ASP A 74 5.230 -4.443 10.686 1.00 72.25 O ATOM 1123 OD2 ASP A 74 4.705 -4.541 8.561 1.00 52.13 O ATOM 0 H ASP A 74 7.184 -3.192 10.321 1.00 3.33 H new ATOM 0 HA ASP A 74 8.859 -5.368 9.196 1.00 34.51 H new ATOM 0 HB2 ASP A 74 6.607 -6.159 8.297 1.00 43.22 H new ATOM 0 HB3 ASP A 74 6.854 -6.358 10.020 1.00 43.22 H new ATOM 1128 N ASP A 75 7.823 -2.653 7.953 1.00 14.01 N ATOM 1129 CA ASP A 75 7.727 -1.785 6.786 1.00 14.04 C ATOM 1130 C ASP A 75 9.107 -1.543 6.182 1.00 72.41 C ATOM 1131 O ASP A 75 9.246 -1.319 4.981 1.00 44.35 O ATOM 1132 CB ASP A 75 7.082 -0.447 7.170 1.00 1.45 C ATOM 1133 CG ASP A 75 7.998 0.446 7.991 1.00 72.43 C ATOM 1134 OD1 ASP A 75 8.693 -0.063 8.899 1.00 31.44 O ATOM 1135 OD2 ASP A 75 8.021 1.666 7.737 1.00 22.14 O ATOM 0 H ASP A 75 7.748 -2.164 8.845 1.00 14.01 H new ATOM 0 HA ASP A 75 7.102 -2.279 6.042 1.00 14.04 H new ATOM 0 HB2 ASP A 75 6.788 0.081 6.263 1.00 1.45 H new ATOM 0 HB3 ASP A 75 6.171 -0.640 7.736 1.00 1.45 H new ATOM 1140 N SER A 76 10.124 -1.606 7.025 1.00 53.01 N ATOM 1141 CA SER A 76 11.491 -1.365 6.601 1.00 2.22 C ATOM 1142 C SER A 76 12.141 -2.668 6.145 1.00 60.43 C ATOM 1143 O SER A 76 13.359 -2.756 5.988 1.00 63.21 O ATOM 1144 CB SER A 76 12.270 -0.745 7.763 1.00 3.50 C ATOM 1145 OG SER A 76 11.540 0.332 8.328 1.00 62.35 O ATOM 0 H SER A 76 10.026 -1.824 8.016 1.00 53.01 H new ATOM 0 HA SER A 76 11.499 -0.675 5.757 1.00 2.22 H new ATOM 0 HB2 SER A 76 12.463 -1.501 8.524 1.00 3.50 H new ATOM 0 HB3 SER A 76 13.239 -0.391 7.412 1.00 3.50 H new ATOM 0 HG SER A 76 10.656 0.016 8.610 1.00 62.35 H new ATOM 1151 N ARG A 77 11.312 -3.677 5.929 1.00 22.54 N ATOM 1152 CA ARG A 77 11.779 -4.982 5.502 1.00 61.22 C ATOM 1153 C ARG A 77 11.123 -5.334 4.176 1.00 12.44 C ATOM 1154 O ARG A 77 10.079 -4.776 3.836 1.00 11.43 O ATOM 1155 CB ARG A 77 11.419 -6.038 6.553 1.00 61.24 C ATOM 1156 CG ARG A 77 11.787 -5.638 7.975 1.00 60.41 C ATOM 1157 CD ARG A 77 13.290 -5.506 8.158 1.00 32.53 C ATOM 1158 NE ARG A 77 13.958 -6.804 8.172 1.00 13.15 N ATOM 1159 CZ ARG A 77 14.406 -7.388 9.281 1.00 13.02 C ATOM 1160 NH1 ARG A 77 14.245 -6.792 10.459 1.00 34.25 N ATOM 1161 NH2 ARG A 77 15.010 -8.566 9.208 1.00 10.13 N ATOM 0 H ARG A 77 10.301 -3.613 6.045 1.00 22.54 H new ATOM 0 HA ARG A 77 12.862 -4.959 5.383 1.00 61.22 H new ATOM 0 HB2 ARG A 77 10.348 -6.234 6.506 1.00 61.24 H new ATOM 0 HB3 ARG A 77 11.925 -6.971 6.305 1.00 61.24 H new ATOM 0 HG2 ARG A 77 11.307 -4.691 8.221 1.00 60.41 H new ATOM 0 HG3 ARG A 77 11.401 -6.381 8.672 1.00 60.41 H new ATOM 0 HD2 ARG A 77 13.701 -4.896 7.353 1.00 32.53 H new ATOM 0 HD3 ARG A 77 13.496 -4.983 9.092 1.00 32.53 H new ATOM 0 HE ARG A 77 14.088 -7.289 7.284 1.00 13.15 H new ATOM 0 HH11 ARG A 77 13.778 -5.887 10.513 1.00 34.25 H new ATOM 0 HH12 ARG A 77 14.589 -7.240 11.308 1.00 34.25 H new ATOM 0 HH21 ARG A 77 15.130 -9.022 8.304 1.00 10.13 H new ATOM 0 HH22 ARG A 77 15.354 -9.016 10.056 1.00 10.13 H new ATOM 1175 N PRO A 78 11.726 -6.236 3.391 1.00 35.41 N ATOM 1176 CA PRO A 78 11.088 -6.757 2.186 1.00 3.24 C ATOM 1177 C PRO A 78 9.770 -7.435 2.535 1.00 23.53 C ATOM 1178 O PRO A 78 9.747 -8.421 3.280 1.00 74.13 O ATOM 1179 CB PRO A 78 12.103 -7.768 1.633 1.00 41.20 C ATOM 1180 CG PRO A 78 13.035 -8.055 2.767 1.00 4.11 C ATOM 1181 CD PRO A 78 13.064 -6.812 3.602 1.00 51.31 C ATOM 0 HA PRO A 78 10.846 -5.979 1.462 1.00 3.24 H new ATOM 0 HB2 PRO A 78 11.607 -8.677 1.293 1.00 41.20 H new ATOM 0 HB3 PRO A 78 12.640 -7.358 0.777 1.00 41.20 H new ATOM 0 HG2 PRO A 78 12.689 -8.909 3.350 1.00 4.11 H new ATOM 0 HG3 PRO A 78 14.031 -8.302 2.400 1.00 4.11 H new ATOM 0 HD2 PRO A 78 13.245 -7.037 4.653 1.00 51.31 H new ATOM 0 HD3 PRO A 78 13.852 -6.130 3.282 1.00 51.31 H new ATOM 1189 N LEU A 79 8.676 -6.904 2.008 1.00 23.34 N ATOM 1190 CA LEU A 79 7.346 -7.362 2.384 1.00 12.33 C ATOM 1191 C LEU A 79 7.154 -8.831 2.008 1.00 0.45 C ATOM 1192 O LEU A 79 6.349 -9.534 2.611 1.00 52.02 O ATOM 1193 CB LEU A 79 6.279 -6.486 1.721 1.00 62.02 C ATOM 1194 CG LEU A 79 4.896 -6.531 2.375 1.00 24.00 C ATOM 1195 CD1 LEU A 79 4.972 -6.055 3.823 1.00 75.53 C ATOM 1196 CD2 LEU A 79 3.909 -5.684 1.582 1.00 11.11 C ATOM 0 H LEU A 79 8.683 -6.154 1.317 1.00 23.34 H new ATOM 0 HA LEU A 79 7.241 -7.276 3.466 1.00 12.33 H new ATOM 0 HB2 LEU A 79 6.629 -5.454 1.721 1.00 62.02 H new ATOM 0 HB3 LEU A 79 6.180 -6.789 0.679 1.00 62.02 H new ATOM 0 HG LEU A 79 4.545 -7.563 2.374 1.00 24.00 H new ATOM 0 HD11 LEU A 79 3.979 -6.094 4.271 1.00 75.53 H new ATOM 0 HD12 LEU A 79 5.649 -6.700 4.383 1.00 75.53 H new ATOM 0 HD13 LEU A 79 5.342 -5.030 3.850 1.00 75.53 H new ATOM 0 HD21 LEU A 79 2.929 -5.725 2.058 1.00 11.11 H new ATOM 0 HD22 LEU A 79 4.256 -4.651 1.554 1.00 11.11 H new ATOM 0 HD23 LEU A 79 3.834 -6.069 0.565 1.00 11.11 H new ATOM 1208 N GLY A 80 7.912 -9.291 1.018 1.00 51.51 N ATOM 1209 CA GLY A 80 7.874 -10.685 0.622 1.00 73.41 C ATOM 1210 C GLY A 80 8.417 -11.599 1.701 1.00 45.33 C ATOM 1211 O GLY A 80 7.901 -12.697 1.907 1.00 34.12 O ATOM 0 H GLY A 80 8.558 -8.715 0.478 1.00 51.51 H new ATOM 0 HA2 GLY A 80 6.847 -10.968 0.391 1.00 73.41 H new ATOM 0 HA3 GLY A 80 8.454 -10.818 -0.291 1.00 73.41 H new ATOM 1215 N PHE A 81 9.447 -11.135 2.396 1.00 70.25 N ATOM 1216 CA PHE A 81 10.037 -11.891 3.494 1.00 15.52 C ATOM 1217 C PHE A 81 9.051 -11.964 4.650 1.00 41.11 C ATOM 1218 O PHE A 81 8.940 -12.987 5.330 1.00 73.21 O ATOM 1219 CB PHE A 81 11.349 -11.235 3.936 1.00 73.15 C ATOM 1220 CG PHE A 81 12.038 -11.933 5.077 1.00 53.13 C ATOM 1221 CD1 PHE A 81 12.670 -13.149 4.881 1.00 72.42 C ATOM 1222 CD2 PHE A 81 12.064 -11.364 6.340 1.00 73.43 C ATOM 1223 CE1 PHE A 81 13.314 -13.787 5.922 1.00 62.05 C ATOM 1224 CE2 PHE A 81 12.706 -11.999 7.387 1.00 71.25 C ATOM 1225 CZ PHE A 81 13.332 -13.210 7.178 1.00 11.13 C ATOM 0 H PHE A 81 9.893 -10.235 2.218 1.00 70.25 H new ATOM 0 HA PHE A 81 10.259 -12.905 3.161 1.00 15.52 H new ATOM 0 HB2 PHE A 81 12.028 -11.199 3.084 1.00 73.15 H new ATOM 0 HB3 PHE A 81 11.146 -10.204 4.226 1.00 73.15 H new ATOM 0 HD1 PHE A 81 12.659 -13.604 3.902 1.00 72.42 H new ATOM 0 HD2 PHE A 81 11.578 -10.415 6.508 1.00 73.43 H new ATOM 0 HE1 PHE A 81 13.803 -14.735 5.755 1.00 62.05 H new ATOM 0 HE2 PHE A 81 12.717 -11.547 8.368 1.00 71.25 H new ATOM 0 HZ PHE A 81 13.835 -13.707 7.994 1.00 11.13 H new ATOM 1235 N PHE A 82 8.325 -10.873 4.848 1.00 44.14 N ATOM 1236 CA PHE A 82 7.257 -10.823 5.836 1.00 34.43 C ATOM 1237 C PHE A 82 6.089 -11.705 5.400 1.00 14.40 C ATOM 1238 O PHE A 82 5.386 -12.275 6.236 1.00 72.15 O ATOM 1239 CB PHE A 82 6.795 -9.371 6.018 1.00 70.31 C ATOM 1240 CG PHE A 82 5.571 -9.209 6.884 1.00 51.24 C ATOM 1241 CD1 PHE A 82 5.674 -9.239 8.263 1.00 50.15 C ATOM 1242 CD2 PHE A 82 4.322 -9.019 6.311 1.00 52.03 C ATOM 1243 CE1 PHE A 82 4.552 -9.088 9.058 1.00 0.52 C ATOM 1244 CE2 PHE A 82 3.197 -8.869 7.099 1.00 12.50 C ATOM 1245 CZ PHE A 82 3.313 -8.902 8.475 1.00 34.43 C ATOM 0 H PHE A 82 8.458 -10.003 4.332 1.00 44.14 H new ATOM 0 HA PHE A 82 7.631 -11.199 6.788 1.00 34.43 H new ATOM 0 HB2 PHE A 82 7.612 -8.795 6.453 1.00 70.31 H new ATOM 0 HB3 PHE A 82 6.590 -8.942 5.037 1.00 70.31 H new ATOM 0 HD1 PHE A 82 6.640 -9.382 8.724 1.00 50.15 H new ATOM 0 HD2 PHE A 82 4.228 -8.988 5.236 1.00 52.03 H new ATOM 0 HE1 PHE A 82 4.644 -9.115 10.134 1.00 0.52 H new ATOM 0 HE2 PHE A 82 2.230 -8.726 6.640 1.00 12.50 H new ATOM 0 HZ PHE A 82 2.436 -8.783 9.094 1.00 34.43 H new ATOM 1255 N SER A 83 5.913 -11.817 4.083 1.00 5.31 N ATOM 1256 CA SER A 83 4.810 -12.559 3.482 1.00 13.21 C ATOM 1257 C SER A 83 3.484 -11.874 3.801 1.00 51.43 C ATOM 1258 O SER A 83 2.861 -12.136 4.829 1.00 53.45 O ATOM 1259 CB SER A 83 4.799 -14.022 3.948 1.00 34.24 C ATOM 1260 OG SER A 83 3.817 -14.781 3.257 1.00 4.42 O ATOM 0 H SER A 83 6.539 -11.391 3.400 1.00 5.31 H new ATOM 0 HA SER A 83 4.950 -12.564 2.401 1.00 13.21 H new ATOM 0 HB2 SER A 83 5.782 -14.464 3.786 1.00 34.24 H new ATOM 0 HB3 SER A 83 4.604 -14.062 5.020 1.00 34.24 H new ATOM 0 HG SER A 83 3.836 -15.708 3.575 1.00 4.42 H new ATOM 1266 N PRO A 84 3.045 -10.963 2.922 1.00 40.12 N ATOM 1267 CA PRO A 84 1.843 -10.174 3.149 1.00 61.31 C ATOM 1268 C PRO A 84 0.580 -10.919 2.742 1.00 53.52 C ATOM 1269 O PRO A 84 0.618 -11.816 1.898 1.00 54.44 O ATOM 1270 CB PRO A 84 2.071 -8.960 2.255 1.00 33.13 C ATOM 1271 CG PRO A 84 2.869 -9.479 1.106 1.00 34.05 C ATOM 1272 CD PRO A 84 3.676 -10.642 1.629 1.00 0.45 C ATOM 0 HA PRO A 84 1.692 -9.929 4.200 1.00 61.31 H new ATOM 0 HB2 PRO A 84 1.126 -8.532 1.920 1.00 33.13 H new ATOM 0 HB3 PRO A 84 2.607 -8.173 2.785 1.00 33.13 H new ATOM 0 HG2 PRO A 84 2.216 -9.796 0.293 1.00 34.05 H new ATOM 0 HG3 PRO A 84 3.522 -8.703 0.707 1.00 34.05 H new ATOM 0 HD2 PRO A 84 3.641 -11.491 0.946 1.00 0.45 H new ATOM 0 HD3 PRO A 84 4.726 -10.376 1.753 1.00 0.45 H new ATOM 1280 N PHE A 85 -0.534 -10.551 3.351 1.00 25.14 N ATOM 1281 CA PHE A 85 -1.812 -11.148 3.017 1.00 13.43 C ATOM 1282 C PHE A 85 -2.751 -10.084 2.474 1.00 41.34 C ATOM 1283 O PHE A 85 -2.732 -8.939 2.933 1.00 72.13 O ATOM 1284 CB PHE A 85 -2.431 -11.831 4.241 1.00 61.54 C ATOM 1285 CG PHE A 85 -1.573 -12.929 4.813 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -1.472 -14.152 4.172 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -0.871 -12.733 5.991 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -0.687 -15.163 4.696 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -0.084 -13.740 6.519 1.00 34.11 C ATOM 1290 CZ PHE A 85 0.009 -14.956 5.871 1.00 11.55 C ATOM 0 H PHE A 85 -0.577 -9.840 4.081 1.00 25.14 H new ATOM 0 HA PHE A 85 -1.652 -11.907 2.251 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -2.612 -11.082 5.012 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -3.401 -12.245 3.965 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -2.013 -14.319 3.252 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -0.939 -11.784 6.502 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -0.618 -16.113 4.187 1.00 44.23 H new ATOM 0 HE2 PHE A 85 0.458 -13.575 7.438 1.00 34.11 H new ATOM 0 HZ PHE A 85 0.624 -15.743 6.282 1.00 11.55 H new ATOM 1300 N ASP A 86 -3.546 -10.454 1.488 1.00 3.42 N ATOM 1301 CA ASP A 86 -4.487 -9.528 0.879 1.00 2.42 C ATOM 1302 C ASP A 86 -5.689 -9.310 1.787 1.00 25.34 C ATOM 1303 O ASP A 86 -6.673 -10.047 1.731 1.00 61.15 O ATOM 1304 CB ASP A 86 -4.927 -10.045 -0.494 1.00 3.13 C ATOM 1305 CG ASP A 86 -6.004 -9.198 -1.154 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -6.238 -8.047 -0.725 1.00 54.14 O ATOM 1307 OD2 ASP A 86 -6.621 -9.686 -2.125 1.00 24.41 O ATOM 0 H ASP A 86 -3.560 -11.393 1.089 1.00 3.42 H new ATOM 0 HA ASP A 86 -3.990 -8.567 0.741 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -4.058 -10.088 -1.151 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -5.296 -11.065 -0.386 1.00 3.13 H new ATOM 1312 N GLY A 87 -5.582 -8.315 2.652 1.00 10.11 N ATOM 1313 CA GLY A 87 -6.680 -7.973 3.530 1.00 45.22 C ATOM 1314 C GLY A 87 -6.371 -6.756 4.373 1.00 1.13 C ATOM 1315 O GLY A 87 -6.864 -6.627 5.495 1.00 41.14 O ATOM 0 H GLY A 87 -4.750 -7.735 2.762 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -7.575 -7.785 2.936 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -6.901 -8.819 4.181 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.553 -5.859 3.835 1.00 31.33 N ATOM 1320 CA PHE A 88 -5.158 -4.657 4.551 1.00 11.53 C ATOM 1321 C PHE A 88 -5.338 -3.428 3.667 1.00 54.51 C ATOM 1322 O PHE A 88 -5.253 -3.518 2.438 1.00 73.14 O ATOM 1323 CB PHE A 88 -3.701 -4.755 5.010 1.00 10.12 C ATOM 1324 CG PHE A 88 -3.433 -5.896 5.949 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -3.789 -5.808 7.285 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -2.821 -7.055 5.496 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -3.540 -6.856 8.153 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -2.570 -8.104 6.357 1.00 42.11 C ATOM 1329 CZ PHE A 88 -2.928 -8.006 7.688 1.00 40.42 C ATOM 0 H PHE A 88 -5.150 -5.944 2.902 1.00 31.33 H new ATOM 0 HA PHE A 88 -5.797 -4.561 5.429 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -3.061 -4.861 4.134 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -3.421 -3.822 5.499 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -4.266 -4.912 7.653 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -2.537 -7.138 4.457 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -3.823 -6.776 9.192 1.00 1.21 H new ATOM 0 HE2 PHE A 88 -2.094 -9.001 5.990 1.00 42.11 H new ATOM 0 HZ PHE A 88 -2.730 -8.825 8.363 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.595 -2.290 4.290 1.00 4.44 N ATOM 1340 CA ARG A 89 -5.781 -1.046 3.561 1.00 44.43 C ATOM 1341 C ARG A 89 -4.815 0.023 4.056 1.00 21.14 C ATOM 1342 O ARG A 89 -4.637 0.204 5.258 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.226 -0.555 3.700 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.240 -1.431 2.978 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.660 -0.953 3.216 1.00 22.34 C ATOM 1346 NE ARG A 89 -10.634 -1.719 2.436 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.392 -2.691 2.938 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -11.215 -3.096 4.193 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.310 -3.278 2.176 1.00 73.23 N ATOM 0 H ARG A 89 -5.680 -2.202 5.303 1.00 4.44 H new ATOM 0 HA ARG A 89 -5.573 -1.237 2.508 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -7.485 -0.510 4.758 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.294 0.461 3.312 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.029 -1.428 1.909 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.140 -2.461 3.319 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.898 -1.037 4.276 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -9.736 0.103 2.955 1.00 22.34 H new ATOM 0 HE ARG A 89 -10.738 -1.494 1.447 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -10.497 -2.661 4.773 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -11.797 -3.841 4.575 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.433 -2.983 1.207 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -12.891 -4.023 2.560 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.192 0.714 3.116 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.272 1.796 3.426 1.00 60.42 C ATOM 1365 C LEU A 90 -4.008 3.127 3.378 1.00 63.10 C ATOM 1366 O LEU A 90 -4.283 3.658 2.300 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.111 1.814 2.431 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.201 0.586 2.464 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.209 0.630 1.309 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.462 0.506 3.792 1.00 71.34 C ATOM 0 H LEU A 90 -4.309 0.541 2.118 1.00 25.41 H new ATOM 0 HA LEU A 90 -2.872 1.637 4.428 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -2.518 1.917 1.425 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.505 2.700 2.622 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.820 -0.305 2.358 1.00 1.33 H new ATOM 0 HD11 LEU A 90 0.432 -0.251 1.346 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -0.752 0.644 0.364 1.00 62.23 H new ATOM 0 HD13 LEU A 90 0.404 1.528 1.390 1.00 62.23 H new ATOM 0 HD21 LEU A 90 0.181 -0.374 3.798 1.00 71.34 H new ATOM 0 HD22 LEU A 90 0.146 1.401 3.924 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -1.183 0.434 4.606 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.354 3.651 4.541 1.00 42.35 N ATOM 1383 CA HIS A 91 -5.083 4.902 4.609 1.00 54.41 C ATOM 1384 C HIS A 91 -4.110 6.071 4.677 1.00 51.41 C ATOM 1385 O HIS A 91 -3.533 6.351 5.730 1.00 44.02 O ATOM 1386 CB HIS A 91 -6.021 4.907 5.820 1.00 23.42 C ATOM 1387 CG HIS A 91 -7.122 5.922 5.730 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -7.437 6.794 6.752 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -8.008 6.177 4.738 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -8.469 7.537 6.391 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.834 7.182 5.175 1.00 31.53 N ATOM 0 H HIS A 91 -4.142 3.231 5.446 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.688 5.007 3.708 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.461 3.916 5.931 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.436 5.098 6.720 1.00 23.42 H new ATOM 0 HD2 HIS A 91 -8.056 5.681 3.780 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -8.934 8.305 6.991 1.00 43.11 H new ATOM 0 HE2 HIS A 91 -9.605 7.588 4.645 1.00 31.53 H new ATOM 1400 N ILE A 92 -3.913 6.728 3.538 1.00 43.23 N ATOM 1401 CA ILE A 92 -3.015 7.871 3.447 1.00 74.31 C ATOM 1402 C ILE A 92 -3.604 9.054 4.198 1.00 2.34 C ATOM 1403 O ILE A 92 -4.571 9.664 3.745 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.764 8.285 1.979 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -2.313 7.083 1.145 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.725 9.398 1.916 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -2.075 7.408 -0.314 1.00 74.41 C ATOM 0 H ILE A 92 -4.369 6.484 2.659 1.00 43.23 H new ATOM 0 HA ILE A 92 -2.064 7.576 3.891 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.700 8.656 1.561 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.395 6.680 1.572 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -3.068 6.300 1.215 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.557 9.681 0.877 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -2.084 10.263 2.474 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.790 9.048 2.352 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.758 6.508 -0.840 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.997 7.783 -0.758 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -1.298 8.168 -0.395 1.00 74.41 H new ATOM 1419 N ILE A 93 -3.035 9.359 5.351 1.00 30.25 N ATOM 1420 CA ILE A 93 -3.528 10.442 6.183 1.00 61.44 C ATOM 1421 C ILE A 93 -3.036 11.783 5.658 1.00 43.43 C ATOM 1422 O ILE A 93 -1.831 12.006 5.528 1.00 4.40 O ATOM 1423 CB ILE A 93 -3.089 10.269 7.656 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -3.518 8.896 8.180 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -3.677 11.374 8.523 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -5.008 8.651 8.093 1.00 13.41 C ATOM 0 H ILE A 93 -2.227 8.869 5.734 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.617 10.415 6.144 1.00 61.44 H new ATOM 0 HB ILE A 93 -2.002 10.337 7.702 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -2.998 8.122 7.615 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -3.203 8.799 9.219 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -3.357 11.235 9.556 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -3.330 12.343 8.163 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.765 11.336 8.472 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -5.237 7.659 8.482 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -5.535 9.402 8.681 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -5.327 8.715 7.053 1.00 13.41 H new ATOM 1438 N ASP A 94 -3.974 12.661 5.332 1.00 54.11 N ATOM 1439 CA ASP A 94 -3.644 13.996 4.859 1.00 23.43 C ATOM 1440 C ASP A 94 -3.267 14.894 6.030 1.00 11.31 C ATOM 1441 O ASP A 94 -4.135 15.430 6.721 1.00 65.52 O ATOM 1442 CB ASP A 94 -4.821 14.611 4.088 1.00 74.20 C ATOM 1443 CG ASP A 94 -5.080 13.932 2.755 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -4.404 14.290 1.766 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -5.970 13.051 2.688 1.00 74.32 O ATOM 0 H ASP A 94 -4.974 12.470 5.387 1.00 54.11 H new ATOM 0 HA ASP A 94 -2.793 13.914 4.183 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -5.720 14.550 4.701 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -4.623 15.669 3.917 1.00 74.20 H new ATOM 1450 N LEU A 95 -1.974 15.029 6.273 1.00 15.42 N ATOM 1451 CA LEU A 95 -1.480 15.878 7.339 1.00 24.34 C ATOM 1452 C LEU A 95 -0.935 17.177 6.761 1.00 35.53 C ATOM 1453 O LEU A 95 -1.144 17.483 5.587 1.00 25.43 O ATOM 1454 CB LEU A 95 -0.389 15.155 8.143 1.00 72.00 C ATOM 1455 CG LEU A 95 -0.839 13.891 8.877 1.00 64.20 C ATOM 1456 CD1 LEU A 95 0.343 13.234 9.572 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -1.934 14.215 9.883 1.00 15.32 C ATOM 0 H LEU A 95 -1.244 14.556 5.740 1.00 15.42 H new ATOM 0 HA LEU A 95 -2.306 16.109 8.011 1.00 24.34 H new ATOM 0 HB2 LEU A 95 0.422 14.891 7.465 1.00 72.00 H new ATOM 0 HB3 LEU A 95 0.021 15.852 8.874 1.00 72.00 H new ATOM 0 HG LEU A 95 -1.244 13.193 8.144 1.00 64.20 H new ATOM 0 HD11 LEU A 95 0.007 12.336 10.090 1.00 4.42 H new ATOM 0 HD12 LEU A 95 1.097 12.966 8.832 1.00 4.42 H new ATOM 0 HD13 LEU A 95 0.773 13.929 10.293 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -2.240 13.302 10.394 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -1.557 14.931 10.613 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -2.790 14.644 9.363 1.00 15.32 H new ATOM 1469 N ASP A 96 -0.238 17.927 7.591 1.00 53.53 N ATOM 1470 CA ASP A 96 0.316 19.211 7.184 1.00 72.41 C ATOM 1471 C ASP A 96 1.745 19.051 6.677 1.00 64.25 C ATOM 1472 O ASP A 96 2.521 18.252 7.208 1.00 64.22 O ATOM 1473 CB ASP A 96 0.263 20.223 8.337 1.00 32.23 C ATOM 1474 CG ASP A 96 0.972 19.748 9.589 1.00 32.24 C ATOM 1475 OD1 ASP A 96 0.443 18.845 10.269 1.00 24.13 O ATOM 1476 OD2 ASP A 96 2.039 20.299 9.922 1.00 30.34 O ATOM 0 H ASP A 96 -0.039 17.671 8.558 1.00 53.53 H new ATOM 0 HA ASP A 96 -0.295 19.594 6.367 1.00 72.41 H new ATOM 0 HB2 ASP A 96 0.711 21.161 8.008 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -0.779 20.435 8.577 1.00 32.23 H new ATOM 1481 N PRO A 97 2.097 19.801 5.622 1.00 72.52 N ATOM 1482 CA PRO A 97 3.399 19.726 4.983 1.00 65.44 C ATOM 1483 C PRO A 97 4.413 20.684 5.604 1.00 62.20 C ATOM 1484 O PRO A 97 5.144 20.263 6.525 1.00 37.47 O ATOM 1485 CB PRO A 97 3.101 20.129 3.530 1.00 10.14 C ATOM 1486 CG PRO A 97 1.705 20.689 3.519 1.00 13.31 C ATOM 1487 CD PRO A 97 1.250 20.785 4.950 1.00 73.52 C ATOM 1488 OXT PRO A 97 4.481 21.855 5.165 1.00 37.47 O ATOM 0 HA PRO A 97 3.847 18.738 5.087 1.00 65.44 H new ATOM 0 HB2 PRO A 97 3.819 20.870 3.178 1.00 10.14 H new ATOM 0 HB3 PRO A 97 3.179 19.269 2.865 1.00 10.14 H new ATOM 0 HG2 PRO A 97 1.688 21.670 3.044 1.00 13.31 H new ATOM 0 HG3 PRO A 97 1.037 20.046 2.946 1.00 13.31 H new ATOM 0 HD2 PRO A 97 1.394 21.787 5.354 1.00 73.52 H new ATOM 0 HD3 PRO A 97 0.191 20.548 5.055 1.00 73.52 H new TER 1496 PRO A 97