USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 770 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 75 THR OG1 : rot -145:sc= 1.66 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.0534 X(o=1.6,f=1.6) USER MOD Set 2.1: A 52 ASN : amide:sc= 0.0446 K(o=0.46,f=-3.3!) USER MOD Set 2.2: A 54 CYS SG : rot -0:sc= 0.417 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -109:sc= 0.946 (180deg=0) USER MOD Set 3.2: A 35 THR OG1 : rot 155:sc= 0.846 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.736 (180deg=-1.95!) USER MOD Single : A 12 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-5.3) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 159:sc= -1.79 (180deg=-3.53!) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.234 (180deg=-1.25) USER MOD Single : A 27 ASN : amide:sc= -0.697 K(o=-0.7,f=-3.4) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 39:sc= 0.53 USER MOD Single : A 42 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.0207 K(o=0.021,f=-1.3) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -91:sc= 1.57 USER MOD Single : A 63 SER OG : rot -123:sc= -0.68 USER MOD Single : A 67 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-4.6!) USER MOD Single : A 72 CYS SG : rot 180:sc=-0.00121 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.451) USER MOD Single : A 80 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.07) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0.0245 USER MOD Single : A 98 SER OG : rot 33:sc= 0.242 USER MOD Single : A 99 THR OG1 : rot 46:sc= 1.1 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.981 -5.850 19.496 1.00 0.00 N ATOM 2 CA GLY A 1 18.413 -5.994 18.168 1.00 0.00 C ATOM 3 C GLY A 1 19.362 -6.675 17.202 1.00 0.00 C ATOM 4 O GLY A 1 19.735 -7.831 17.399 1.00 0.00 O ATOM 0 H1 GLY A 1 18.294 -5.379 20.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.209 -6.789 19.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.848 -5.278 19.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.490 -6.570 18.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.149 -5.010 17.780 1.00 0.00 H new ATOM 8 N SER A 2 19.754 -5.956 16.155 1.00 0.00 N ATOM 9 CA SER A 2 20.661 -6.500 15.151 1.00 0.00 C ATOM 10 C SER A 2 22.034 -6.780 15.755 1.00 0.00 C ATOM 11 O SER A 2 22.631 -5.915 16.395 1.00 0.00 O ATOM 12 CB SER A 2 20.797 -5.529 13.976 1.00 0.00 C ATOM 13 OG SER A 2 19.722 -5.677 13.065 1.00 0.00 O ATOM 0 H SER A 2 19.458 -4.996 15.980 1.00 0.00 H new ATOM 0 HA SER A 2 20.243 -7.440 14.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.824 -4.505 14.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.741 -5.706 13.461 1.00 0.00 H new ATOM 0 HG SER A 2 19.831 -5.044 12.324 1.00 0.00 H new ATOM 19 N SER A 3 22.528 -7.996 15.546 1.00 0.00 N ATOM 20 CA SER A 3 23.829 -8.394 16.072 1.00 0.00 C ATOM 21 C SER A 3 24.950 -7.605 15.403 1.00 0.00 C ATOM 22 O SER A 3 25.521 -8.043 14.404 1.00 0.00 O ATOM 23 CB SER A 3 24.050 -9.893 15.865 1.00 0.00 C ATOM 24 OG SER A 3 25.185 -10.346 16.583 1.00 0.00 O ATOM 0 H SER A 3 22.047 -8.723 15.016 1.00 0.00 H new ATOM 0 HA SER A 3 23.843 -8.177 17.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.167 -10.442 16.191 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.181 -10.101 14.803 1.00 0.00 H new ATOM 0 HG SER A 3 25.303 -11.308 16.435 1.00 0.00 H new ATOM 30 N GLY A 4 25.260 -6.439 15.960 1.00 0.00 N ATOM 31 CA GLY A 4 26.311 -5.607 15.405 1.00 0.00 C ATOM 32 C GLY A 4 25.885 -4.910 14.128 1.00 0.00 C ATOM 33 O GLY A 4 24.708 -4.929 13.765 1.00 0.00 O ATOM 0 H GLY A 4 24.802 -6.055 16.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.606 -4.860 16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.189 -6.221 15.205 1.00 0.00 H new ATOM 37 N SER A 5 26.843 -4.291 13.445 1.00 0.00 N ATOM 38 CA SER A 5 26.559 -3.579 12.205 1.00 0.00 C ATOM 39 C SER A 5 26.145 -4.551 11.104 1.00 0.00 C ATOM 40 O SER A 5 26.409 -5.750 11.187 1.00 0.00 O ATOM 41 CB SER A 5 27.784 -2.778 11.760 1.00 0.00 C ATOM 42 OG SER A 5 27.541 -2.113 10.532 1.00 0.00 O ATOM 0 H SER A 5 27.822 -4.268 13.730 1.00 0.00 H new ATOM 0 HA SER A 5 25.733 -2.892 12.390 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.043 -2.048 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.639 -3.445 11.653 1.00 0.00 H new ATOM 0 HG SER A 5 28.339 -1.607 10.271 1.00 0.00 H new ATOM 48 N SER A 6 25.494 -4.023 10.072 1.00 0.00 N ATOM 49 CA SER A 6 25.039 -4.843 8.955 1.00 0.00 C ATOM 50 C SER A 6 26.198 -5.179 8.021 1.00 0.00 C ATOM 51 O SER A 6 26.386 -6.332 7.636 1.00 0.00 O ATOM 52 CB SER A 6 23.937 -4.120 8.179 1.00 0.00 C ATOM 53 OG SER A 6 24.378 -2.850 7.731 1.00 0.00 O ATOM 0 H SER A 6 25.270 -3.032 9.986 1.00 0.00 H new ATOM 0 HA SER A 6 24.638 -5.773 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.633 -4.725 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.059 -4.000 8.814 1.00 0.00 H new ATOM 0 HG SER A 6 23.656 -2.409 7.236 1.00 0.00 H new ATOM 59 N GLY A 7 26.972 -4.161 7.659 1.00 0.00 N ATOM 60 CA GLY A 7 28.103 -4.367 6.772 1.00 0.00 C ATOM 61 C GLY A 7 27.747 -4.139 5.317 1.00 0.00 C ATOM 62 O GLY A 7 28.410 -3.369 4.621 1.00 0.00 O ATOM 0 H GLY A 7 26.837 -3.197 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.911 -3.692 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.478 -5.383 6.896 1.00 0.00 H new ATOM 66 N VAL A 8 26.698 -4.811 4.853 1.00 0.00 N ATOM 67 CA VAL A 8 26.256 -4.678 3.470 1.00 0.00 C ATOM 68 C VAL A 8 25.094 -3.697 3.356 1.00 0.00 C ATOM 69 O VAL A 8 24.217 -3.653 4.219 1.00 0.00 O ATOM 70 CB VAL A 8 25.825 -6.037 2.886 1.00 0.00 C ATOM 71 CG1 VAL A 8 24.633 -6.593 3.650 1.00 0.00 C ATOM 72 CG2 VAL A 8 25.503 -5.901 1.405 1.00 0.00 C ATOM 0 H VAL A 8 26.139 -5.453 5.415 1.00 0.00 H new ATOM 0 HA VAL A 8 27.105 -4.299 2.901 1.00 0.00 H new ATOM 0 HB VAL A 8 26.653 -6.738 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.343 -7.553 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.903 -6.728 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 8 23.798 -5.897 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 8 25.200 -6.870 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.691 -5.185 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 8 26.386 -5.550 0.871 1.00 0.00 H new ATOM 82 N LYS A 9 25.095 -2.910 2.285 1.00 0.00 N ATOM 83 CA LYS A 9 24.040 -1.930 2.056 1.00 0.00 C ATOM 84 C LYS A 9 23.379 -2.149 0.699 1.00 0.00 C ATOM 85 O LYS A 9 24.017 -2.559 -0.271 1.00 0.00 O ATOM 86 CB LYS A 9 24.609 -0.511 2.134 1.00 0.00 C ATOM 87 CG LYS A 9 25.304 -0.206 3.450 1.00 0.00 C ATOM 88 CD LYS A 9 26.754 -0.663 3.433 1.00 0.00 C ATOM 89 CE LYS A 9 27.666 0.400 2.841 1.00 0.00 C ATOM 90 NZ LYS A 9 27.627 0.398 1.352 1.00 0.00 N ATOM 0 H LYS A 9 25.814 -2.932 1.562 1.00 0.00 H new ATOM 0 HA LYS A 9 23.286 -2.057 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.316 -0.367 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.800 0.204 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.261 0.865 3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.775 -0.700 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.075 -0.895 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.840 -1.582 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.368 1.381 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.689 0.230 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.550 0.699 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.413 -0.561 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.891 1.055 1.023 1.00 0.00 H new ATOM 104 N PRO A 10 22.069 -1.870 0.626 1.00 0.00 N ATOM 105 CA PRO A 10 21.294 -2.028 -0.608 1.00 0.00 C ATOM 106 C PRO A 10 21.672 -0.998 -1.667 1.00 0.00 C ATOM 107 O PRO A 10 22.310 0.016 -1.381 1.00 0.00 O ATOM 108 CB PRO A 10 19.849 -1.816 -0.149 1.00 0.00 C ATOM 109 CG PRO A 10 19.960 -0.971 1.074 1.00 0.00 C ATOM 110 CD PRO A 10 21.244 -1.378 1.742 1.00 0.00 C ATOM 0 HA PRO A 10 21.470 -2.996 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.257 -1.322 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.359 -2.765 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.972 0.088 0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.108 -1.128 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.716 -0.537 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.079 -2.152 2.491 1.00 0.00 H new ATOM 118 N PRO A 11 21.272 -1.260 -2.919 1.00 0.00 N ATOM 119 CA PRO A 11 21.558 -0.367 -4.046 1.00 0.00 C ATOM 120 C PRO A 11 20.773 0.938 -3.964 1.00 0.00 C ATOM 121 O PRO A 11 21.325 2.020 -4.168 1.00 0.00 O ATOM 122 CB PRO A 11 21.116 -1.181 -5.265 1.00 0.00 C ATOM 123 CG PRO A 11 20.090 -2.124 -4.739 1.00 0.00 C ATOM 124 CD PRO A 11 20.508 -2.450 -3.333 1.00 0.00 C ATOM 0 HA PRO A 11 22.606 -0.068 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.702 -0.538 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.955 -1.716 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.099 -1.671 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.039 -3.025 -5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.647 -2.619 -2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 11 21.118 -3.353 -3.294 1.00 0.00 H new ATOM 132 N HIS A 12 19.483 0.830 -3.664 1.00 0.00 N ATOM 133 CA HIS A 12 18.622 2.002 -3.554 1.00 0.00 C ATOM 134 C HIS A 12 17.984 2.080 -2.170 1.00 0.00 C ATOM 135 O HIS A 12 17.562 3.148 -1.730 1.00 0.00 O ATOM 136 CB HIS A 12 17.535 1.966 -4.629 1.00 0.00 C ATOM 137 CG HIS A 12 16.984 0.595 -4.877 1.00 0.00 C ATOM 138 ND1 HIS A 12 16.322 -0.135 -3.913 1.00 0.00 N ATOM 139 CD2 HIS A 12 16.998 -0.176 -5.989 1.00 0.00 C ATOM 140 CE1 HIS A 12 15.954 -1.298 -4.421 1.00 0.00 C ATOM 141 NE2 HIS A 12 16.352 -1.348 -5.679 1.00 0.00 N ATOM 0 H HIS A 12 19.011 -0.058 -3.493 1.00 0.00 H new ATOM 0 HA HIS A 12 19.238 2.889 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.721 2.628 -4.333 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.943 2.359 -5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.435 0.082 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.419 -2.076 -3.896 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.204 -2.130 -6.317 1.00 0.00 H new ATOM 150 N GLY A 13 17.916 0.940 -1.490 1.00 0.00 N ATOM 151 CA GLY A 13 17.327 0.901 -0.164 1.00 0.00 C ATOM 152 C GLY A 13 16.121 -0.014 -0.092 1.00 0.00 C ATOM 153 O GLY A 13 16.074 -0.928 0.731 1.00 0.00 O ATOM 0 H GLY A 13 18.258 0.043 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.076 0.566 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.033 1.909 0.129 1.00 0.00 H new ATOM 157 N PHE A 14 15.141 0.232 -0.956 1.00 0.00 N ATOM 158 CA PHE A 14 13.927 -0.575 -0.985 1.00 0.00 C ATOM 159 C PHE A 14 14.243 -2.042 -0.707 1.00 0.00 C ATOM 160 O PHE A 14 15.317 -2.533 -1.053 1.00 0.00 O ATOM 161 CB PHE A 14 13.232 -0.440 -2.342 1.00 0.00 C ATOM 162 CG PHE A 14 12.475 0.847 -2.501 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.143 2.032 -2.763 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.094 0.871 -2.389 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.449 3.218 -2.911 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.394 2.054 -2.537 1.00 0.00 C ATOM 167 CZ PHE A 14 11.072 3.229 -2.796 1.00 0.00 C ATOM 0 H PHE A 14 15.164 0.984 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 14 13.259 -0.211 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.979 -0.513 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.545 -1.276 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.219 2.029 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.559 -0.044 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.982 4.135 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.318 2.059 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.527 4.155 -2.908 1.00 0.00 H new ATOM 177 N GLN A 15 13.299 -2.735 -0.079 1.00 0.00 N ATOM 178 CA GLN A 15 13.476 -4.145 0.248 1.00 0.00 C ATOM 179 C GLN A 15 12.379 -4.993 -0.387 1.00 0.00 C ATOM 180 O GLN A 15 11.371 -4.470 -0.862 1.00 0.00 O ATOM 181 CB GLN A 15 13.476 -4.343 1.765 1.00 0.00 C ATOM 182 CG GLN A 15 14.630 -3.649 2.469 1.00 0.00 C ATOM 183 CD GLN A 15 14.442 -3.581 3.972 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.093 -2.535 4.519 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.673 -4.701 4.648 1.00 0.00 N ATOM 0 H GLN A 15 12.404 -2.343 0.214 1.00 0.00 H new ATOM 0 HA GLN A 15 14.437 -4.467 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.536 -3.970 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.517 -5.410 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.557 -4.178 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.736 -2.639 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.961 -5.545 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.563 -4.717 5.662 1.00 0.00 H new ATOM 194 N LYS A 16 12.582 -6.306 -0.394 1.00 0.00 N ATOM 195 CA LYS A 16 11.611 -7.228 -0.970 1.00 0.00 C ATOM 196 C LYS A 16 10.590 -7.667 0.076 1.00 0.00 C ATOM 197 O LYS A 16 10.898 -7.743 1.265 1.00 0.00 O ATOM 198 CB LYS A 16 12.322 -8.454 -1.549 1.00 0.00 C ATOM 199 CG LYS A 16 12.832 -8.248 -2.965 1.00 0.00 C ATOM 200 CD LYS A 16 14.072 -9.083 -3.237 1.00 0.00 C ATOM 201 CE LYS A 16 14.193 -9.436 -4.712 1.00 0.00 C ATOM 202 NZ LYS A 16 15.560 -9.915 -5.057 1.00 0.00 N ATOM 0 H LYS A 16 13.411 -6.756 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 16 11.085 -6.708 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.161 -8.716 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.636 -9.301 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.050 -8.513 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.061 -7.194 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.959 -8.534 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.034 -9.997 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.464 -10.207 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.951 -8.561 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.602 -10.145 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.253 -9.170 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.781 -10.765 -4.500 1.00 0.00 H new ATOM 216 N LYS A 17 9.374 -7.955 -0.376 1.00 0.00 N ATOM 217 CA LYS A 17 8.308 -8.388 0.519 1.00 0.00 C ATOM 218 C LYS A 17 7.865 -7.248 1.431 1.00 0.00 C ATOM 219 O LYS A 17 7.387 -7.479 2.541 1.00 0.00 O ATOM 220 CB LYS A 17 8.774 -9.577 1.362 1.00 0.00 C ATOM 221 CG LYS A 17 9.411 -10.689 0.547 1.00 0.00 C ATOM 222 CD LYS A 17 9.519 -11.976 1.346 1.00 0.00 C ATOM 223 CE LYS A 17 9.617 -13.191 0.436 1.00 0.00 C ATOM 224 NZ LYS A 17 10.085 -14.399 1.172 1.00 0.00 N ATOM 0 H LYS A 17 9.102 -7.896 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 17 7.458 -8.693 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.491 -9.226 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.921 -9.981 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.820 -10.866 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.403 -10.379 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.396 -11.932 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.650 -12.076 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.642 -13.391 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.303 -12.977 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.139 -15.205 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.026 -14.217 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.417 -14.619 1.938 1.00 0.00 H new ATOM 238 N MET A 18 8.028 -6.018 0.954 1.00 0.00 N ATOM 239 CA MET A 18 7.642 -4.842 1.726 1.00 0.00 C ATOM 240 C MET A 18 6.388 -4.198 1.144 1.00 0.00 C ATOM 241 O MET A 18 5.837 -4.672 0.150 1.00 0.00 O ATOM 242 CB MET A 18 8.785 -3.826 1.753 1.00 0.00 C ATOM 243 CG MET A 18 9.085 -3.211 0.396 1.00 0.00 C ATOM 244 SD MET A 18 8.174 -1.682 0.110 1.00 0.00 S ATOM 245 CE MET A 18 9.517 -0.502 0.005 1.00 0.00 C ATOM 0 H MET A 18 8.424 -5.810 0.038 1.00 0.00 H new ATOM 0 HA MET A 18 7.426 -5.162 2.745 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.537 -3.031 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.685 -4.314 2.128 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.154 -3.012 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.838 -3.928 -0.386 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.178 0.389 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.839 -0.227 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.352 -0.948 -0.535 1.00 0.00 H new ATOM 255 N LYS A 19 5.940 -3.115 1.770 1.00 0.00 N ATOM 256 CA LYS A 19 4.751 -2.404 1.315 1.00 0.00 C ATOM 257 C LYS A 19 5.072 -0.944 1.011 1.00 0.00 C ATOM 258 O LYS A 19 5.804 -0.291 1.757 1.00 0.00 O ATOM 259 CB LYS A 19 3.647 -2.485 2.372 1.00 0.00 C ATOM 260 CG LYS A 19 3.011 -3.860 2.482 1.00 0.00 C ATOM 261 CD LYS A 19 2.290 -4.245 1.201 1.00 0.00 C ATOM 262 CE LYS A 19 1.107 -5.160 1.480 1.00 0.00 C ATOM 263 NZ LYS A 19 0.760 -5.995 0.297 1.00 0.00 N ATOM 0 H LYS A 19 6.383 -2.710 2.595 1.00 0.00 H new ATOM 0 HA LYS A 19 4.403 -2.880 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.062 -2.207 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.874 -1.754 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.779 -4.600 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.307 -3.871 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.943 -3.345 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.986 -4.744 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.340 -5.807 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.243 -4.560 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.139 -5.665 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.513 -5.916 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.663 -6.988 0.590 1.00 0.00 H new ATOM 277 N LEU A 20 4.521 -0.438 -0.086 1.00 0.00 N ATOM 278 CA LEU A 20 4.748 0.947 -0.487 1.00 0.00 C ATOM 279 C LEU A 20 3.606 1.454 -1.362 1.00 0.00 C ATOM 280 O LEU A 20 3.098 0.730 -2.217 1.00 0.00 O ATOM 281 CB LEU A 20 6.074 1.069 -1.239 1.00 0.00 C ATOM 282 CG LEU A 20 5.997 0.947 -2.761 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.759 2.309 -3.394 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.268 0.316 -3.311 1.00 0.00 C ATOM 0 H LEU A 20 3.914 -0.965 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 20 4.790 1.559 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.520 2.033 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.752 0.301 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 20 5.156 0.300 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.707 2.203 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.821 2.723 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.578 2.979 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.195 0.237 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.125 0.936 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.395 -0.678 -2.883 1.00 0.00 H new ATOM 296 N GLU A 21 3.209 2.704 -1.141 1.00 0.00 N ATOM 297 CA GLU A 21 2.128 3.308 -1.911 1.00 0.00 C ATOM 298 C GLU A 21 2.636 3.815 -3.257 1.00 0.00 C ATOM 299 O GLU A 21 3.466 4.723 -3.318 1.00 0.00 O ATOM 300 CB GLU A 21 1.494 4.459 -1.126 1.00 0.00 C ATOM 301 CG GLU A 21 0.718 4.005 0.099 1.00 0.00 C ATOM 302 CD GLU A 21 -0.013 5.145 0.782 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.080 6.244 0.193 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.518 4.937 1.905 1.00 0.00 O ATOM 0 H GLU A 21 3.619 3.317 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 21 1.374 2.542 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.277 5.150 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.825 5.012 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.002 3.241 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.404 3.542 0.808 1.00 0.00 H new ATOM 311 N VAL A 22 2.132 3.223 -4.335 1.00 0.00 N ATOM 312 CA VAL A 22 2.533 3.614 -5.681 1.00 0.00 C ATOM 313 C VAL A 22 1.413 4.364 -6.392 1.00 0.00 C ATOM 314 O VAL A 22 0.251 3.961 -6.340 1.00 0.00 O ATOM 315 CB VAL A 22 2.934 2.390 -6.525 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.254 2.807 -7.953 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.116 1.671 -5.893 1.00 0.00 C ATOM 0 H VAL A 22 1.445 2.470 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 22 3.396 4.271 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 22 2.091 1.699 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.535 1.929 -8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.377 3.273 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.080 3.518 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.386 0.809 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.965 2.352 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.845 1.337 -4.891 1.00 0.00 H new ATOM 327 N VAL A 23 1.770 5.457 -7.058 1.00 0.00 N ATOM 328 CA VAL A 23 0.795 6.264 -7.783 1.00 0.00 C ATOM 329 C VAL A 23 0.486 5.658 -9.147 1.00 0.00 C ATOM 330 O VAL A 23 1.384 5.451 -9.963 1.00 0.00 O ATOM 331 CB VAL A 23 1.294 7.708 -7.975 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.359 8.478 -8.896 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.427 8.409 -6.632 1.00 0.00 C ATOM 0 H VAL A 23 2.728 5.805 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.114 6.279 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 23 2.279 7.674 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.728 9.496 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.319 7.986 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.640 8.504 -8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.781 9.428 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.456 8.433 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.139 7.869 -6.009 1.00 0.00 H new ATOM 343 N ASP A 24 -0.790 5.378 -9.389 1.00 0.00 N ATOM 344 CA ASP A 24 -1.218 4.797 -10.656 1.00 0.00 C ATOM 345 C ASP A 24 -0.877 5.722 -11.820 1.00 0.00 C ATOM 346 O ASP A 24 -1.201 6.910 -11.800 1.00 0.00 O ATOM 347 CB ASP A 24 -2.722 4.520 -10.632 1.00 0.00 C ATOM 348 CG ASP A 24 -3.125 3.427 -11.602 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.234 2.684 -12.063 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.333 3.315 -11.900 1.00 0.00 O ATOM 0 H ASP A 24 -1.546 5.544 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.685 3.856 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.020 4.234 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.261 5.435 -10.876 1.00 0.00 H new ATOM 355 N LYS A 25 -0.221 5.170 -12.835 1.00 0.00 N ATOM 356 CA LYS A 25 0.165 5.944 -14.009 1.00 0.00 C ATOM 357 C LYS A 25 -1.065 6.474 -14.739 1.00 0.00 C ATOM 358 O LYS A 25 -1.185 7.675 -14.980 1.00 0.00 O ATOM 359 CB LYS A 25 1.004 5.085 -14.958 1.00 0.00 C ATOM 360 CG LYS A 25 2.068 4.261 -14.254 1.00 0.00 C ATOM 361 CD LYS A 25 3.038 5.144 -13.486 1.00 0.00 C ATOM 362 CE LYS A 25 3.609 4.421 -12.275 1.00 0.00 C ATOM 363 NZ LYS A 25 4.124 5.374 -11.253 1.00 0.00 N ATOM 0 H LYS A 25 0.055 4.189 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 25 0.761 6.793 -13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.343 4.415 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.484 5.732 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.592 3.559 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.616 3.669 -14.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.851 5.452 -14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.528 6.051 -13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.838 3.793 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.415 3.759 -12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.171 4.900 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.075 5.696 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.486 6.193 -11.190 1.00 0.00 H new ATOM 377 N ARG A 26 -1.976 5.571 -15.087 1.00 0.00 N ATOM 378 CA ARG A 26 -3.197 5.949 -15.789 1.00 0.00 C ATOM 379 C ARG A 26 -3.976 6.997 -14.999 1.00 0.00 C ATOM 380 O ARG A 26 -4.651 7.848 -15.576 1.00 0.00 O ATOM 381 CB ARG A 26 -4.074 4.719 -16.029 1.00 0.00 C ATOM 382 CG ARG A 26 -3.882 3.623 -14.994 1.00 0.00 C ATOM 383 CD ARG A 26 -2.842 2.608 -15.444 1.00 0.00 C ATOM 384 NE ARG A 26 -1.815 3.213 -16.287 1.00 0.00 N ATOM 385 CZ ARG A 26 -0.709 2.583 -16.665 1.00 0.00 C ATOM 386 NH1 ARG A 26 -0.488 1.334 -16.278 1.00 0.00 N ATOM 387 NH2 ARG A 26 0.179 3.201 -17.434 1.00 0.00 N ATOM 0 H ARG A 26 -1.892 4.573 -14.894 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.916 6.379 -16.750 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.120 5.024 -16.033 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.856 4.315 -17.018 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.574 4.066 -14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.832 3.118 -14.816 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.373 2.157 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.334 1.804 -15.992 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.955 4.173 -16.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.169 0.855 -15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.363 0.853 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.012 4.161 -17.735 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.028 2.716 -17.724 1.00 0.00 H new ATOM 401 N ASN A 27 -3.877 6.927 -13.676 1.00 0.00 N ATOM 402 CA ASN A 27 -4.574 7.868 -12.806 1.00 0.00 C ATOM 403 C ASN A 27 -3.652 8.372 -11.700 1.00 0.00 C ATOM 404 O ASN A 27 -3.510 7.752 -10.646 1.00 0.00 O ATOM 405 CB ASN A 27 -5.812 7.210 -12.194 1.00 0.00 C ATOM 406 CG ASN A 27 -6.702 6.566 -13.240 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.300 5.618 -13.915 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.918 7.081 -13.379 1.00 0.00 N ATOM 0 H ASN A 27 -3.321 6.229 -13.182 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.886 8.720 -13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.500 6.455 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.384 7.958 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.562 6.690 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.208 7.867 -12.798 1.00 0.00 H new ATOM 415 N PRO A 28 -3.009 9.524 -11.944 1.00 0.00 N ATOM 416 CA PRO A 28 -2.091 10.137 -10.980 1.00 0.00 C ATOM 417 C PRO A 28 -2.816 10.687 -9.757 1.00 0.00 C ATOM 418 O PRO A 28 -2.186 11.148 -8.805 1.00 0.00 O ATOM 419 CB PRO A 28 -1.448 11.275 -11.777 1.00 0.00 C ATOM 420 CG PRO A 28 -2.446 11.609 -12.831 1.00 0.00 C ATOM 421 CD PRO A 28 -3.131 10.316 -13.179 1.00 0.00 C ATOM 0 HA PRO A 28 -1.375 9.417 -10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.240 12.136 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.499 10.965 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.164 12.345 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.960 12.041 -13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.174 10.475 -13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.651 9.821 -14.023 1.00 0.00 H new ATOM 429 N MET A 29 -4.144 10.633 -9.788 1.00 0.00 N ATOM 430 CA MET A 29 -4.954 11.125 -8.680 1.00 0.00 C ATOM 431 C MET A 29 -5.429 9.973 -7.800 1.00 0.00 C ATOM 432 O MET A 29 -6.267 10.157 -6.917 1.00 0.00 O ATOM 433 CB MET A 29 -6.158 11.908 -9.208 1.00 0.00 C ATOM 434 CG MET A 29 -5.870 13.382 -9.441 1.00 0.00 C ATOM 435 SD MET A 29 -7.328 14.299 -9.974 1.00 0.00 S ATOM 436 CE MET A 29 -6.836 14.788 -11.625 1.00 0.00 C ATOM 0 H MET A 29 -4.681 10.254 -10.568 1.00 0.00 H new ATOM 0 HA MET A 29 -4.334 11.788 -8.077 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.491 11.459 -10.144 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.981 11.815 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.485 13.823 -8.522 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.088 13.481 -10.194 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.637 15.365 -12.087 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.934 15.397 -11.570 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.638 13.899 -12.224 1.00 0.00 H new ATOM 446 N PHE A 30 -4.888 8.784 -8.047 1.00 0.00 N ATOM 447 CA PHE A 30 -5.257 7.602 -7.278 1.00 0.00 C ATOM 448 C PHE A 30 -4.016 6.840 -6.823 1.00 0.00 C ATOM 449 O PHE A 30 -3.072 6.654 -7.591 1.00 0.00 O ATOM 450 CB PHE A 30 -6.155 6.685 -8.112 1.00 0.00 C ATOM 451 CG PHE A 30 -7.597 7.103 -8.119 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.994 8.258 -8.775 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.557 6.342 -7.471 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.321 8.645 -8.783 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.885 6.725 -7.476 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.267 7.877 -8.133 1.00 0.00 C ATOM 0 H PHE A 30 -4.193 8.614 -8.774 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.805 7.930 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.786 6.664 -9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.082 5.668 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.258 8.862 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.264 5.439 -6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.618 9.547 -9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.623 6.123 -6.966 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.304 8.177 -8.139 1.00 0.00 H new ATOM 466 N ILE A 31 -4.026 6.401 -5.568 1.00 0.00 N ATOM 467 CA ILE A 31 -2.902 5.659 -5.010 1.00 0.00 C ATOM 468 C ILE A 31 -3.370 4.367 -4.350 1.00 0.00 C ATOM 469 O ILE A 31 -4.445 4.318 -3.751 1.00 0.00 O ATOM 470 CB ILE A 31 -2.130 6.500 -3.976 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.507 7.726 -4.647 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.059 5.657 -3.301 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.376 8.918 -3.725 1.00 0.00 C ATOM 0 H ILE A 31 -4.800 6.546 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.238 5.420 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.829 6.843 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.520 7.460 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.114 8.007 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.522 6.265 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.526 4.813 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.360 5.288 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.927 9.750 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.363 9.210 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.744 8.654 -2.877 1.00 0.00 H new ATOM 485 N ARG A 32 -2.556 3.323 -4.462 1.00 0.00 N ATOM 486 CA ARG A 32 -2.886 2.030 -3.876 1.00 0.00 C ATOM 487 C ARG A 32 -1.642 1.362 -3.296 1.00 0.00 C ATOM 488 O ARG A 32 -0.516 1.708 -3.652 1.00 0.00 O ATOM 489 CB ARG A 32 -3.525 1.118 -4.925 1.00 0.00 C ATOM 490 CG ARG A 32 -4.932 1.535 -5.318 1.00 0.00 C ATOM 491 CD ARG A 32 -5.596 0.491 -6.203 1.00 0.00 C ATOM 492 NE ARG A 32 -6.811 1.001 -6.834 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.808 1.828 -7.873 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.660 2.237 -8.395 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.955 2.248 -8.392 1.00 0.00 N ATOM 0 H ARG A 32 -1.663 3.347 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.598 2.197 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.896 1.106 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.551 0.099 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.532 1.687 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.896 2.489 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.895 0.170 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.839 -0.388 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.711 0.706 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.777 1.916 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.660 2.872 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.840 1.936 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.951 2.883 -9.190 1.00 0.00 H new ATOM 509 N VAL A 33 -1.855 0.404 -2.400 1.00 0.00 N ATOM 510 CA VAL A 33 -0.752 -0.313 -1.770 1.00 0.00 C ATOM 511 C VAL A 33 0.014 -1.148 -2.790 1.00 0.00 C ATOM 512 O VAL A 33 -0.568 -1.677 -3.737 1.00 0.00 O ATOM 513 CB VAL A 33 -1.252 -1.233 -0.641 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.185 -2.252 -0.271 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.660 -0.412 0.573 1.00 0.00 C ATOM 0 H VAL A 33 -2.781 0.106 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.086 0.439 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.129 -1.774 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.556 -2.893 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.055 -2.861 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.712 -1.733 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.011 -1.078 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.802 0.156 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.460 0.275 0.296 1.00 0.00 H new ATOM 525 N ALA A 34 1.323 -1.263 -2.590 1.00 0.00 N ATOM 526 CA ALA A 34 2.168 -2.037 -3.491 1.00 0.00 C ATOM 527 C ALA A 34 3.109 -2.950 -2.712 1.00 0.00 C ATOM 528 O ALA A 34 3.255 -2.817 -1.497 1.00 0.00 O ATOM 529 CB ALA A 34 2.962 -1.108 -4.398 1.00 0.00 C ATOM 0 H ALA A 34 1.821 -0.830 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 34 1.522 -2.664 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.589 -1.699 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.275 -0.501 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.592 -0.457 -3.791 1.00 0.00 H new ATOM 535 N THR A 35 3.744 -3.879 -3.420 1.00 0.00 N ATOM 536 CA THR A 35 4.670 -4.816 -2.794 1.00 0.00 C ATOM 537 C THR A 35 5.886 -5.060 -3.680 1.00 0.00 C ATOM 538 O THR A 35 5.766 -5.586 -4.787 1.00 0.00 O ATOM 539 CB THR A 35 3.987 -6.164 -2.495 1.00 0.00 C ATOM 540 OG1 THR A 35 2.767 -5.946 -1.777 1.00 0.00 O ATOM 541 CG2 THR A 35 4.905 -7.066 -1.684 1.00 0.00 C ATOM 0 H THR A 35 3.634 -4.003 -4.426 1.00 0.00 H new ATOM 0 HA THR A 35 4.992 -4.365 -1.856 1.00 0.00 H new ATOM 0 HB THR A 35 3.767 -6.654 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.158 -6.698 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.402 -8.012 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.820 -7.253 -2.246 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.151 -6.580 -0.740 1.00 0.00 H new ATOM 549 N VAL A 36 7.059 -4.677 -3.185 1.00 0.00 N ATOM 550 CA VAL A 36 8.299 -4.857 -3.931 1.00 0.00 C ATOM 551 C VAL A 36 8.580 -6.334 -4.181 1.00 0.00 C ATOM 552 O VAL A 36 9.025 -7.052 -3.286 1.00 0.00 O ATOM 553 CB VAL A 36 9.496 -4.236 -3.187 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.766 -4.368 -4.015 1.00 0.00 C ATOM 555 CG2 VAL A 36 9.217 -2.779 -2.852 1.00 0.00 C ATOM 0 H VAL A 36 7.176 -4.240 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 36 8.171 -4.348 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 36 9.642 -4.778 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.601 -3.924 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.972 -5.422 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.635 -3.853 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.073 -2.356 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.044 -2.221 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.333 -2.714 -2.217 1.00 0.00 H new ATOM 565 N ALA A 37 8.319 -6.782 -5.405 1.00 0.00 N ATOM 566 CA ALA A 37 8.547 -8.174 -5.774 1.00 0.00 C ATOM 567 C ALA A 37 10.005 -8.410 -6.150 1.00 0.00 C ATOM 568 O ALA A 37 10.600 -9.416 -5.763 1.00 0.00 O ATOM 569 CB ALA A 37 7.632 -8.571 -6.923 1.00 0.00 C ATOM 0 H ALA A 37 7.950 -6.201 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 37 8.317 -8.796 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.812 -9.613 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.592 -8.449 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.835 -7.936 -7.786 1.00 0.00 H new ATOM 575 N ASP A 38 10.575 -7.478 -6.906 1.00 0.00 N ATOM 576 CA ASP A 38 11.965 -7.585 -7.334 1.00 0.00 C ATOM 577 C ASP A 38 12.649 -6.222 -7.305 1.00 0.00 C ATOM 578 O ASP A 38 12.098 -5.228 -7.780 1.00 0.00 O ATOM 579 CB ASP A 38 12.043 -8.179 -8.741 1.00 0.00 C ATOM 580 CG ASP A 38 13.387 -8.821 -9.025 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.352 -8.078 -9.305 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.475 -10.065 -8.966 1.00 0.00 O ATOM 0 H ASP A 38 10.096 -6.640 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 38 12.483 -8.246 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.255 -8.923 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.856 -7.394 -9.474 1.00 0.00 H new ATOM 587 N THR A 39 13.854 -6.182 -6.744 1.00 0.00 N ATOM 588 CA THR A 39 14.612 -4.941 -6.652 1.00 0.00 C ATOM 589 C THR A 39 15.791 -4.943 -7.618 1.00 0.00 C ATOM 590 O THR A 39 16.737 -5.714 -7.456 1.00 0.00 O ATOM 591 CB THR A 39 15.136 -4.708 -5.222 1.00 0.00 C ATOM 592 OG1 THR A 39 15.922 -5.828 -4.799 1.00 0.00 O ATOM 593 CG2 THR A 39 13.984 -4.496 -4.251 1.00 0.00 C ATOM 0 H THR A 39 14.325 -6.995 -6.347 1.00 0.00 H new ATOM 0 HA THR A 39 13.929 -4.134 -6.918 1.00 0.00 H new ATOM 0 HB THR A 39 15.756 -3.811 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.465 -6.149 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.379 -4.334 -3.248 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.405 -3.625 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.342 -5.377 -4.250 1.00 0.00 H new ATOM 601 N ASP A 40 15.728 -4.076 -8.622 1.00 0.00 N ATOM 602 CA ASP A 40 16.793 -3.977 -9.615 1.00 0.00 C ATOM 603 C ASP A 40 17.865 -2.990 -9.165 1.00 0.00 C ATOM 604 O ASP A 40 17.808 -2.459 -8.056 1.00 0.00 O ATOM 605 CB ASP A 40 16.220 -3.547 -10.966 1.00 0.00 C ATOM 606 CG ASP A 40 17.043 -4.058 -12.133 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.348 -5.269 -12.159 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.383 -3.247 -13.019 1.00 0.00 O ATOM 0 H ASP A 40 14.951 -3.432 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 40 17.252 -4.960 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.198 -3.914 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.172 -2.459 -11.008 1.00 0.00 H new ATOM 613 N ASP A 41 18.842 -2.750 -10.033 1.00 0.00 N ATOM 614 CA ASP A 41 19.928 -1.826 -9.725 1.00 0.00 C ATOM 615 C ASP A 41 19.382 -0.504 -9.195 1.00 0.00 C ATOM 616 O ASP A 41 19.639 -0.128 -8.051 1.00 0.00 O ATOM 617 CB ASP A 41 20.783 -1.578 -10.969 1.00 0.00 C ATOM 618 CG ASP A 41 21.485 -2.833 -11.448 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.408 -3.300 -10.750 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.111 -3.349 -12.523 1.00 0.00 O ATOM 0 H ASP A 41 18.904 -3.182 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 41 20.549 -2.278 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.152 -1.190 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.526 -0.811 -10.749 1.00 0.00 H new ATOM 625 N HIS A 42 18.630 0.200 -10.036 1.00 0.00 N ATOM 626 CA HIS A 42 18.049 1.481 -9.652 1.00 0.00 C ATOM 627 C HIS A 42 16.537 1.475 -9.856 1.00 0.00 C ATOM 628 O HIS A 42 15.929 2.517 -10.100 1.00 0.00 O ATOM 629 CB HIS A 42 18.679 2.614 -10.463 1.00 0.00 C ATOM 630 CG HIS A 42 20.106 2.359 -10.838 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.170 2.980 -10.218 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.643 1.544 -11.776 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.299 2.559 -10.759 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.007 1.687 -11.707 1.00 0.00 N ATOM 0 H HIS A 42 18.409 -0.095 -10.987 1.00 0.00 H new ATOM 0 HA HIS A 42 18.255 1.643 -8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.095 2.769 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.623 3.537 -9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.100 0.901 -12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.292 2.874 -10.475 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.685 1.199 -12.293 1.00 0.00 H new ATOM 643 N ARG A 43 15.936 0.294 -9.753 1.00 0.00 N ATOM 644 CA ARG A 43 14.495 0.152 -9.928 1.00 0.00 C ATOM 645 C ARG A 43 13.945 -0.953 -9.030 1.00 0.00 C ATOM 646 O ARG A 43 14.703 -1.711 -8.425 1.00 0.00 O ATOM 647 CB ARG A 43 14.165 -0.154 -11.390 1.00 0.00 C ATOM 648 CG ARG A 43 15.022 0.617 -12.381 1.00 0.00 C ATOM 649 CD ARG A 43 14.443 0.551 -13.786 1.00 0.00 C ATOM 650 NE ARG A 43 14.827 -0.675 -14.480 1.00 0.00 N ATOM 651 CZ ARG A 43 14.466 -0.958 -15.727 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.716 -0.106 -16.413 1.00 0.00 N ATOM 653 NH2 ARG A 43 14.856 -2.094 -16.290 1.00 0.00 N ATOM 0 H ARG A 43 16.424 -0.578 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 43 14.025 1.094 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.292 -1.222 -11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.116 0.077 -11.573 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.098 1.658 -12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.033 0.210 -12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.356 0.612 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.783 1.414 -14.359 1.00 0.00 H new ATOM 0 HE ARG A 43 15.404 -1.351 -13.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.415 0.769 -15.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.440 -0.326 -17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.434 -2.751 -15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.578 -2.310 -17.247 1.00 0.00 H new ATOM 667 N VAL A 44 12.621 -1.037 -8.948 1.00 0.00 N ATOM 668 CA VAL A 44 11.969 -2.048 -8.124 1.00 0.00 C ATOM 669 C VAL A 44 10.576 -2.373 -8.653 1.00 0.00 C ATOM 670 O VAL A 44 9.702 -1.507 -8.706 1.00 0.00 O ATOM 671 CB VAL A 44 11.855 -1.590 -6.658 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.236 -1.416 -6.044 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.054 -0.300 -6.564 1.00 0.00 C ATOM 0 H VAL A 44 11.979 -0.417 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 44 12.590 -2.942 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 44 11.328 -2.360 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.135 -1.092 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.771 -2.365 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.792 -0.666 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.983 0.009 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.551 0.480 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.053 -0.464 -6.963 1.00 0.00 H new ATOM 683 N LYS A 45 10.376 -3.627 -9.044 1.00 0.00 N ATOM 684 CA LYS A 45 9.089 -4.069 -9.568 1.00 0.00 C ATOM 685 C LYS A 45 8.008 -3.990 -8.494 1.00 0.00 C ATOM 686 O LYS A 45 8.023 -4.752 -7.527 1.00 0.00 O ATOM 687 CB LYS A 45 9.195 -5.501 -10.096 1.00 0.00 C ATOM 688 CG LYS A 45 8.005 -5.929 -10.938 1.00 0.00 C ATOM 689 CD LYS A 45 8.325 -7.158 -11.772 1.00 0.00 C ATOM 690 CE LYS A 45 7.448 -7.233 -13.013 1.00 0.00 C ATOM 691 NZ LYS A 45 7.324 -8.628 -13.520 1.00 0.00 N ATOM 0 H LYS A 45 11.089 -4.355 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 45 8.811 -3.406 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.103 -5.593 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.297 -6.184 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.156 -6.140 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.709 -5.110 -11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.374 -7.136 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.182 -8.055 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.458 -6.841 -12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.868 -6.599 -13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.719 -8.637 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.266 -8.994 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.900 -9.228 -12.784 1.00 0.00 H new ATOM 705 N VAL A 46 7.071 -3.065 -8.671 1.00 0.00 N ATOM 706 CA VAL A 46 5.981 -2.889 -7.718 1.00 0.00 C ATOM 707 C VAL A 46 4.766 -3.720 -8.114 1.00 0.00 C ATOM 708 O VAL A 46 4.216 -3.557 -9.203 1.00 0.00 O ATOM 709 CB VAL A 46 5.564 -1.410 -7.610 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.556 -0.637 -6.754 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.442 -0.788 -8.993 1.00 0.00 C ATOM 0 H VAL A 46 7.044 -2.426 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 46 6.349 -3.227 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 46 4.588 -1.360 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.245 0.406 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.588 -1.069 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.547 -0.693 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.147 0.257 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.402 -0.848 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.689 -1.326 -9.569 1.00 0.00 H new ATOM 721 N HIS A 47 4.351 -4.613 -7.220 1.00 0.00 N ATOM 722 CA HIS A 47 3.199 -5.471 -7.475 1.00 0.00 C ATOM 723 C HIS A 47 1.976 -4.981 -6.704 1.00 0.00 C ATOM 724 O HIS A 47 1.979 -4.946 -5.474 1.00 0.00 O ATOM 725 CB HIS A 47 3.516 -6.915 -7.088 1.00 0.00 C ATOM 726 CG HIS A 47 2.336 -7.833 -7.178 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.107 -8.660 -8.258 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.316 -8.052 -6.316 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.997 -9.347 -8.055 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.497 -8.997 -6.884 1.00 0.00 N ATOM 0 H HIS A 47 4.795 -4.761 -6.314 1.00 0.00 H new ATOM 0 HA HIS A 47 2.975 -5.430 -8.541 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.308 -7.290 -7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.903 -6.933 -6.069 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.701 -8.730 -9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.173 -7.573 -5.359 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.571 -10.072 -8.732 1.00 0.00 H new ATOM 739 N PHE A 48 0.933 -4.604 -7.436 1.00 0.00 N ATOM 740 CA PHE A 48 -0.296 -4.115 -6.822 1.00 0.00 C ATOM 741 C PHE A 48 -1.119 -5.270 -6.259 1.00 0.00 C ATOM 742 O PHE A 48 -1.853 -5.937 -6.988 1.00 0.00 O ATOM 743 CB PHE A 48 -1.125 -3.332 -7.842 1.00 0.00 C ATOM 744 CG PHE A 48 -0.597 -1.952 -8.111 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.736 -1.757 -8.437 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.433 -0.850 -8.038 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.225 -0.489 -8.686 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.950 0.421 -8.287 1.00 0.00 C ATOM 749 CZ PHE A 48 0.381 0.602 -8.610 1.00 0.00 C ATOM 0 H PHE A 48 0.914 -4.628 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.024 -3.452 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.156 -3.890 -8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.151 -3.256 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.400 -2.606 -8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.474 -0.985 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.266 -0.351 -8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.613 1.272 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.761 1.594 -8.803 1.00 0.00 H new ATOM 759 N ASP A 49 -0.991 -5.500 -4.957 1.00 0.00 N ATOM 760 CA ASP A 49 -1.723 -6.574 -4.295 1.00 0.00 C ATOM 761 C ASP A 49 -3.111 -6.741 -4.903 1.00 0.00 C ATOM 762 O ASP A 49 -3.796 -5.760 -5.192 1.00 0.00 O ATOM 763 CB ASP A 49 -1.840 -6.291 -2.796 1.00 0.00 C ATOM 764 CG ASP A 49 -2.281 -7.510 -2.010 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.533 -8.511 -1.998 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.372 -7.463 -1.405 1.00 0.00 O ATOM 0 H ASP A 49 -0.388 -4.957 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.169 -7.501 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.877 -5.947 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.553 -5.482 -2.636 1.00 0.00 H new ATOM 771 N GLY A 50 -3.521 -7.991 -5.097 1.00 0.00 N ATOM 772 CA GLY A 50 -4.825 -8.264 -5.672 1.00 0.00 C ATOM 773 C GLY A 50 -4.810 -8.226 -7.187 1.00 0.00 C ATOM 774 O GLY A 50 -4.980 -9.255 -7.842 1.00 0.00 O ATOM 0 H GLY A 50 -2.973 -8.820 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.167 -9.244 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.543 -7.533 -5.300 1.00 0.00 H new ATOM 778 N TRP A 51 -4.608 -7.039 -7.746 1.00 0.00 N ATOM 779 CA TRP A 51 -4.574 -6.872 -9.195 1.00 0.00 C ATOM 780 C TRP A 51 -3.750 -7.975 -9.850 1.00 0.00 C ATOM 781 O TRP A 51 -2.998 -8.682 -9.181 1.00 0.00 O ATOM 782 CB TRP A 51 -3.996 -5.503 -9.557 1.00 0.00 C ATOM 783 CG TRP A 51 -4.833 -4.358 -9.073 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.933 -3.901 -7.789 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.688 -3.526 -9.864 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.799 -2.836 -7.735 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.275 -2.586 -8.995 1.00 0.00 C ATOM 788 CE3 TRP A 51 -6.014 -3.483 -11.222 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -7.169 -1.616 -9.442 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.901 -2.520 -11.664 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.470 -1.597 -10.777 1.00 0.00 C ATOM 0 H TRP A 51 -4.465 -6.178 -7.219 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.596 -6.937 -9.568 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.995 -5.416 -9.135 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.892 -5.435 -10.640 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.408 -4.316 -6.941 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.047 -2.316 -6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.580 -4.190 -11.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.609 -0.904 -8.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -7.160 -2.478 -12.712 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -8.160 -0.856 -11.154 1.00 0.00 H new ATOM 802 N ASN A 52 -3.896 -8.115 -11.164 1.00 0.00 N ATOM 803 CA ASN A 52 -3.165 -9.133 -11.910 1.00 0.00 C ATOM 804 C ASN A 52 -1.692 -8.758 -12.042 1.00 0.00 C ATOM 805 O ASN A 52 -1.300 -7.630 -11.747 1.00 0.00 O ATOM 806 CB ASN A 52 -3.782 -9.320 -13.297 1.00 0.00 C ATOM 807 CG ASN A 52 -3.538 -10.709 -13.856 1.00 0.00 C ATOM 808 OD1 ASN A 52 -3.032 -11.590 -13.161 1.00 0.00 O ATOM 809 ND2 ASN A 52 -3.898 -10.910 -15.118 1.00 0.00 N ATOM 0 H ASN A 52 -4.514 -7.537 -11.734 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.235 -10.071 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.855 -9.137 -13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.367 -8.579 -13.979 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.759 -11.824 -15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.314 -10.150 -15.657 1.00 0.00 H new ATOM 816 N ASN A 53 -0.881 -9.711 -12.489 1.00 0.00 N ATOM 817 CA ASN A 53 0.548 -9.481 -12.661 1.00 0.00 C ATOM 818 C ASN A 53 0.824 -8.712 -13.950 1.00 0.00 C ATOM 819 O ASN A 53 1.912 -8.167 -14.138 1.00 0.00 O ATOM 820 CB ASN A 53 1.302 -10.812 -12.677 1.00 0.00 C ATOM 821 CG ASN A 53 1.413 -11.430 -11.296 1.00 0.00 C ATOM 822 OD1 ASN A 53 0.413 -11.836 -10.704 1.00 0.00 O ATOM 823 ND2 ASN A 53 2.633 -11.505 -10.778 1.00 0.00 N ATOM 0 H ASN A 53 -1.190 -10.651 -12.739 1.00 0.00 H new ATOM 0 HA ASN A 53 0.898 -8.883 -11.820 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.792 -11.508 -13.343 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.301 -10.656 -13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.770 -11.912 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.433 -11.156 -11.305 1.00 0.00 H new ATOM 830 N CYS A 54 -0.168 -8.673 -14.832 1.00 0.00 N ATOM 831 CA CYS A 54 -0.032 -7.971 -16.104 1.00 0.00 C ATOM 832 C CYS A 54 -0.066 -6.460 -15.897 1.00 0.00 C ATOM 833 O CYS A 54 0.302 -5.693 -16.787 1.00 0.00 O ATOM 834 CB CYS A 54 -1.146 -8.392 -17.064 1.00 0.00 C ATOM 835 SG CYS A 54 -2.771 -7.716 -16.650 1.00 0.00 S ATOM 0 H CYS A 54 -1.075 -9.119 -14.691 1.00 0.00 H new ATOM 0 HA CYS A 54 0.932 -8.238 -16.538 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.880 -8.077 -18.073 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.209 -9.480 -17.076 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.677 -6.987 -15.578 1.00 0.00 H new ATOM 841 N TYR A 55 -0.512 -6.039 -14.719 1.00 0.00 N ATOM 842 CA TYR A 55 -0.598 -4.620 -14.396 1.00 0.00 C ATOM 843 C TYR A 55 0.719 -4.112 -13.818 1.00 0.00 C ATOM 844 O TYR A 55 1.046 -2.931 -13.936 1.00 0.00 O ATOM 845 CB TYR A 55 -1.735 -4.369 -13.403 1.00 0.00 C ATOM 846 CG TYR A 55 -3.101 -4.311 -14.049 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.867 -5.459 -14.205 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.625 -3.106 -14.502 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.115 -5.410 -14.794 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.873 -3.047 -15.091 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.614 -4.202 -15.236 1.00 0.00 C ATOM 852 OH TYR A 55 -6.858 -4.148 -15.822 1.00 0.00 O ATOM 0 H TYR A 55 -0.820 -6.661 -13.971 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.803 -4.076 -15.318 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.731 -5.159 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.549 -3.431 -12.880 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.480 -6.406 -13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.047 -2.201 -14.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.697 -6.312 -14.908 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.267 -2.102 -15.436 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.060 -3.223 -16.076 1.00 0.00 H new ATOM 862 N ASP A 56 1.470 -5.012 -13.195 1.00 0.00 N ATOM 863 CA ASP A 56 2.753 -4.657 -12.599 1.00 0.00 C ATOM 864 C ASP A 56 3.667 -4.000 -13.629 1.00 0.00 C ATOM 865 O ASP A 56 3.507 -4.201 -14.833 1.00 0.00 O ATOM 866 CB ASP A 56 3.430 -5.899 -12.016 1.00 0.00 C ATOM 867 CG ASP A 56 2.452 -6.809 -11.300 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.309 -6.372 -11.049 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.829 -7.959 -10.991 1.00 0.00 O ATOM 0 H ASP A 56 1.213 -5.993 -13.089 1.00 0.00 H new ATOM 0 HA ASP A 56 2.568 -3.943 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.918 -6.454 -12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.211 -5.591 -11.321 1.00 0.00 H new ATOM 874 N TYR A 57 4.624 -3.215 -13.147 1.00 0.00 N ATOM 875 CA TYR A 57 5.562 -2.526 -14.026 1.00 0.00 C ATOM 876 C TYR A 57 6.847 -2.174 -13.283 1.00 0.00 C ATOM 877 O TYR A 57 6.854 -2.049 -12.058 1.00 0.00 O ATOM 878 CB TYR A 57 4.923 -1.257 -14.593 1.00 0.00 C ATOM 879 CG TYR A 57 4.150 -0.458 -13.567 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.808 0.260 -12.577 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.761 -0.422 -13.590 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.105 0.990 -11.638 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.050 0.307 -12.656 1.00 0.00 C ATOM 884 CZ TYR A 57 2.727 1.011 -11.682 1.00 0.00 C ATOM 885 OH TYR A 57 2.023 1.738 -10.749 1.00 0.00 O ATOM 0 H TYR A 57 4.771 -3.040 -12.153 1.00 0.00 H new ATOM 0 HA TYR A 57 5.812 -3.198 -14.847 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.703 -0.627 -15.019 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.253 -1.531 -15.408 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.887 0.248 -12.540 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.228 -0.973 -14.351 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.632 1.541 -10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.971 0.325 -12.688 1.00 0.00 H new ATOM 0 HH TYR A 57 1.810 1.167 -9.982 1.00 0.00 H new ATOM 895 N TRP A 58 7.931 -2.016 -14.033 1.00 0.00 N ATOM 896 CA TRP A 58 9.223 -1.677 -13.447 1.00 0.00 C ATOM 897 C TRP A 58 9.316 -0.183 -13.160 1.00 0.00 C ATOM 898 O TRP A 58 9.466 0.626 -14.076 1.00 0.00 O ATOM 899 CB TRP A 58 10.357 -2.102 -14.381 1.00 0.00 C ATOM 900 CG TRP A 58 10.836 -3.501 -14.138 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.624 -4.590 -14.934 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.604 -3.962 -13.021 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.215 -5.700 -14.380 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.823 -5.341 -13.207 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.131 -3.343 -11.884 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.544 -6.109 -12.297 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.846 -4.107 -10.981 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.048 -5.478 -11.192 1.00 0.00 C ATOM 0 H TRP A 58 7.942 -2.117 -15.048 1.00 0.00 H new ATOM 0 HA TRP A 58 9.318 -2.215 -12.504 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.019 -2.016 -15.414 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.194 -1.414 -14.261 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.073 -4.580 -15.863 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.203 -6.639 -14.778 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.982 -2.287 -11.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.700 -7.166 -12.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.256 -3.640 -10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.612 -6.048 -10.468 1.00 0.00 H new ATOM 919 N ILE A 59 9.227 0.177 -11.884 1.00 0.00 N ATOM 920 CA ILE A 59 9.302 1.575 -11.478 1.00 0.00 C ATOM 921 C ILE A 59 10.619 1.871 -10.768 1.00 0.00 C ATOM 922 O ILE A 59 11.153 1.024 -10.051 1.00 0.00 O ATOM 923 CB ILE A 59 8.134 1.956 -10.549 1.00 0.00 C ATOM 924 CG1 ILE A 59 8.000 3.477 -10.460 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.339 1.354 -9.167 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.649 3.936 -9.957 1.00 0.00 C ATOM 0 H ILE A 59 9.103 -0.480 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 59 9.240 2.171 -12.388 1.00 0.00 H new ATOM 0 HB ILE A 59 7.211 1.553 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.775 3.864 -9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.177 3.908 -11.446 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.506 1.632 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.389 0.268 -9.247 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.269 1.730 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.626 5.025 -9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.870 3.579 -10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.477 3.535 -8.958 1.00 0.00 H new ATOM 938 N ASP A 60 11.136 3.078 -10.970 1.00 0.00 N ATOM 939 CA ASP A 60 12.389 3.487 -10.347 1.00 0.00 C ATOM 940 C ASP A 60 12.195 3.747 -8.856 1.00 0.00 C ATOM 941 O ASP A 60 11.323 4.520 -8.459 1.00 0.00 O ATOM 942 CB ASP A 60 12.936 4.742 -11.029 1.00 0.00 C ATOM 943 CG ASP A 60 13.403 4.473 -12.446 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.573 4.575 -13.373 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.599 4.160 -12.628 1.00 0.00 O ATOM 0 H ASP A 60 10.706 3.790 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 60 13.107 2.676 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.163 5.510 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.767 5.137 -10.444 1.00 0.00 H new ATOM 950 N ALA A 61 13.012 3.095 -8.035 1.00 0.00 N ATOM 951 CA ALA A 61 12.930 3.256 -6.589 1.00 0.00 C ATOM 952 C ALA A 61 13.146 4.711 -6.186 1.00 0.00 C ATOM 953 O ALA A 61 12.760 5.126 -5.093 1.00 0.00 O ATOM 954 CB ALA A 61 13.948 2.359 -5.900 1.00 0.00 C ATOM 0 H ALA A 61 13.738 2.450 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 61 11.929 2.963 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.876 2.489 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.747 1.318 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.951 2.626 -6.231 1.00 0.00 H new ATOM 960 N ASP A 62 13.766 5.480 -7.074 1.00 0.00 N ATOM 961 CA ASP A 62 14.034 6.889 -6.810 1.00 0.00 C ATOM 962 C ASP A 62 12.957 7.772 -7.433 1.00 0.00 C ATOM 963 O ASP A 62 13.056 8.999 -7.410 1.00 0.00 O ATOM 964 CB ASP A 62 15.409 7.280 -7.354 1.00 0.00 C ATOM 965 CG ASP A 62 16.542 6.670 -6.553 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.899 7.241 -5.501 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.074 5.623 -6.979 1.00 0.00 O ATOM 0 H ASP A 62 14.092 5.152 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 62 14.023 7.040 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.490 6.961 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.505 8.366 -7.345 1.00 0.00 H new ATOM 972 N SER A 63 11.929 7.139 -7.991 1.00 0.00 N ATOM 973 CA SER A 63 10.836 7.867 -8.625 1.00 0.00 C ATOM 974 C SER A 63 10.062 8.687 -7.597 1.00 0.00 C ATOM 975 O SER A 63 9.845 8.263 -6.462 1.00 0.00 O ATOM 976 CB SER A 63 9.892 6.895 -9.335 1.00 0.00 C ATOM 977 OG SER A 63 8.934 7.591 -10.112 1.00 0.00 O ATOM 0 H SER A 63 11.831 6.124 -8.017 1.00 0.00 H new ATOM 0 HA SER A 63 11.264 8.549 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.468 6.226 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.384 6.272 -8.598 1.00 0.00 H new ATOM 0 HG SER A 63 8.032 7.333 -9.828 1.00 0.00 H new ATOM 983 N PRO A 64 9.634 9.892 -8.004 1.00 0.00 N ATOM 984 CA PRO A 64 8.876 10.797 -7.135 1.00 0.00 C ATOM 985 C PRO A 64 7.469 10.285 -6.850 1.00 0.00 C ATOM 986 O PRO A 64 6.880 10.600 -5.815 1.00 0.00 O ATOM 987 CB PRO A 64 8.819 12.097 -7.941 1.00 0.00 C ATOM 988 CG PRO A 64 8.959 11.669 -9.361 1.00 0.00 C ATOM 989 CD PRO A 64 9.856 10.462 -9.343 1.00 0.00 C ATOM 0 HA PRO A 64 9.342 10.906 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.879 12.623 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.620 12.777 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.988 11.427 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.389 12.466 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.593 9.754 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.900 10.735 -9.495 1.00 0.00 H new ATOM 997 N ASP A 65 6.934 9.493 -7.773 1.00 0.00 N ATOM 998 CA ASP A 65 5.596 8.935 -7.620 1.00 0.00 C ATOM 999 C ASP A 65 5.562 7.903 -6.497 1.00 0.00 C ATOM 1000 O ASP A 65 4.574 7.794 -5.770 1.00 0.00 O ATOM 1001 CB ASP A 65 5.133 8.297 -8.931 1.00 0.00 C ATOM 1002 CG ASP A 65 5.736 8.971 -10.147 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.506 10.185 -10.329 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.440 8.284 -10.917 1.00 0.00 O ATOM 0 H ASP A 65 7.407 9.223 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 65 4.918 9.748 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.403 7.241 -8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.046 8.348 -8.993 1.00 0.00 H new ATOM 1009 N ILE A 66 6.647 7.147 -6.363 1.00 0.00 N ATOM 1010 CA ILE A 66 6.741 6.123 -5.330 1.00 0.00 C ATOM 1011 C ILE A 66 6.626 6.736 -3.938 1.00 0.00 C ATOM 1012 O ILE A 66 7.456 7.552 -3.536 1.00 0.00 O ATOM 1013 CB ILE A 66 8.066 5.345 -5.427 1.00 0.00 C ATOM 1014 CG1 ILE A 66 8.041 4.403 -6.633 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.318 4.566 -4.145 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.355 3.693 -6.872 1.00 0.00 C ATOM 0 H ILE A 66 7.473 7.225 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 66 5.912 5.434 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 66 8.880 6.057 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.257 3.660 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.778 4.973 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.258 4.021 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.373 5.257 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.503 3.860 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.264 3.042 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.139 4.429 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.610 3.095 -5.997 1.00 0.00 H new ATOM 1028 N HIS A 67 5.591 6.335 -3.205 1.00 0.00 N ATOM 1029 CA HIS A 67 5.368 6.843 -1.856 1.00 0.00 C ATOM 1030 C HIS A 67 5.335 5.701 -0.844 1.00 0.00 C ATOM 1031 O HIS A 67 4.813 4.618 -1.111 1.00 0.00 O ATOM 1032 CB HIS A 67 4.060 7.632 -1.795 1.00 0.00 C ATOM 1033 CG HIS A 67 4.056 8.852 -2.663 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.870 9.942 -2.435 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.331 9.150 -3.767 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.644 10.858 -3.359 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.716 10.402 -4.180 1.00 0.00 N ATOM 0 H HIS A 67 4.895 5.661 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 67 6.195 7.506 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.238 6.981 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.872 7.929 -0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.589 8.521 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.135 11.817 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.345 10.899 -4.990 1.00 0.00 H new ATOM 1046 N PRO A 68 5.906 5.946 0.344 1.00 0.00 N ATOM 1047 CA PRO A 68 5.955 4.950 1.419 1.00 0.00 C ATOM 1048 C PRO A 68 4.581 4.682 2.024 1.00 0.00 C ATOM 1049 O PRO A 68 3.675 5.511 1.924 1.00 0.00 O ATOM 1050 CB PRO A 68 6.880 5.592 2.456 1.00 0.00 C ATOM 1051 CG PRO A 68 6.765 7.057 2.211 1.00 0.00 C ATOM 1052 CD PRO A 68 6.548 7.213 0.731 1.00 0.00 C ATOM 0 HA PRO A 68 6.302 3.981 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.576 5.335 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.908 5.250 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.935 7.483 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.667 7.578 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.913 8.070 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.488 7.365 0.201 1.00 0.00 H new ATOM 1060 N VAL A 69 4.432 3.521 2.653 1.00 0.00 N ATOM 1061 CA VAL A 69 3.168 3.145 3.276 1.00 0.00 C ATOM 1062 C VAL A 69 2.752 4.163 4.331 1.00 0.00 C ATOM 1063 O VAL A 69 3.308 4.199 5.428 1.00 0.00 O ATOM 1064 CB VAL A 69 3.256 1.752 3.928 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.123 1.556 4.922 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.238 0.664 2.864 1.00 0.00 C ATOM 0 H VAL A 69 5.171 2.824 2.745 1.00 0.00 H new ATOM 0 HA VAL A 69 2.419 3.120 2.484 1.00 0.00 H new ATOM 0 HB VAL A 69 4.199 1.682 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.201 0.567 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.187 2.316 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.167 1.645 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.301 -0.314 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.312 0.729 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.088 0.796 2.194 1.00 0.00 H new ATOM 1076 N GLY A 70 1.767 4.990 3.992 1.00 0.00 N ATOM 1077 CA GLY A 70 1.292 5.998 4.922 1.00 0.00 C ATOM 1078 C GLY A 70 1.418 7.403 4.367 1.00 0.00 C ATOM 1079 O GLY A 70 1.262 8.382 5.098 1.00 0.00 O ATOM 0 H GLY A 70 1.290 4.980 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.249 5.799 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.857 5.926 5.851 1.00 0.00 H new ATOM 1083 N TRP A 71 1.702 7.504 3.074 1.00 0.00 N ATOM 1084 CA TRP A 71 1.850 8.800 2.423 1.00 0.00 C ATOM 1085 C TRP A 71 0.506 9.510 2.310 1.00 0.00 C ATOM 1086 O TRP A 71 0.447 10.709 2.035 1.00 0.00 O ATOM 1087 CB TRP A 71 2.469 8.629 1.035 1.00 0.00 C ATOM 1088 CG TRP A 71 2.240 9.804 0.133 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.163 10.734 -0.252 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.008 10.176 -0.494 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.579 11.661 -1.081 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.258 11.341 -1.245 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.282 9.638 -0.495 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.265 11.974 -1.988 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.266 10.268 -1.232 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.989 11.425 -1.971 1.00 0.00 C ATOM 0 H TRP A 71 1.834 6.704 2.455 1.00 0.00 H new ATOM 0 HA TRP A 71 2.512 9.412 3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.541 8.465 1.141 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.055 7.735 0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.200 10.740 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.053 12.458 -1.505 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.506 8.745 0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.477 12.867 -2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.266 9.861 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.780 11.893 -2.538 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.572 8.763 2.522 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.917 9.321 2.443 1.00 0.00 C ATOM 1109 C CYS A 72 -2.137 10.367 3.532 1.00 0.00 C ATOM 1110 O CYS A 72 -3.005 11.231 3.411 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.961 8.211 2.568 1.00 0.00 C ATOM 1112 SG CYS A 72 -3.108 7.519 4.232 1.00 0.00 S ATOM 0 H CYS A 72 -0.541 7.769 2.750 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.026 9.805 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.931 8.603 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.708 7.409 1.874 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.017 6.590 4.237 1.00 0.00 H new ATOM 1118 N SER A 73 -1.344 10.281 4.596 1.00 0.00 N ATOM 1119 CA SER A 73 -1.456 11.217 5.709 1.00 0.00 C ATOM 1120 C SER A 73 -0.734 12.524 5.394 1.00 0.00 C ATOM 1121 O SER A 73 -1.327 13.602 5.442 1.00 0.00 O ATOM 1122 CB SER A 73 -0.880 10.597 6.983 1.00 0.00 C ATOM 1123 OG SER A 73 -1.857 9.828 7.663 1.00 0.00 O ATOM 0 H SER A 73 -0.618 9.574 4.711 1.00 0.00 H new ATOM 0 HA SER A 73 -2.513 11.434 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.027 9.967 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.511 11.385 7.640 1.00 0.00 H new ATOM 0 HG SER A 73 -1.463 9.441 8.473 1.00 0.00 H new ATOM 1129 N LYS A 74 0.551 12.420 5.073 1.00 0.00 N ATOM 1130 CA LYS A 74 1.357 13.591 4.749 1.00 0.00 C ATOM 1131 C LYS A 74 0.527 14.634 4.006 1.00 0.00 C ATOM 1132 O LYS A 74 0.159 15.666 4.569 1.00 0.00 O ATOM 1133 CB LYS A 74 2.564 13.186 3.900 1.00 0.00 C ATOM 1134 CG LYS A 74 3.620 12.415 4.672 1.00 0.00 C ATOM 1135 CD LYS A 74 4.608 11.735 3.740 1.00 0.00 C ATOM 1136 CE LYS A 74 5.755 12.663 3.370 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.435 13.490 2.174 1.00 0.00 N ATOM 0 H LYS A 74 1.057 11.535 5.030 1.00 0.00 H new ATOM 0 HA LYS A 74 1.708 14.029 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.221 12.577 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.017 14.083 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.154 13.094 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.138 11.667 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.003 10.839 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.093 11.412 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.981 13.316 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.651 12.073 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.164 13.345 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.508 13.209 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.410 14.494 2.443 1.00 0.00 H new ATOM 1151 N THR A 75 0.233 14.357 2.740 1.00 0.00 N ATOM 1152 CA THR A 75 -0.554 15.271 1.921 1.00 0.00 C ATOM 1153 C THR A 75 -2.024 15.244 2.325 1.00 0.00 C ATOM 1154 O THR A 75 -2.731 16.243 2.199 1.00 0.00 O ATOM 1155 CB THR A 75 -0.438 14.926 0.424 1.00 0.00 C ATOM 1156 OG1 THR A 75 -1.192 13.743 0.134 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.016 14.716 0.028 1.00 0.00 C ATOM 0 H THR A 75 0.528 13.507 2.259 1.00 0.00 H new ATOM 0 HA THR A 75 -0.152 16.270 2.088 1.00 0.00 H new ATOM 0 HB THR A 75 -0.838 15.761 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.731 13.223 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.073 14.474 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.581 15.627 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.437 13.896 0.610 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.478 14.093 2.811 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.862 13.958 3.226 1.00 0.00 C ATOM 1167 C GLY A 76 -4.760 13.478 2.104 1.00 0.00 C ATOM 1168 O GLY A 76 -5.962 13.750 2.100 1.00 0.00 O ATOM 0 H GLY A 76 -1.912 13.252 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.921 13.258 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.224 14.919 3.591 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.178 12.763 1.146 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.934 12.246 0.011 1.00 0.00 C ATOM 1174 C HIS A 77 -5.580 10.907 0.354 1.00 0.00 C ATOM 1175 O HIS A 77 -5.023 10.091 1.090 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.023 12.089 -1.207 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.916 13.329 -2.039 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.869 14.597 -1.498 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.845 13.492 -3.381 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.776 15.485 -2.471 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.759 14.841 -3.623 1.00 0.00 N ATOM 0 H HIS A 77 -3.185 12.529 1.133 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.723 12.961 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.027 11.800 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.398 11.276 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.854 12.707 -4.123 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.723 16.556 -2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.693 15.275 -4.544 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.784 10.673 -0.190 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.532 9.434 0.045 1.00 0.00 C ATOM 1192 C PRO A 78 -6.884 8.230 -0.630 1.00 0.00 C ATOM 1193 O PRO A 78 -6.564 8.269 -1.819 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.900 9.724 -0.576 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.636 10.762 -1.611 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.507 11.600 -1.076 1.00 0.00 C ATOM 0 HA PRO A 78 -7.575 9.177 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.332 8.826 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.606 10.083 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.366 10.305 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.523 11.370 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.868 11.971 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.875 12.470 -0.533 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.694 7.161 0.135 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.085 5.943 -0.390 1.00 0.00 C ATOM 1206 C LEU A 79 -7.152 4.935 -0.802 1.00 0.00 C ATOM 1207 O LEU A 79 -8.266 4.948 -0.280 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.157 5.322 0.656 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.231 4.213 0.157 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.192 4.775 -0.800 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.556 3.514 1.329 1.00 0.00 C ATOM 0 H LEU A 79 -6.953 7.112 1.120 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.502 6.208 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.544 6.115 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.769 4.921 1.463 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.832 3.480 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.542 3.971 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.693 5.229 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.595 5.529 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.901 2.727 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.969 4.237 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.315 3.076 1.977 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.801 4.061 -1.740 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.729 3.044 -2.222 1.00 0.00 C ATOM 1225 C GLN A 80 -7.200 1.643 -1.933 1.00 0.00 C ATOM 1226 O GLN A 80 -6.082 1.287 -2.307 1.00 0.00 O ATOM 1227 CB GLN A 80 -7.969 3.212 -3.723 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.660 4.517 -4.086 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.072 4.601 -3.542 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.972 3.903 -4.008 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.273 5.459 -2.548 1.00 0.00 N ATOM 0 H GLN A 80 -5.882 4.036 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.674 3.172 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.013 3.160 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.573 2.379 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.076 5.352 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.686 4.620 -5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.498 6.018 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.203 5.559 -2.140 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.019 0.829 -1.252 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.654 -0.546 -0.898 1.00 0.00 C ATOM 1242 C PRO A 81 -7.597 -1.462 -2.116 1.00 0.00 C ATOM 1243 O PRO A 81 -8.143 -1.159 -3.177 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.779 -0.980 0.045 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.942 -0.130 -0.336 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.365 1.188 -0.775 1.00 0.00 C ATOM 0 HA PRO A 81 -6.661 -0.602 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.008 -2.039 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.502 -0.828 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.516 -0.592 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.621 0.002 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.962 1.645 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.323 1.902 0.047 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.920 -2.610 -1.962 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.776 -3.594 -3.039 1.00 0.00 C ATOM 1256 C PRO A 82 -8.089 -4.298 -3.361 1.00 0.00 C ATOM 1257 O PRO A 82 -9.138 -3.960 -2.809 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.759 -4.590 -2.476 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.893 -4.472 -0.997 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.243 -3.035 -0.726 1.00 0.00 C ATOM 0 HA PRO A 82 -6.466 -3.130 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.970 -5.605 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.747 -4.350 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.668 -5.140 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.964 -4.748 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.894 -2.937 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.355 -2.435 -0.528 1.00 0.00 H new ATOM 1268 N LEU A 83 -8.027 -5.277 -4.256 1.00 0.00 N ATOM 1269 CA LEU A 83 -9.212 -6.030 -4.651 1.00 0.00 C ATOM 1270 C LEU A 83 -9.543 -7.105 -3.620 1.00 0.00 C ATOM 1271 O LEU A 83 -8.819 -7.284 -2.641 1.00 0.00 O ATOM 1272 CB LEU A 83 -9.000 -6.671 -6.023 1.00 0.00 C ATOM 1273 CG LEU A 83 -8.698 -5.710 -7.173 1.00 0.00 C ATOM 1274 CD1 LEU A 83 -7.201 -5.470 -7.290 1.00 0.00 C ATOM 1275 CD2 LEU A 83 -9.257 -6.252 -8.481 1.00 0.00 C ATOM 0 H LEU A 83 -7.168 -5.568 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.051 -5.336 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.179 -7.383 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.893 -7.241 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.182 -4.757 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.006 -4.784 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.828 -5.038 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.694 -6.417 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.033 -5.555 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.802 -7.218 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.337 -6.371 -8.394 1.00 0.00 H new ATOM 1287 N SER A 84 -10.641 -7.819 -3.849 1.00 0.00 N ATOM 1288 CA SER A 84 -11.068 -8.876 -2.939 1.00 0.00 C ATOM 1289 C SER A 84 -10.070 -10.030 -2.940 1.00 0.00 C ATOM 1290 O SER A 84 -9.317 -10.232 -3.892 1.00 0.00 O ATOM 1291 CB SER A 84 -12.455 -9.386 -3.334 1.00 0.00 C ATOM 1292 OG SER A 84 -13.474 -8.560 -2.798 1.00 0.00 O ATOM 0 H SER A 84 -11.250 -7.685 -4.656 1.00 0.00 H new ATOM 0 HA SER A 84 -11.114 -8.460 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.540 -9.415 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.585 -10.408 -2.977 1.00 0.00 H new ATOM 0 HG SER A 84 -14.351 -8.906 -3.066 1.00 0.00 H new ATOM 1298 N PRO A 85 -10.063 -10.805 -1.845 1.00 0.00 N ATOM 1299 CA PRO A 85 -9.163 -11.952 -1.693 1.00 0.00 C ATOM 1300 C PRO A 85 -9.528 -13.102 -2.626 1.00 0.00 C ATOM 1301 O PRO A 85 -8.875 -14.146 -2.626 1.00 0.00 O ATOM 1302 CB PRO A 85 -9.358 -12.365 -0.232 1.00 0.00 C ATOM 1303 CG PRO A 85 -10.724 -11.884 0.118 1.00 0.00 C ATOM 1304 CD PRO A 85 -10.934 -10.622 -0.672 1.00 0.00 C ATOM 0 HA PRO A 85 -8.133 -11.699 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.276 -13.445 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.602 -11.914 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.477 -12.631 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.808 -11.693 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.977 -10.498 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.655 -9.738 -0.099 1.00 0.00 H new ATOM 1312 N LEU A 86 -10.575 -12.905 -3.419 1.00 0.00 N ATOM 1313 CA LEU A 86 -11.027 -13.926 -4.358 1.00 0.00 C ATOM 1314 C LEU A 86 -10.316 -13.786 -5.700 1.00 0.00 C ATOM 1315 O LEU A 86 -10.338 -14.700 -6.523 1.00 0.00 O ATOM 1316 CB LEU A 86 -12.541 -13.830 -4.557 1.00 0.00 C ATOM 1317 CG LEU A 86 -13.014 -12.875 -5.653 1.00 0.00 C ATOM 1318 CD1 LEU A 86 -13.116 -13.601 -6.986 1.00 0.00 C ATOM 1319 CD2 LEU A 86 -14.352 -12.254 -5.278 1.00 0.00 C ATOM 0 H LEU A 86 -11.127 -12.048 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.783 -14.902 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.922 -14.826 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.993 -13.521 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.280 -12.075 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.454 -12.906 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.138 -13.997 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -13.829 -14.421 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.673 -11.577 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -15.095 -13.041 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.247 -11.699 -4.346 1.00 0.00 H new ATOM 1331 N GLU A 87 -9.685 -12.635 -5.912 1.00 0.00 N ATOM 1332 CA GLU A 87 -8.967 -12.376 -7.154 1.00 0.00 C ATOM 1333 C GLU A 87 -7.524 -12.865 -7.060 1.00 0.00 C ATOM 1334 O GLU A 87 -6.957 -13.352 -8.039 1.00 0.00 O ATOM 1335 CB GLU A 87 -8.989 -10.881 -7.480 1.00 0.00 C ATOM 1336 CG GLU A 87 -10.386 -10.329 -7.709 1.00 0.00 C ATOM 1337 CD GLU A 87 -10.402 -9.170 -8.686 1.00 0.00 C ATOM 1338 OE1 GLU A 87 -9.336 -8.859 -9.257 1.00 0.00 O ATOM 1339 OE2 GLU A 87 -11.482 -8.573 -8.880 1.00 0.00 O ATOM 0 H GLU A 87 -9.657 -11.868 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.467 -12.923 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.520 -10.333 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.386 -10.703 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.030 -11.124 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.804 -10.003 -6.757 1.00 0.00 H new ATOM 1346 N LEU A 88 -6.936 -12.732 -5.876 1.00 0.00 N ATOM 1347 CA LEU A 88 -5.560 -13.160 -5.653 1.00 0.00 C ATOM 1348 C LEU A 88 -5.512 -14.593 -5.132 1.00 0.00 C ATOM 1349 O LEU A 88 -4.572 -14.981 -4.439 1.00 0.00 O ATOM 1350 CB LEU A 88 -4.868 -12.222 -4.662 1.00 0.00 C ATOM 1351 CG LEU A 88 -5.461 -12.179 -3.253 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -4.845 -13.262 -2.381 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -5.253 -10.807 -2.629 1.00 0.00 C ATOM 0 H LEU A 88 -7.391 -12.331 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.035 -13.123 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.821 -12.515 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.887 -11.213 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.533 -12.365 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.279 -13.216 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.046 -14.240 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.768 -13.108 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.681 -10.794 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.186 -10.592 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.743 -10.050 -3.242 1.00 0.00 H new ATOM 1365 N MET A 89 -6.531 -15.375 -5.474 1.00 0.00 N ATOM 1366 CA MET A 89 -6.604 -16.766 -5.044 1.00 0.00 C ATOM 1367 C MET A 89 -5.809 -17.668 -5.983 1.00 0.00 C ATOM 1368 O MET A 89 -5.460 -17.268 -7.093 1.00 0.00 O ATOM 1369 CB MET A 89 -8.061 -17.229 -4.985 1.00 0.00 C ATOM 1370 CG MET A 89 -8.265 -18.490 -4.160 1.00 0.00 C ATOM 1371 SD MET A 89 -10.002 -18.806 -3.794 1.00 0.00 S ATOM 1372 CE MET A 89 -10.217 -17.831 -2.307 1.00 0.00 C ATOM 0 H MET A 89 -7.317 -15.069 -6.047 1.00 0.00 H new ATOM 0 HA MET A 89 -6.168 -16.835 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 89 -8.671 -16.428 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 89 -8.419 -17.406 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 89 -7.850 -19.343 -4.698 1.00 0.00 H new ATOM 0 HG3 MET A 89 -7.711 -18.402 -3.226 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.245 -17.924 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 89 -9.537 -18.190 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.001 -16.785 -2.523 1.00 0.00 H new ATOM 1382 N GLU A 90 -5.527 -18.885 -5.530 1.00 0.00 N ATOM 1383 CA GLU A 90 -4.772 -19.842 -6.331 1.00 0.00 C ATOM 1384 C GLU A 90 -3.614 -19.155 -7.051 1.00 0.00 C ATOM 1385 O GLU A 90 -3.324 -19.455 -8.209 1.00 0.00 O ATOM 1386 CB GLU A 90 -5.688 -20.523 -7.350 1.00 0.00 C ATOM 1387 CG GLU A 90 -5.163 -21.860 -7.843 1.00 0.00 C ATOM 1388 CD GLU A 90 -6.241 -22.709 -8.487 1.00 0.00 C ATOM 1389 OE1 GLU A 90 -6.588 -22.440 -9.656 1.00 0.00 O ATOM 1390 OE2 GLU A 90 -6.738 -23.643 -7.823 1.00 0.00 O ATOM 0 H GLU A 90 -5.810 -19.232 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.363 -20.597 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.670 -20.671 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.825 -19.859 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.363 -21.689 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.728 -22.406 -7.006 1.00 0.00 H new ATOM 1397 N ALA A 91 -2.957 -18.233 -6.356 1.00 0.00 N ATOM 1398 CA ALA A 91 -1.831 -17.504 -6.927 1.00 0.00 C ATOM 1399 C ALA A 91 -0.504 -18.071 -6.433 1.00 0.00 C ATOM 1400 O ALA A 91 0.340 -18.482 -7.228 1.00 0.00 O ATOM 1401 CB ALA A 91 -1.934 -16.024 -6.589 1.00 0.00 C ATOM 0 H ALA A 91 -3.185 -17.973 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.866 -17.621 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.087 -15.492 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.861 -15.621 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.928 -15.897 -5.506 1.00 0.00 H new ATOM 1407 N SER A 92 -0.327 -18.087 -5.115 1.00 0.00 N ATOM 1408 CA SER A 92 0.900 -18.599 -4.516 1.00 0.00 C ATOM 1409 C SER A 92 0.753 -20.073 -4.151 1.00 0.00 C ATOM 1410 O SER A 92 -0.088 -20.439 -3.330 1.00 0.00 O ATOM 1411 CB SER A 92 1.261 -17.787 -3.270 1.00 0.00 C ATOM 1412 OG SER A 92 1.591 -16.452 -3.610 1.00 0.00 O ATOM 0 H SER A 92 -1.017 -17.752 -4.443 1.00 0.00 H new ATOM 0 HA SER A 92 1.701 -18.503 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.423 -17.792 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.103 -18.254 -2.759 1.00 0.00 H new ATOM 0 HG SER A 92 1.816 -15.953 -2.797 1.00 0.00 H new ATOM 1418 N GLU A 93 1.577 -20.914 -4.768 1.00 0.00 N ATOM 1419 CA GLU A 93 1.538 -22.349 -4.509 1.00 0.00 C ATOM 1420 C GLU A 93 2.252 -22.685 -3.203 1.00 0.00 C ATOM 1421 O GLU A 93 3.481 -22.660 -3.131 1.00 0.00 O ATOM 1422 CB GLU A 93 2.179 -23.116 -5.667 1.00 0.00 C ATOM 1423 CG GLU A 93 1.690 -24.550 -5.791 1.00 0.00 C ATOM 1424 CD GLU A 93 0.431 -24.666 -6.628 1.00 0.00 C ATOM 1425 OE1 GLU A 93 0.387 -24.065 -7.722 1.00 0.00 O ATOM 1426 OE2 GLU A 93 -0.511 -25.359 -6.188 1.00 0.00 O ATOM 0 H GLU A 93 2.279 -20.627 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 93 0.494 -22.649 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.974 -22.589 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.261 -23.120 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.475 -25.161 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.499 -24.952 -4.796 1.00 0.00 H new ATOM 1433 N HIS A 94 1.473 -23.000 -2.173 1.00 0.00 N ATOM 1434 CA HIS A 94 2.031 -23.342 -0.869 1.00 0.00 C ATOM 1435 C HIS A 94 1.411 -24.629 -0.334 1.00 0.00 C ATOM 1436 O HIS A 94 0.280 -24.974 -0.675 1.00 0.00 O ATOM 1437 CB HIS A 94 1.802 -22.201 0.122 1.00 0.00 C ATOM 1438 CG HIS A 94 0.439 -22.211 0.742 1.00 0.00 C ATOM 1439 ND1 HIS A 94 0.230 -22.355 2.098 1.00 0.00 N ATOM 1440 CD2 HIS A 94 -0.788 -22.092 0.184 1.00 0.00 C ATOM 1441 CE1 HIS A 94 -1.067 -22.325 2.346 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -1.707 -22.166 1.202 1.00 0.00 N ATOM 0 H HIS A 94 0.454 -23.026 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 94 3.103 -23.499 -0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.552 -22.260 0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.952 -21.250 -0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.004 -21.963 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.526 -22.415 3.319 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.719 -22.108 1.092 1.00 0.00 H new ATOM 1451 N GLY A 95 2.160 -25.336 0.507 1.00 0.00 N ATOM 1452 CA GLY A 95 1.667 -26.578 1.075 1.00 0.00 C ATOM 1453 C GLY A 95 0.600 -26.350 2.127 1.00 0.00 C ATOM 1454 O GLY A 95 0.764 -25.517 3.018 1.00 0.00 O ATOM 0 H GLY A 95 3.099 -25.071 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.261 -27.202 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.498 -27.127 1.518 1.00 0.00 H new ATOM 1458 N GLY A 96 -0.498 -27.092 2.024 1.00 0.00 N ATOM 1459 CA GLY A 96 -1.581 -26.951 2.980 1.00 0.00 C ATOM 1460 C GLY A 96 -1.732 -28.169 3.869 1.00 0.00 C ATOM 1461 O GLY A 96 -2.026 -29.265 3.389 1.00 0.00 O ATOM 0 H GLY A 96 -0.657 -27.788 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.402 -26.073 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.514 -26.778 2.444 1.00 0.00 H new ATOM 1465 N CYS A 97 -1.529 -27.980 5.168 1.00 0.00 N ATOM 1466 CA CYS A 97 -1.642 -29.073 6.127 1.00 0.00 C ATOM 1467 C CYS A 97 -3.101 -29.333 6.487 1.00 0.00 C ATOM 1468 O CYS A 97 -3.937 -28.432 6.418 1.00 0.00 O ATOM 1469 CB CYS A 97 -0.841 -28.755 7.391 1.00 0.00 C ATOM 1470 SG CYS A 97 -1.403 -27.278 8.269 1.00 0.00 S ATOM 0 H CYS A 97 -1.285 -27.080 5.581 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.236 -29.972 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -0.895 -29.609 8.067 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.207 -28.627 7.121 1.00 0.00 H new ATOM 0 HG CYS A 97 -0.666 -27.094 9.324 1.00 0.00 H new ATOM 1476 N SER A 98 -3.400 -30.570 6.870 1.00 0.00 N ATOM 1477 CA SER A 98 -4.759 -30.950 7.236 1.00 0.00 C ATOM 1478 C SER A 98 -4.836 -31.344 8.708 1.00 0.00 C ATOM 1479 O SER A 98 -4.210 -32.313 9.137 1.00 0.00 O ATOM 1480 CB SER A 98 -5.241 -32.108 6.360 1.00 0.00 C ATOM 1481 OG SER A 98 -4.309 -33.176 6.370 1.00 0.00 O ATOM 0 H SER A 98 -2.719 -31.326 6.935 1.00 0.00 H new ATOM 0 HA SER A 98 -5.406 -30.088 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.208 -32.461 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.388 -31.759 5.338 1.00 0.00 H new ATOM 0 HG SER A 98 -3.870 -33.219 7.245 1.00 0.00 H new ATOM 1487 N THR A 99 -5.609 -30.584 9.478 1.00 0.00 N ATOM 1488 CA THR A 99 -5.769 -30.852 10.901 1.00 0.00 C ATOM 1489 C THR A 99 -7.146 -31.433 11.201 1.00 0.00 C ATOM 1490 O THR A 99 -8.082 -30.719 11.561 1.00 0.00 O ATOM 1491 CB THR A 99 -5.569 -29.575 11.739 1.00 0.00 C ATOM 1492 OG1 THR A 99 -6.576 -28.611 11.409 1.00 0.00 O ATOM 1493 CG2 THR A 99 -4.191 -28.979 11.497 1.00 0.00 C ATOM 0 H THR A 99 -6.134 -29.778 9.139 1.00 0.00 H new ATOM 0 HA THR A 99 -5.004 -31.580 11.173 1.00 0.00 H new ATOM 0 HB THR A 99 -5.652 -29.841 12.793 1.00 0.00 H new ATOM 0 HG1 THR A 99 -7.453 -29.049 11.385 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.073 -28.078 12.099 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.427 -29.705 11.776 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.084 -28.726 10.442 1.00 0.00 H new ATOM 1501 N PRO A 100 -7.275 -32.759 11.051 1.00 0.00 N ATOM 1502 CA PRO A 100 -8.535 -33.466 11.302 1.00 0.00 C ATOM 1503 C PRO A 100 -8.895 -33.500 12.784 1.00 0.00 C ATOM 1504 O PRO A 100 -8.090 -33.129 13.637 1.00 0.00 O ATOM 1505 CB PRO A 100 -8.257 -34.880 10.787 1.00 0.00 C ATOM 1506 CG PRO A 100 -6.779 -35.036 10.885 1.00 0.00 C ATOM 1507 CD PRO A 100 -6.201 -33.672 10.625 1.00 0.00 C ATOM 0 HA PRO A 100 -9.380 -32.979 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.775 -35.629 11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.601 -35.002 9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -6.490 -35.401 11.870 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -6.414 -35.760 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.286 -33.509 11.194 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.951 -33.535 9.573 1.00 0.00 H new ATOM 1515 N GLY A 101 -10.111 -33.948 13.082 1.00 0.00 N ATOM 1516 CA GLY A 101 -10.555 -34.022 14.462 1.00 0.00 C ATOM 1517 C GLY A 101 -11.397 -35.253 14.734 1.00 0.00 C ATOM 1518 O GLY A 101 -11.973 -35.835 13.815 1.00 0.00 O ATOM 0 H GLY A 101 -10.796 -34.261 12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.686 -34.027 15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.133 -33.130 14.703 1.00 0.00 H new ATOM 1522 N SER A 102 -11.466 -35.652 16.000 1.00 0.00 N ATOM 1523 CA SER A 102 -12.238 -36.826 16.390 1.00 0.00 C ATOM 1524 C SER A 102 -12.906 -36.611 17.745 1.00 0.00 C ATOM 1525 O SER A 102 -12.787 -35.544 18.346 1.00 0.00 O ATOM 1526 CB SER A 102 -11.337 -38.061 16.443 1.00 0.00 C ATOM 1527 OG SER A 102 -10.844 -38.389 15.156 1.00 0.00 O ATOM 0 H SER A 102 -10.997 -35.180 16.773 1.00 0.00 H new ATOM 0 HA SER A 102 -13.015 -36.984 15.642 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.502 -37.877 17.119 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.895 -38.905 16.848 1.00 0.00 H new ATOM 0 HG SER A 102 -10.270 -39.181 15.218 1.00 0.00 H new ATOM 1533 N GLY A 103 -13.611 -37.634 18.219 1.00 0.00 N ATOM 1534 CA GLY A 103 -14.288 -37.538 19.499 1.00 0.00 C ATOM 1535 C GLY A 103 -14.777 -38.883 19.999 1.00 0.00 C ATOM 1536 O GLY A 103 -15.176 -39.751 19.221 1.00 0.00 O ATOM 0 H GLY A 103 -13.725 -38.527 17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.609 -37.106 20.234 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.135 -36.858 19.408 1.00 0.00 H new ATOM 1540 N PRO A 104 -14.750 -39.072 21.326 1.00 0.00 N ATOM 1541 CA PRO A 104 -15.190 -40.319 21.958 1.00 0.00 C ATOM 1542 C PRO A 104 -16.699 -40.517 21.862 1.00 0.00 C ATOM 1543 O PRO A 104 -17.390 -39.769 21.171 1.00 0.00 O ATOM 1544 CB PRO A 104 -14.765 -40.147 23.418 1.00 0.00 C ATOM 1545 CG PRO A 104 -14.718 -38.673 23.627 1.00 0.00 C ATOM 1546 CD PRO A 104 -14.288 -38.082 22.313 1.00 0.00 C ATOM 0 HA PRO A 104 -14.757 -41.195 21.475 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -15.475 -40.621 24.096 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -13.793 -40.605 23.604 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -15.694 -38.290 23.927 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -14.017 -38.413 24.420 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -14.741 -37.105 22.144 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.208 -37.944 22.269 1.00 0.00 H new ATOM 1554 N SER A 105 -17.205 -41.528 22.561 1.00 0.00 N ATOM 1555 CA SER A 105 -18.632 -41.825 22.552 1.00 0.00 C ATOM 1556 C SER A 105 -19.159 -42.000 23.973 1.00 0.00 C ATOM 1557 O SER A 105 -18.391 -42.215 24.910 1.00 0.00 O ATOM 1558 CB SER A 105 -18.906 -43.090 21.735 1.00 0.00 C ATOM 1559 OG SER A 105 -18.579 -42.896 20.370 1.00 0.00 O ATOM 0 H SER A 105 -16.647 -42.155 23.141 1.00 0.00 H new ATOM 0 HA SER A 105 -19.150 -40.984 22.091 1.00 0.00 H new ATOM 0 HB2 SER A 105 -18.324 -43.920 22.137 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.957 -43.364 21.825 1.00 0.00 H new ATOM 0 HG SER A 105 -18.761 -43.719 19.870 1.00 0.00 H new ATOM 1565 N SER A 106 -20.477 -41.906 24.124 1.00 0.00 N ATOM 1566 CA SER A 106 -21.108 -42.050 25.431 1.00 0.00 C ATOM 1567 C SER A 106 -22.524 -42.601 25.292 1.00 0.00 C ATOM 1568 O SER A 106 -23.047 -42.729 24.186 1.00 0.00 O ATOM 1569 CB SER A 106 -21.141 -40.703 26.156 1.00 0.00 C ATOM 1570 OG SER A 106 -21.817 -39.725 25.384 1.00 0.00 O ATOM 0 H SER A 106 -21.128 -41.731 23.358 1.00 0.00 H new ATOM 0 HA SER A 106 -20.518 -42.755 26.017 1.00 0.00 H new ATOM 0 HB2 SER A 106 -21.637 -40.817 27.120 1.00 0.00 H new ATOM 0 HB3 SER A 106 -20.123 -40.371 26.359 1.00 0.00 H new ATOM 0 HG SER A 106 -21.826 -38.874 25.870 1.00 0.00 H new ATOM 1576 N GLY A 107 -23.140 -42.925 26.425 1.00 0.00 N ATOM 1577 CA GLY A 107 -24.490 -43.459 26.409 1.00 0.00 C ATOM 1578 C GLY A 107 -24.556 -44.884 26.921 1.00 0.00 C ATOM 1579 O GLY A 107 -23.852 -45.763 26.423 1.00 0.00 O ATOM 0 H GLY A 107 -22.729 -42.827 27.353 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.135 -42.827 27.019 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.879 -43.423 25.392 1.00 0.00 H new TER 1583 GLY A 107