USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 777 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 97 SER OG : rot 101:sc= 1.09 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.807 K(o=1.9,f=-7.6!) USER MOD Set 2.1: A 71 SER OG : rot -33:sc= 0.149 USER MOD Set 2.2: A 73 SER OG : rot -102:sc= 0.00256 USER MOD Set 3.1: A 69 SER OG : rot 180:sc= -0.0158 USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 37 TYR OH : rot 80:sc= 0.443 USER MOD Set 4.2: A 47 THR OG1 : rot -28:sc= 2.14 USER MOD Set 5.1: A 35 GLN :FLIP amide:sc= -4.55! C(o=-6.9!,f=-4.4!) USER MOD Set 5.2: A 50 TYR OH : rot -116:sc= 0.18 USER MOD Set 6.1: A 31 SER OG : rot -25:sc= -1.26 USER MOD Set 6.2: A 32 ASN : amide:sc= -2.14! C(o=-3.4!,f=-6.4!) USER MOD Set 7.1: A 28 SER OG : rot -11:sc= 0.264 USER MOD Set 7.2: A 72 ASN : amide:sc= -2.54! C(o=-2.3!,f=-7.8!) USER MOD Set 8.1: A 6 GLN : amide:sc= -7.65! C(o=-6.7!,f=-9!) USER MOD Set 8.2: A 106 THR OG1 : rot -37:sc= 0.979 USER MOD Single : A 1 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.28) USER MOD Single : A 1 ASN N :NH3+ -174:sc= -0.421 (180deg=-0.491) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.022 (180deg=-0.412) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.141 USER MOD Single : A 11 SER OG : rot 180:sc= -0.597 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -67:sc= 1.1 USER MOD Single : A 26 SER OG : rot -144:sc= 0.00245 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -6.98! C(o=-7!,f=-15!) USER MOD Single : A 39 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.122 USER MOD Single : A 46 THR OG1 : rot 31:sc= 0.0178 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.79 F(o=-3.5!,f=-1.8) USER MOD Single : A 54 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.031) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.2!) USER MOD Single : A 93 SER OG : rot -130:sc= -0.914 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0954 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.322 F(o=-1.4!,f=-0.32) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 69.264 7.416 -15.826 1.00 0.00 N ATOM 2 CA ASN A 1 70.107 8.638 -15.689 1.00 0.00 C ATOM 3 C ASN A 1 70.767 8.650 -14.313 1.00 0.00 C ATOM 4 O ASN A 1 71.280 9.682 -13.879 1.00 0.00 O ATOM 5 CB ASN A 1 69.225 9.877 -15.866 1.00 0.00 C ATOM 6 CG ASN A 1 68.485 9.805 -17.198 1.00 0.00 C ATOM 7 OD1 ASN A 1 67.379 9.269 -17.266 1.00 0.00 O ATOM 8 ND2 ASN A 1 69.034 10.315 -18.266 1.00 0.00 N ATOM 0 H1 ASN A 1 68.896 7.355 -16.797 1.00 0.00 H new ATOM 0 H2 ASN A 1 69.838 6.573 -15.620 1.00 0.00 H new ATOM 0 H3 ASN A 1 68.469 7.466 -15.157 1.00 0.00 H new ATOM 0 HA ASN A 1 70.886 8.641 -16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 1 68.510 9.944 -15.046 1.00 0.00 H new ATOM 0 HB3 ASN A 1 69.838 10.778 -15.829 1.00 0.00 H new ATOM 0 HD21 ASN A 1 68.547 10.270 -19.161 1.00 0.00 H new ATOM 0 HD22 ASN A 1 69.951 10.758 -18.206 1.00 0.00 H new ATOM 17 N PHE A 2 70.554 7.581 -13.551 1.00 0.00 N ATOM 18 CA PHE A 2 71.120 7.462 -12.210 1.00 0.00 C ATOM 19 C PHE A 2 72.245 6.432 -12.179 1.00 0.00 C ATOM 20 O PHE A 2 72.031 5.261 -12.496 1.00 0.00 O ATOM 21 CB PHE A 2 70.018 7.047 -11.232 1.00 0.00 C ATOM 22 CG PHE A 2 70.446 7.349 -9.815 1.00 0.00 C ATOM 23 CD1 PHE A 2 71.199 6.415 -9.094 1.00 0.00 C ATOM 24 CD2 PHE A 2 70.171 8.605 -9.261 1.00 0.00 C ATOM 25 CE1 PHE A 2 71.614 6.715 -7.792 1.00 0.00 C ATOM 26 CE2 PHE A 2 70.618 8.916 -7.971 1.00 0.00 C ATOM 27 CZ PHE A 2 71.351 7.974 -7.240 1.00 0.00 C ATOM 0 H PHE A 2 69.991 6.781 -13.841 1.00 0.00 H new ATOM 0 HA PHE A 2 71.533 8.428 -11.921 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.095 7.579 -11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 2 69.807 5.983 -11.338 1.00 0.00 H new ATOM 0 HD1 PHE A 2 71.459 5.467 -9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 2 69.613 9.335 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 2 72.139 5.972 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 2 70.397 9.882 -7.541 1.00 0.00 H new ATOM 0 HZ PHE A 2 71.713 8.218 -6.252 1.00 0.00 H new ATOM 37 N MET A 3 73.440 6.860 -11.780 1.00 0.00 N ATOM 38 CA MET A 3 74.580 5.955 -11.684 1.00 0.00 C ATOM 39 C MET A 3 75.504 6.411 -10.560 1.00 0.00 C ATOM 40 O MET A 3 75.338 7.501 -10.015 1.00 0.00 O ATOM 41 CB MET A 3 75.344 5.953 -13.009 1.00 0.00 C ATOM 42 CG MET A 3 74.540 5.188 -14.063 1.00 0.00 C ATOM 43 SD MET A 3 75.487 5.107 -15.606 1.00 0.00 S ATOM 44 CE MET A 3 75.309 6.830 -16.139 1.00 0.00 C ATOM 0 H MET A 3 73.643 7.825 -11.519 1.00 0.00 H new ATOM 0 HA MET A 3 74.224 4.947 -11.470 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.518 6.976 -13.342 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.322 5.490 -12.876 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.318 4.182 -13.707 1.00 0.00 H new ATOM 0 HG3 MET A 3 73.584 5.683 -14.236 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.541 6.908 -17.201 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.285 7.160 -15.966 1.00 0.00 H new ATOM 0 HE3 MET A 3 75.994 7.459 -15.571 1.00 0.00 H new ATOM 54 N LEU A 4 76.508 5.599 -10.243 1.00 0.00 N ATOM 55 CA LEU A 4 77.466 5.923 -9.194 1.00 0.00 C ATOM 56 C LEU A 4 78.894 5.807 -9.717 1.00 0.00 C ATOM 57 O LEU A 4 79.190 4.991 -10.589 1.00 0.00 O ATOM 58 CB LEU A 4 77.294 4.958 -8.018 1.00 0.00 C ATOM 59 CG LEU A 4 75.968 5.208 -7.293 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.609 4.002 -6.411 1.00 0.00 C ATOM 61 CD2 LEU A 4 76.045 6.499 -6.468 1.00 0.00 C ATOM 0 H LEU A 4 76.679 4.705 -10.703 1.00 0.00 H new ATOM 0 HA LEU A 4 77.282 6.947 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.327 3.930 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.123 5.078 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 4 75.177 5.331 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.665 4.192 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.513 3.112 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.395 3.845 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 4 75.095 6.663 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.842 6.412 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.252 7.341 -7.128 1.00 0.00 H new ATOM 73 N THR A 5 79.787 6.588 -9.117 1.00 0.00 N ATOM 74 CA THR A 5 81.197 6.579 -9.498 1.00 0.00 C ATOM 75 C THR A 5 82.078 6.316 -8.282 1.00 0.00 C ATOM 76 O THR A 5 81.959 6.994 -7.262 1.00 0.00 O ATOM 77 CB THR A 5 81.571 7.926 -10.120 1.00 0.00 C ATOM 78 OG1 THR A 5 80.863 8.093 -11.339 1.00 0.00 O ATOM 79 CG2 THR A 5 83.075 7.969 -10.397 1.00 0.00 C ATOM 0 H THR A 5 79.559 7.237 -8.363 1.00 0.00 H new ATOM 0 HA THR A 5 81.356 5.783 -10.225 1.00 0.00 H new ATOM 0 HB THR A 5 81.309 8.727 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.099 8.956 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.336 8.930 -10.840 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.621 7.840 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.341 7.168 -11.086 1.00 0.00 H new ATOM 87 N GLN A 6 82.993 5.358 -8.413 1.00 0.00 N ATOM 88 CA GLN A 6 83.864 5.002 -7.296 1.00 0.00 C ATOM 89 C GLN A 6 85.257 4.631 -7.806 1.00 0.00 C ATOM 90 O GLN A 6 85.483 4.590 -9.016 1.00 0.00 O ATOM 91 CB GLN A 6 83.258 3.838 -6.497 1.00 0.00 C ATOM 92 CG GLN A 6 81.813 3.579 -6.929 1.00 0.00 C ATOM 93 CD GLN A 6 81.262 2.350 -6.216 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.047 2.180 -6.163 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.067 1.519 -5.613 1.00 0.00 N ATOM 0 H GLN A 6 83.149 4.822 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 6 83.955 5.865 -6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.854 2.938 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.289 4.067 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.196 4.448 -6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.769 3.432 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.076 1.662 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.688 0.726 -5.096 1.00 0.00 H new ATOM 104 N PRO A 7 86.134 4.208 -6.934 1.00 0.00 N ATOM 105 CA PRO A 7 87.495 3.752 -7.336 1.00 0.00 C ATOM 106 C PRO A 7 87.457 2.371 -7.985 1.00 0.00 C ATOM 107 O PRO A 7 86.862 1.442 -7.439 1.00 0.00 O ATOM 108 CB PRO A 7 88.305 3.740 -6.032 1.00 0.00 C ATOM 109 CG PRO A 7 87.419 4.281 -4.953 1.00 0.00 C ATOM 110 CD PRO A 7 85.979 4.220 -5.469 1.00 0.00 C ATOM 0 HA PRO A 7 87.938 4.407 -8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.630 2.728 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.204 4.348 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.525 3.695 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.696 5.306 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.464 3.328 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.397 5.079 -5.135 1.00 0.00 H new ATOM 118 N HIS A 8 88.186 2.209 -9.085 1.00 0.00 N ATOM 119 CA HIS A 8 88.281 0.910 -9.744 1.00 0.00 C ATOM 120 C HIS A 8 89.076 -0.073 -8.892 1.00 0.00 C ATOM 121 O HIS A 8 88.668 -1.218 -8.697 1.00 0.00 O ATOM 122 CB HIS A 8 88.965 1.060 -11.104 1.00 0.00 C ATOM 123 CG HIS A 8 88.059 1.799 -12.050 1.00 0.00 C ATOM 124 ND1 HIS A 8 88.346 1.925 -13.400 1.00 0.00 N ATOM 125 CD2 HIS A 8 86.844 2.415 -11.868 1.00 0.00 C ATOM 126 CE1 HIS A 8 87.325 2.582 -13.975 1.00 0.00 C ATOM 127 NE2 HIS A 8 86.386 2.915 -13.087 1.00 0.00 N ATOM 0 H HIS A 8 88.716 2.955 -9.536 1.00 0.00 H new ATOM 0 HA HIS A 8 87.270 0.526 -9.880 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.906 1.599 -10.991 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.207 0.078 -11.510 1.00 0.00 H new ATOM 0 HD2 HIS A 8 86.323 2.499 -10.925 1.00 0.00 H new ATOM 0 HE1 HIS A 8 87.271 2.813 -15.029 1.00 0.00 H new ATOM 0 HE2 HIS A 8 85.520 3.425 -13.262 1.00 0.00 H new ATOM 135 N SER A 9 90.230 0.378 -8.410 1.00 0.00 N ATOM 136 CA SER A 9 91.106 -0.470 -7.610 1.00 0.00 C ATOM 137 C SER A 9 91.940 0.377 -6.657 1.00 0.00 C ATOM 138 O SER A 9 92.248 1.535 -6.939 1.00 0.00 O ATOM 139 CB SER A 9 92.045 -1.279 -8.508 1.00 0.00 C ATOM 140 OG SER A 9 91.292 -1.940 -9.513 1.00 0.00 O ATOM 0 H SER A 9 90.580 1.325 -8.559 1.00 0.00 H new ATOM 0 HA SER A 9 90.478 -1.153 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.783 -0.620 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.595 -2.008 -7.913 1.00 0.00 H new ATOM 0 HG SER A 9 91.895 -2.456 -10.088 1.00 0.00 H new ATOM 146 N VAL A 10 92.227 -0.192 -5.492 1.00 0.00 N ATOM 147 CA VAL A 10 92.960 0.525 -4.459 1.00 0.00 C ATOM 148 C VAL A 10 93.478 -0.455 -3.413 1.00 0.00 C ATOM 149 O VAL A 10 92.877 -1.505 -3.186 1.00 0.00 O ATOM 150 CB VAL A 10 92.056 1.577 -3.807 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.757 0.927 -3.308 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.791 2.270 -2.649 1.00 0.00 C ATOM 0 H VAL A 10 91.964 -1.145 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 10 93.811 1.032 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 10 91.802 2.330 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.124 1.686 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.229 0.476 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.994 0.157 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.136 3.014 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.071 1.529 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.688 2.759 -3.028 1.00 0.00 H new ATOM 162 N SER A 11 94.621 -0.134 -2.816 1.00 0.00 N ATOM 163 CA SER A 11 95.243 -1.019 -1.837 1.00 0.00 C ATOM 164 C SER A 11 95.770 -0.216 -0.653 1.00 0.00 C ATOM 165 O SER A 11 95.967 0.996 -0.746 1.00 0.00 O ATOM 166 CB SER A 11 96.403 -1.781 -2.481 1.00 0.00 C ATOM 167 OG SER A 11 95.923 -2.555 -3.570 1.00 0.00 O ATOM 0 H SER A 11 95.134 0.730 -2.992 1.00 0.00 H new ATOM 0 HA SER A 11 94.490 -1.725 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.163 -1.080 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.879 -2.428 -1.744 1.00 0.00 H new ATOM 0 HG SER A 11 96.669 -3.040 -3.981 1.00 0.00 H new ATOM 173 N GLU A 12 95.943 -0.893 0.478 1.00 0.00 N ATOM 174 CA GLU A 12 96.453 -0.242 1.679 1.00 0.00 C ATOM 175 C GLU A 12 97.104 -1.255 2.614 1.00 0.00 C ATOM 176 O GLU A 12 96.855 -2.457 2.513 1.00 0.00 O ATOM 177 CB GLU A 12 95.305 0.455 2.412 1.00 0.00 C ATOM 178 CG GLU A 12 95.857 1.276 3.579 1.00 0.00 C ATOM 179 CD GLU A 12 94.806 2.283 4.032 1.00 0.00 C ATOM 180 OE1 GLU A 12 93.638 2.033 3.783 1.00 0.00 O ATOM 181 OE2 GLU A 12 95.184 3.306 4.581 1.00 0.00 O ATOM 0 H GLU A 12 95.739 -1.886 0.588 1.00 0.00 H new ATOM 0 HA GLU A 12 97.204 0.489 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.763 1.103 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.594 -0.285 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 12 96.126 0.618 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 96.766 1.795 3.275 1.00 0.00 H new ATOM 188 N SER A 13 98.023 -0.781 3.450 1.00 0.00 N ATOM 189 CA SER A 13 98.726 -1.666 4.372 1.00 0.00 C ATOM 190 C SER A 13 97.978 -1.733 5.703 1.00 0.00 C ATOM 191 O SER A 13 97.421 -0.727 6.146 1.00 0.00 O ATOM 192 CB SER A 13 100.159 -1.166 4.572 1.00 0.00 C ATOM 193 OG SER A 13 101.028 -1.897 3.720 1.00 0.00 O ATOM 0 H SER A 13 98.296 0.200 3.508 1.00 0.00 H new ATOM 0 HA SER A 13 98.766 -2.672 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.221 -0.101 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.459 -1.291 5.612 1.00 0.00 H new ATOM 0 HG SER A 13 101.948 -1.581 3.842 1.00 0.00 H new ATOM 199 N PRO A 14 98.107 -2.809 6.434 1.00 0.00 N ATOM 200 CA PRO A 14 97.383 -2.975 7.727 1.00 0.00 C ATOM 201 C PRO A 14 97.763 -1.888 8.728 1.00 0.00 C ATOM 202 O PRO A 14 98.820 -1.267 8.611 1.00 0.00 O ATOM 203 CB PRO A 14 97.778 -4.370 8.236 1.00 0.00 C ATOM 204 CG PRO A 14 98.730 -4.958 7.241 1.00 0.00 C ATOM 205 CD PRO A 14 98.706 -4.078 5.988 1.00 0.00 C ATOM 0 HA PRO A 14 96.305 -2.884 7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.244 -4.302 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.897 -5.003 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.737 -5.002 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.441 -5.980 6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.710 -3.925 5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.117 -4.536 5.193 1.00 0.00 H new ATOM 213 N GLY A 15 96.899 -1.673 9.715 1.00 0.00 N ATOM 214 CA GLY A 15 97.175 -0.721 10.787 1.00 0.00 C ATOM 215 C GLY A 15 96.496 0.619 10.522 1.00 0.00 C ATOM 216 O GLY A 15 96.065 1.304 11.450 1.00 0.00 O ATOM 0 H GLY A 15 95.999 -2.146 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.826 -1.127 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.251 -0.575 10.879 1.00 0.00 H new ATOM 220 N LYS A 16 96.425 1.001 9.252 1.00 0.00 N ATOM 221 CA LYS A 16 95.769 2.248 8.872 1.00 0.00 C ATOM 222 C LYS A 16 94.263 2.052 8.742 1.00 0.00 C ATOM 223 O LYS A 16 93.679 1.222 9.438 1.00 0.00 O ATOM 224 CB LYS A 16 96.332 2.738 7.536 1.00 0.00 C ATOM 225 CG LYS A 16 97.863 2.701 7.563 1.00 0.00 C ATOM 226 CD LYS A 16 98.384 3.662 8.635 1.00 0.00 C ATOM 227 CE LYS A 16 99.894 3.854 8.495 1.00 0.00 C ATOM 228 NZ LYS A 16 100.297 5.029 9.316 1.00 0.00 N ATOM 0 H LYS A 16 96.811 0.469 8.472 1.00 0.00 H new ATOM 0 HA LYS A 16 95.959 2.987 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.960 2.112 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.989 3.754 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.208 1.688 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.260 2.980 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.879 4.624 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.152 3.271 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.422 2.960 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.161 4.012 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.323 5.175 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.798 5.876 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.051 4.857 10.312 1.00 0.00 H new ATOM 242 N THR A 17 93.622 2.984 8.044 1.00 0.00 N ATOM 243 CA THR A 17 92.179 2.935 7.834 1.00 0.00 C ATOM 244 C THR A 17 91.866 2.917 6.344 1.00 0.00 C ATOM 245 O THR A 17 92.697 3.299 5.522 1.00 0.00 O ATOM 246 CB THR A 17 91.512 4.158 8.465 1.00 0.00 C ATOM 247 OG1 THR A 17 92.056 5.343 7.901 1.00 0.00 O ATOM 248 CG2 THR A 17 91.755 4.147 9.974 1.00 0.00 C ATOM 0 H THR A 17 94.081 3.786 7.612 1.00 0.00 H new ATOM 0 HA THR A 17 91.795 2.028 8.300 1.00 0.00 H new ATOM 0 HB THR A 17 90.440 4.128 8.270 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.626 6.125 8.306 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.280 5.018 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.332 3.239 10.404 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.827 4.176 10.170 1.00 0.00 H new ATOM 256 N VAL A 18 90.637 2.538 6.009 1.00 0.00 N ATOM 257 CA VAL A 18 90.175 2.557 4.624 1.00 0.00 C ATOM 258 C VAL A 18 88.965 3.474 4.482 1.00 0.00 C ATOM 259 O VAL A 18 88.024 3.436 5.274 1.00 0.00 O ATOM 260 CB VAL A 18 89.850 1.132 4.169 1.00 0.00 C ATOM 261 CG1 VAL A 18 88.973 1.133 2.915 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.153 0.388 3.874 1.00 0.00 C ATOM 0 H VAL A 18 89.940 2.213 6.679 1.00 0.00 H new ATOM 0 HA VAL A 18 90.965 2.950 3.984 1.00 0.00 H new ATOM 0 HB VAL A 18 89.301 0.635 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.761 0.106 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.037 1.650 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.496 1.643 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.927 -0.628 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.698 0.908 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.764 0.353 4.776 1.00 0.00 H new ATOM 272 N THR A 19 88.998 4.284 3.431 1.00 0.00 N ATOM 273 CA THR A 19 87.878 5.144 3.078 1.00 0.00 C ATOM 274 C THR A 19 87.424 4.824 1.658 1.00 0.00 C ATOM 275 O THR A 19 88.129 5.113 0.693 1.00 0.00 O ATOM 276 CB THR A 19 88.322 6.604 3.196 1.00 0.00 C ATOM 277 OG1 THR A 19 88.483 6.931 4.568 1.00 0.00 O ATOM 278 CG2 THR A 19 87.278 7.530 2.570 1.00 0.00 C ATOM 0 H THR A 19 89.798 4.362 2.803 1.00 0.00 H new ATOM 0 HA THR A 19 87.038 4.975 3.752 1.00 0.00 H new ATOM 0 HB THR A 19 89.267 6.734 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.769 7.865 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.608 8.565 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.155 7.280 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.326 7.406 3.085 1.00 0.00 H new ATOM 286 N ILE A 20 86.166 4.414 1.530 1.00 0.00 N ATOM 287 CA ILE A 20 85.568 4.183 0.217 1.00 0.00 C ATOM 288 C ILE A 20 84.613 5.319 -0.132 1.00 0.00 C ATOM 289 O ILE A 20 83.538 5.429 0.456 1.00 0.00 O ATOM 290 CB ILE A 20 84.821 2.847 0.214 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.805 1.729 0.565 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.238 2.556 -1.170 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.089 0.380 0.661 1.00 0.00 C ATOM 0 H ILE A 20 85.541 4.235 2.316 1.00 0.00 H new ATOM 0 HA ILE A 20 86.359 4.149 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 20 84.011 2.899 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.587 1.677 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.294 1.954 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.711 1.602 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.542 3.349 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.044 2.510 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.810 -0.398 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.324 0.428 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.622 0.147 -0.296 1.00 0.00 H new ATOM 305 N SER A 21 84.894 5.986 -1.248 1.00 0.00 N ATOM 306 CA SER A 21 84.087 7.113 -1.705 1.00 0.00 C ATOM 307 C SER A 21 83.199 6.692 -2.874 1.00 0.00 C ATOM 308 O SER A 21 83.687 6.134 -3.857 1.00 0.00 O ATOM 309 CB SER A 21 85.017 8.252 -2.133 1.00 0.00 C ATOM 310 OG SER A 21 84.303 9.479 -2.126 1.00 0.00 O ATOM 0 H SER A 21 85.681 5.763 -1.857 1.00 0.00 H new ATOM 0 HA SER A 21 83.444 7.451 -0.892 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.870 8.312 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.413 8.056 -3.129 1.00 0.00 H new ATOM 0 HG SER A 21 84.900 10.207 -2.398 1.00 0.00 H new ATOM 316 N CYS A 22 81.895 6.934 -2.756 1.00 0.00 N ATOM 317 CA CYS A 22 80.929 6.605 -3.807 1.00 0.00 C ATOM 318 C CYS A 22 80.184 7.895 -4.169 1.00 0.00 C ATOM 319 O CYS A 22 79.630 8.554 -3.288 1.00 0.00 O ATOM 320 CB CYS A 22 79.971 5.490 -3.328 1.00 0.00 C ATOM 321 SG CYS A 22 80.518 3.825 -3.829 1.00 0.00 S ATOM 0 H CYS A 22 81.477 7.363 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 22 81.430 6.218 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.890 5.529 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.975 5.676 -3.729 1.00 0.00 H new ATOM 326 N THR A 23 80.300 8.358 -5.416 1.00 0.00 N ATOM 327 CA THR A 23 79.654 9.598 -5.853 1.00 0.00 C ATOM 328 C THR A 23 78.517 9.289 -6.820 1.00 0.00 C ATOM 329 O THR A 23 78.665 8.469 -7.725 1.00 0.00 O ATOM 330 CB THR A 23 80.642 10.530 -6.563 1.00 0.00 C ATOM 331 OG1 THR A 23 81.824 10.675 -5.788 1.00 0.00 O ATOM 332 CG2 THR A 23 80.011 11.908 -6.790 1.00 0.00 C ATOM 0 H THR A 23 80.839 7.890 -6.145 1.00 0.00 H new ATOM 0 HA THR A 23 79.274 10.092 -4.959 1.00 0.00 H new ATOM 0 HB THR A 23 80.894 10.089 -7.528 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.448 11.271 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.726 12.557 -7.295 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.118 11.802 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.739 12.346 -5.830 1.00 0.00 H new ATOM 340 N GLY A 24 77.404 9.999 -6.664 1.00 0.00 N ATOM 341 CA GLY A 24 76.219 9.765 -7.484 1.00 0.00 C ATOM 342 C GLY A 24 76.083 10.828 -8.568 1.00 0.00 C ATOM 343 O GLY A 24 76.354 12.007 -8.341 1.00 0.00 O ATOM 0 H GLY A 24 77.297 10.744 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.280 8.778 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.330 9.769 -6.853 1.00 0.00 H new ATOM 347 N SER A 25 75.636 10.396 -9.743 1.00 0.00 N ATOM 348 CA SER A 25 75.495 11.293 -10.884 1.00 0.00 C ATOM 349 C SER A 25 74.026 11.631 -11.110 1.00 0.00 C ATOM 350 O SER A 25 73.451 11.296 -12.146 1.00 0.00 O ATOM 351 CB SER A 25 76.062 10.619 -12.136 1.00 0.00 C ATOM 352 OG SER A 25 75.690 11.362 -13.287 1.00 0.00 O ATOM 0 H SER A 25 75.365 9.430 -9.930 1.00 0.00 H new ATOM 0 HA SER A 25 76.043 12.213 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 25 77.148 10.556 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.687 9.598 -12.213 1.00 0.00 H new ATOM 0 HG SER A 25 74.719 11.309 -13.411 1.00 0.00 H new ATOM 358 N SER A 26 73.436 12.327 -10.143 1.00 0.00 N ATOM 359 CA SER A 26 72.041 12.737 -10.251 1.00 0.00 C ATOM 360 C SER A 26 71.679 13.718 -9.141 1.00 0.00 C ATOM 361 O SER A 26 71.512 14.911 -9.394 1.00 0.00 O ATOM 362 CB SER A 26 71.137 11.503 -10.171 1.00 0.00 C ATOM 363 OG SER A 26 69.904 11.851 -9.557 1.00 0.00 O ATOM 0 H SER A 26 73.899 12.617 -9.282 1.00 0.00 H new ATOM 0 HA SER A 26 71.896 13.235 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.957 11.107 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.629 10.716 -9.600 1.00 0.00 H new ATOM 0 HG SER A 26 69.588 11.102 -9.010 1.00 0.00 H new ATOM 369 N GLY A 27 71.573 13.219 -7.913 1.00 0.00 N ATOM 370 CA GLY A 27 71.192 14.054 -6.778 1.00 0.00 C ATOM 371 C GLY A 27 71.988 13.665 -5.539 1.00 0.00 C ATOM 372 O GLY A 27 72.912 12.854 -5.613 1.00 0.00 O ATOM 0 H GLY A 27 71.745 12.241 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 27 71.367 15.103 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.125 13.946 -6.581 1.00 0.00 H new ATOM 376 N SER A 28 71.679 14.310 -4.420 1.00 0.00 N ATOM 377 CA SER A 28 72.398 14.048 -3.180 1.00 0.00 C ATOM 378 C SER A 28 72.042 12.667 -2.643 1.00 0.00 C ATOM 379 O SER A 28 70.911 12.202 -2.787 1.00 0.00 O ATOM 380 CB SER A 28 72.055 15.118 -2.141 1.00 0.00 C ATOM 381 OG SER A 28 72.473 16.388 -2.620 1.00 0.00 O ATOM 0 H SER A 28 70.942 15.012 -4.346 1.00 0.00 H new ATOM 0 HA SER A 28 73.469 14.079 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.982 15.124 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.547 14.893 -1.195 1.00 0.00 H new ATOM 0 HG SER A 28 73.034 16.269 -3.415 1.00 0.00 H new ATOM 387 N ILE A 29 73.029 12.000 -2.056 1.00 0.00 N ATOM 388 CA ILE A 29 72.816 10.668 -1.505 1.00 0.00 C ATOM 389 C ILE A 29 71.828 10.735 -0.344 1.00 0.00 C ATOM 390 O ILE A 29 71.525 9.720 0.282 1.00 0.00 O ATOM 391 CB ILE A 29 74.153 10.086 -1.025 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.123 11.201 -0.615 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.812 9.270 -2.141 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.471 12.209 0.338 1.00 0.00 C ATOM 0 H ILE A 29 73.979 12.357 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 29 72.404 10.022 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 29 73.940 9.450 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.998 10.762 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.475 11.720 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.759 8.864 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.153 8.452 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.994 9.912 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.194 12.981 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.612 12.669 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.142 11.695 1.242 1.00 0.00 H new ATOM 406 N ALA A 30 71.383 11.947 -0.023 1.00 0.00 N ATOM 407 CA ALA A 30 70.473 12.135 1.100 1.00 0.00 C ATOM 408 C ALA A 30 69.036 12.045 0.600 1.00 0.00 C ATOM 409 O ALA A 30 68.085 11.989 1.380 1.00 0.00 O ATOM 410 CB ALA A 30 70.714 13.511 1.727 1.00 0.00 C ATOM 0 H ALA A 30 71.634 12.803 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 30 70.648 11.363 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.034 13.652 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.744 13.575 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.536 14.286 0.982 1.00 0.00 H new ATOM 416 N SER A 31 68.900 12.011 -0.721 1.00 0.00 N ATOM 417 CA SER A 31 67.585 11.895 -1.343 1.00 0.00 C ATOM 418 C SER A 31 67.149 10.436 -1.401 1.00 0.00 C ATOM 419 O SER A 31 65.970 10.135 -1.582 1.00 0.00 O ATOM 420 CB SER A 31 67.616 12.476 -2.759 1.00 0.00 C ATOM 421 OG SER A 31 68.135 11.508 -3.659 1.00 0.00 O ATOM 0 H SER A 31 69.678 12.062 -1.379 1.00 0.00 H new ATOM 0 HA SER A 31 66.871 12.455 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.612 12.770 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.232 13.375 -2.781 1.00 0.00 H new ATOM 0 HG SER A 31 68.713 10.885 -3.171 1.00 0.00 H new ATOM 427 N ASN A 32 68.099 9.532 -1.186 1.00 0.00 N ATOM 428 CA ASN A 32 67.815 8.100 -1.228 1.00 0.00 C ATOM 429 C ASN A 32 68.711 7.362 -0.235 1.00 0.00 C ATOM 430 O ASN A 32 69.847 7.768 0.004 1.00 0.00 O ATOM 431 CB ASN A 32 68.028 7.561 -2.650 1.00 0.00 C ATOM 432 CG ASN A 32 67.827 8.672 -3.676 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.797 9.275 -4.132 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.622 8.981 -4.070 1.00 0.00 N ATOM 0 H ASN A 32 69.071 9.764 -0.981 1.00 0.00 H new ATOM 0 HA ASN A 32 66.775 7.934 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 32 69.033 7.149 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.330 6.747 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.484 9.723 -4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.818 8.481 -3.692 1.00 0.00 H new ATOM 441 N TYR A 33 68.237 6.222 0.261 1.00 0.00 N ATOM 442 CA TYR A 33 69.032 5.413 1.178 1.00 0.00 C ATOM 443 C TYR A 33 69.960 4.496 0.389 1.00 0.00 C ATOM 444 O TYR A 33 69.622 4.067 -0.715 1.00 0.00 O ATOM 445 CB TYR A 33 68.119 4.562 2.064 1.00 0.00 C ATOM 446 CG TYR A 33 67.392 5.453 3.044 1.00 0.00 C ATOM 447 CD1 TYR A 33 68.093 6.026 4.112 1.00 0.00 C ATOM 448 CD2 TYR A 33 66.027 5.722 2.880 1.00 0.00 C ATOM 449 CE1 TYR A 33 67.435 6.880 5.005 1.00 0.00 C ATOM 450 CE2 TYR A 33 65.363 6.559 3.786 1.00 0.00 C ATOM 451 CZ TYR A 33 66.068 7.135 4.849 1.00 0.00 C ATOM 452 OH TYR A 33 65.407 7.933 5.760 1.00 0.00 O ATOM 0 H TYR A 33 67.316 5.841 0.046 1.00 0.00 H new ATOM 0 HA TYR A 33 69.622 6.080 1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.401 4.019 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.707 3.817 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.142 5.809 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.486 5.284 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 33 67.982 7.342 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 33 64.309 6.759 3.664 1.00 0.00 H new ATOM 0 HH TYR A 33 64.464 8.009 5.505 1.00 0.00 H new ATOM 462 N VAL A 34 71.167 4.285 0.908 1.00 0.00 N ATOM 463 CA VAL A 34 72.163 3.454 0.237 1.00 0.00 C ATOM 464 C VAL A 34 72.539 2.277 1.131 1.00 0.00 C ATOM 465 O VAL A 34 72.662 2.422 2.348 1.00 0.00 O ATOM 466 CB VAL A 34 73.384 4.315 -0.111 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.657 3.468 -0.215 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.154 5.046 -1.439 1.00 0.00 C ATOM 0 H VAL A 34 71.480 4.680 1.795 1.00 0.00 H new ATOM 0 HA VAL A 34 71.755 3.049 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 34 73.515 5.039 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.502 4.110 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 34 74.844 2.974 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.531 2.717 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.027 5.654 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.994 4.316 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.277 5.688 -1.354 1.00 0.00 H new ATOM 478 N GLN A 35 72.866 1.156 0.494 1.00 0.00 N ATOM 479 CA GLN A 35 73.283 -0.046 1.208 1.00 0.00 C ATOM 480 C GLN A 35 74.674 -0.438 0.724 1.00 0.00 C ATOM 481 O GLN A 35 75.024 -0.207 -0.433 1.00 0.00 O ATOM 482 CB GLN A 35 72.291 -1.185 0.937 1.00 0.00 C ATOM 483 CG GLN A 35 71.325 -1.351 2.113 1.00 0.00 C ATOM 484 CD GLN A 35 70.339 -2.477 1.826 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.063 -2.277 2.010 1.00 0.00 O flip ATOM 486 NE2 GLN A 35 70.748 -3.579 1.461 1.00 0.00 N flip ATOM 0 H GLN A 35 72.850 1.056 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 35 73.304 0.145 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 35 71.730 -0.977 0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.834 -2.116 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.883 -1.569 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.785 -0.420 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.747 -3.731 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.088 -4.340 1.301 1.00 0.00 H new ATOM 495 N TRP A 36 75.471 -0.998 1.628 1.00 0.00 N ATOM 496 CA TRP A 36 76.834 -1.402 1.298 1.00 0.00 C ATOM 497 C TRP A 36 76.951 -2.923 1.273 1.00 0.00 C ATOM 498 O TRP A 36 76.422 -3.621 2.138 1.00 0.00 O ATOM 499 CB TRP A 36 77.802 -0.820 2.331 1.00 0.00 C ATOM 500 CG TRP A 36 77.790 0.672 2.220 1.00 0.00 C ATOM 501 CD1 TRP A 36 76.855 1.483 2.766 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.741 1.546 1.540 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.139 2.789 2.421 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.320 2.889 1.716 1.00 0.00 C ATOM 505 CE3 TRP A 36 79.927 1.318 0.824 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.031 3.960 1.168 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.667 2.392 0.313 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.187 3.702 0.423 1.00 0.00 C ATOM 0 H TRP A 36 75.198 -1.182 2.593 1.00 0.00 H new ATOM 0 HA TRP A 36 77.086 -1.022 0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.510 -1.126 3.336 1.00 0.00 H new ATOM 0 HB3 TRP A 36 78.809 -1.202 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.022 1.161 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.547 3.584 2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.271 0.307 0.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.692 4.975 1.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.615 2.208 -0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.708 4.512 -0.066 1.00 0.00 H new ATOM 519 N TYR A 37 77.659 -3.421 0.265 1.00 0.00 N ATOM 520 CA TYR A 37 77.888 -4.851 0.081 1.00 0.00 C ATOM 521 C TYR A 37 79.379 -5.096 -0.130 1.00 0.00 C ATOM 522 O TYR A 37 80.091 -4.241 -0.656 1.00 0.00 O ATOM 523 CB TYR A 37 77.092 -5.376 -1.120 1.00 0.00 C ATOM 524 CG TYR A 37 75.766 -5.952 -0.676 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.718 -7.247 -0.147 1.00 0.00 C ATOM 526 CD2 TYR A 37 74.608 -5.164 -0.693 1.00 0.00 C ATOM 527 CE1 TYR A 37 74.493 -7.799 0.242 1.00 0.00 C ATOM 528 CE2 TYR A 37 73.391 -5.702 -0.259 1.00 0.00 C ATOM 529 CZ TYR A 37 73.335 -7.015 0.224 1.00 0.00 C ATOM 530 OH TYR A 37 72.134 -7.559 0.627 1.00 0.00 O ATOM 0 H TYR A 37 78.093 -2.841 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 37 77.551 -5.384 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.922 -4.567 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.670 -6.141 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.627 -7.820 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 37 74.654 -4.143 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.441 -8.831 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 37 72.493 -5.103 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 37 72.090 -7.565 1.606 1.00 0.00 H new ATOM 540 N GLN A 38 79.825 -6.302 0.206 1.00 0.00 N ATOM 541 CA GLN A 38 81.213 -6.697 -0.009 1.00 0.00 C ATOM 542 C GLN A 38 81.224 -7.967 -0.853 1.00 0.00 C ATOM 543 O GLN A 38 80.453 -8.893 -0.598 1.00 0.00 O ATOM 544 CB GLN A 38 81.882 -6.955 1.349 1.00 0.00 C ATOM 545 CG GLN A 38 83.184 -6.164 1.493 1.00 0.00 C ATOM 546 CD GLN A 38 84.241 -6.766 0.575 1.00 0.00 C ATOM 547 OE1 GLN A 38 83.988 -7.775 -0.083 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.450 -6.276 0.589 1.00 0.00 N ATOM 0 H GLN A 38 79.243 -7.025 0.630 1.00 0.00 H new ATOM 0 HA GLN A 38 81.762 -5.909 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.197 -6.680 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.088 -8.020 1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.018 -5.117 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.526 -6.190 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.655 -5.440 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.190 -6.729 0.053 1.00 0.00 H new ATOM 557 N GLN A 39 82.203 -8.068 -1.748 1.00 0.00 N ATOM 558 CA GLN A 39 82.316 -9.235 -2.618 1.00 0.00 C ATOM 559 C GLN A 39 83.612 -9.971 -2.303 1.00 0.00 C ATOM 560 O GLN A 39 84.693 -9.581 -2.744 1.00 0.00 O ATOM 561 CB GLN A 39 82.303 -8.781 -4.084 1.00 0.00 C ATOM 562 CG GLN A 39 81.223 -9.516 -4.886 1.00 0.00 C ATOM 563 CD GLN A 39 79.860 -8.884 -4.627 1.00 0.00 C ATOM 564 OE1 GLN A 39 79.770 -7.687 -4.352 1.00 0.00 O ATOM 565 NE2 GLN A 39 78.782 -9.589 -4.827 1.00 0.00 N ATOM 0 H GLN A 39 82.925 -7.361 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 39 81.475 -9.908 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.127 -7.706 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.280 -8.964 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.456 -9.474 -5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.204 -10.569 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.856 -10.580 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 39 77.864 -9.149 -4.756 1.00 0.00 H new ATOM 574 N ARG A 40 83.497 -11.018 -1.494 1.00 0.00 N ATOM 575 CA ARG A 40 84.664 -11.798 -1.100 1.00 0.00 C ATOM 576 C ARG A 40 84.838 -13.003 -2.024 1.00 0.00 C ATOM 577 O ARG A 40 83.914 -13.806 -2.150 1.00 0.00 O ATOM 578 CB ARG A 40 84.516 -12.249 0.357 1.00 0.00 C ATOM 579 CG ARG A 40 85.902 -12.358 1.001 1.00 0.00 C ATOM 580 CD ARG A 40 85.805 -12.919 2.420 1.00 0.00 C ATOM 581 NE ARG A 40 87.142 -13.233 2.911 1.00 0.00 N ATOM 582 CZ ARG A 40 87.754 -14.360 2.563 1.00 0.00 C ATOM 583 NH1 ARG A 40 87.070 -15.470 2.506 1.00 0.00 N ATOM 584 NH2 ARG A 40 89.042 -14.373 2.359 1.00 0.00 N ATOM 0 H ARG A 40 82.614 -11.345 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 40 85.554 -11.175 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.902 -11.537 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.006 -13.211 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.539 -13.002 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 40 86.373 -11.376 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.326 -12.194 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 40 85.184 -13.815 2.427 1.00 0.00 H new ATOM 0 HE ARG A 40 87.615 -12.577 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.074 -15.467 2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 40 87.531 -16.340 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 40 89.584 -13.516 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 40 89.507 -15.241 2.092 1.00 0.00 H new ATOM 598 N PRO A 41 85.965 -13.179 -2.665 1.00 0.00 N ATOM 599 CA PRO A 41 86.152 -14.330 -3.593 1.00 0.00 C ATOM 600 C PRO A 41 85.887 -15.650 -2.874 1.00 0.00 C ATOM 601 O PRO A 41 86.466 -15.916 -1.820 1.00 0.00 O ATOM 602 CB PRO A 41 87.604 -14.233 -4.083 1.00 0.00 C ATOM 603 CG PRO A 41 88.223 -13.031 -3.438 1.00 0.00 C ATOM 604 CD PRO A 41 87.145 -12.299 -2.633 1.00 0.00 C ATOM 0 HA PRO A 41 85.454 -14.298 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.157 -15.135 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.636 -14.143 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.043 -13.332 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.644 -12.370 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.473 -12.120 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.921 -11.326 -3.071 1.00 0.00 H new ATOM 612 N GLY A 42 85.089 -16.517 -3.490 1.00 0.00 N ATOM 613 CA GLY A 42 84.814 -17.835 -2.926 1.00 0.00 C ATOM 614 C GLY A 42 83.444 -17.877 -2.257 1.00 0.00 C ATOM 615 O GLY A 42 82.840 -18.943 -2.140 1.00 0.00 O ATOM 0 H GLY A 42 84.622 -16.332 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.859 -18.587 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.584 -18.089 -2.198 1.00 0.00 H new ATOM 619 N SER A 43 82.955 -16.722 -1.809 1.00 0.00 N ATOM 620 CA SER A 43 81.656 -16.645 -1.143 1.00 0.00 C ATOM 621 C SER A 43 80.760 -15.609 -1.812 1.00 0.00 C ATOM 622 O SER A 43 81.228 -14.738 -2.545 1.00 0.00 O ATOM 623 CB SER A 43 81.835 -16.263 0.329 1.00 0.00 C ATOM 624 OG SER A 43 82.579 -17.272 0.995 1.00 0.00 O ATOM 0 H SER A 43 83.438 -15.828 -1.895 1.00 0.00 H new ATOM 0 HA SER A 43 81.188 -17.627 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 43 82.350 -15.306 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 43 80.862 -16.141 0.805 1.00 0.00 H new ATOM 0 HG SER A 43 82.694 -17.026 1.936 1.00 0.00 H new ATOM 630 N SER A 44 79.464 -15.710 -1.540 1.00 0.00 N ATOM 631 CA SER A 44 78.489 -14.809 -2.141 1.00 0.00 C ATOM 632 C SER A 44 78.655 -13.401 -1.572 1.00 0.00 C ATOM 633 O SER A 44 79.537 -13.168 -0.745 1.00 0.00 O ATOM 634 CB SER A 44 77.079 -15.351 -1.880 1.00 0.00 C ATOM 635 OG SER A 44 77.173 -16.713 -1.489 1.00 0.00 O ATOM 0 H SER A 44 79.065 -16.405 -0.909 1.00 0.00 H new ATOM 0 HA SER A 44 78.649 -14.752 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.590 -14.768 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.468 -15.258 -2.778 1.00 0.00 H new ATOM 0 HG SER A 44 76.275 -17.067 -1.318 1.00 0.00 H new ATOM 641 N PRO A 45 77.821 -12.474 -1.963 1.00 0.00 N ATOM 642 CA PRO A 45 77.869 -11.079 -1.440 1.00 0.00 C ATOM 643 C PRO A 45 77.421 -11.016 0.018 1.00 0.00 C ATOM 644 O PRO A 45 76.631 -11.846 0.466 1.00 0.00 O ATOM 645 CB PRO A 45 76.927 -10.288 -2.358 1.00 0.00 C ATOM 646 CG PRO A 45 76.488 -11.218 -3.445 1.00 0.00 C ATOM 647 CD PRO A 45 76.745 -12.644 -2.954 1.00 0.00 C ATOM 0 HA PRO A 45 78.880 -10.671 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.068 -9.916 -1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.436 -9.420 -2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.431 -11.074 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.040 -11.023 -4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.853 -13.082 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.049 -13.301 -3.769 1.00 0.00 H new ATOM 655 N THR A 46 77.889 -10.005 0.746 1.00 0.00 N ATOM 656 CA THR A 46 77.492 -9.814 2.139 1.00 0.00 C ATOM 657 C THR A 46 77.261 -8.337 2.442 1.00 0.00 C ATOM 658 O THR A 46 78.081 -7.487 2.096 1.00 0.00 O ATOM 659 CB THR A 46 78.580 -10.361 3.065 1.00 0.00 C ATOM 660 OG1 THR A 46 79.802 -9.689 2.796 1.00 0.00 O ATOM 661 CG2 THR A 46 78.750 -11.861 2.812 1.00 0.00 C ATOM 0 H THR A 46 78.543 -9.306 0.395 1.00 0.00 H new ATOM 0 HA THR A 46 76.559 -10.352 2.307 1.00 0.00 H new ATOM 0 HB THR A 46 78.298 -10.199 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.614 -8.773 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.525 -12.255 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.809 -12.373 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.038 -12.024 1.774 1.00 0.00 H new ATOM 669 N THR A 47 76.096 -8.037 3.006 1.00 0.00 N ATOM 670 CA THR A 47 75.772 -6.665 3.373 1.00 0.00 C ATOM 671 C THR A 47 76.737 -6.165 4.441 1.00 0.00 C ATOM 672 O THR A 47 76.778 -6.710 5.543 1.00 0.00 O ATOM 673 CB THR A 47 74.336 -6.595 3.894 1.00 0.00 C ATOM 674 OG1 THR A 47 73.495 -7.365 3.047 1.00 0.00 O ATOM 675 CG2 THR A 47 73.841 -5.145 3.908 1.00 0.00 C ATOM 0 H THR A 47 75.367 -8.719 3.217 1.00 0.00 H new ATOM 0 HA THR A 47 75.865 -6.031 2.491 1.00 0.00 H new ATOM 0 HB THR A 47 74.310 -6.988 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.868 -7.379 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.817 -5.114 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.482 -4.548 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.871 -4.741 2.896 1.00 0.00 H new ATOM 683 N VAL A 48 77.316 -4.989 4.216 1.00 0.00 N ATOM 684 CA VAL A 48 78.248 -4.422 5.187 1.00 0.00 C ATOM 685 C VAL A 48 77.515 -3.420 6.073 1.00 0.00 C ATOM 686 O VAL A 48 77.715 -3.412 7.287 1.00 0.00 O ATOM 687 CB VAL A 48 79.410 -3.719 4.473 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.413 -3.140 5.487 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.107 -4.697 3.515 1.00 0.00 C ATOM 0 H VAL A 48 77.161 -4.418 3.385 1.00 0.00 H new ATOM 0 HA VAL A 48 78.650 -5.230 5.798 1.00 0.00 H new ATOM 0 HB VAL A 48 79.008 -2.888 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.226 -2.648 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 48 79.907 -2.416 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.817 -3.946 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.930 -4.189 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.494 -5.546 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.392 -5.051 2.772 1.00 0.00 H new ATOM 699 N ILE A 49 76.669 -2.574 5.488 1.00 0.00 N ATOM 700 CA ILE A 49 75.941 -1.581 6.272 1.00 0.00 C ATOM 701 C ILE A 49 74.540 -1.359 5.708 1.00 0.00 C ATOM 702 O ILE A 49 74.212 -1.849 4.626 1.00 0.00 O ATOM 703 CB ILE A 49 76.709 -0.256 6.296 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.121 -0.511 6.835 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.944 0.752 7.164 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.910 0.792 6.965 1.00 0.00 C ATOM 0 H ILE A 49 76.473 -2.556 4.487 1.00 0.00 H new ATOM 0 HA ILE A 49 75.847 -1.958 7.290 1.00 0.00 H new ATOM 0 HB ILE A 49 76.797 0.161 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.059 -0.999 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.649 -1.193 6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.485 1.698 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.950 0.912 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.852 0.363 8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.907 0.577 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 78.993 1.266 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.393 1.463 7.651 1.00 0.00 H new ATOM 718 N TYR A 50 73.713 -0.629 6.457 1.00 0.00 N ATOM 719 CA TYR A 50 72.342 -0.333 6.044 1.00 0.00 C ATOM 720 C TYR A 50 72.035 1.155 6.196 1.00 0.00 C ATOM 721 O TYR A 50 72.709 1.872 6.932 1.00 0.00 O ATOM 722 CB TYR A 50 71.353 -1.169 6.868 1.00 0.00 C ATOM 723 CG TYR A 50 70.517 -2.063 5.981 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.981 -3.343 5.658 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.292 -1.612 5.476 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.210 -4.184 4.846 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.535 -2.441 4.639 1.00 0.00 C ATOM 728 CZ TYR A 50 68.999 -3.721 4.318 1.00 0.00 C ATOM 729 OH TYR A 50 68.242 -4.541 3.506 1.00 0.00 O ATOM 0 H TYR A 50 73.972 -0.230 7.359 1.00 0.00 H new ATOM 0 HA TYR A 50 72.236 -0.594 4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 71.900 -1.777 7.589 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.701 -0.507 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.934 -3.683 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.931 -0.627 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.548 -5.186 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.593 -2.092 4.241 1.00 0.00 H new ATOM 0 HH TYR A 50 68.185 -4.151 2.609 1.00 0.00 H new ATOM 739 N GLU A 51 71.105 1.619 5.366 1.00 0.00 N ATOM 740 CA GLU A 51 70.733 3.029 5.326 1.00 0.00 C ATOM 741 C GLU A 51 71.987 3.897 5.368 1.00 0.00 C ATOM 742 O GLU A 51 71.946 5.068 5.751 1.00 0.00 O ATOM 743 CB GLU A 51 69.843 3.363 6.523 1.00 0.00 C ATOM 744 CG GLU A 51 68.518 2.605 6.412 1.00 0.00 C ATOM 745 CD GLU A 51 67.670 2.843 7.660 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.123 3.569 8.531 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.567 2.320 7.712 1.00 0.00 O ATOM 0 H GLU A 51 70.592 1.033 4.707 1.00 0.00 H new ATOM 0 HA GLU A 51 70.188 3.226 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.349 3.095 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.656 4.436 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.975 2.934 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.709 1.539 6.291 1.00 0.00 H new ATOM 754 N ASP A 52 73.105 3.293 4.988 1.00 0.00 N ATOM 755 CA ASP A 52 74.376 4.001 4.936 1.00 0.00 C ATOM 756 C ASP A 52 74.593 4.823 6.204 1.00 0.00 C ATOM 757 O ASP A 52 75.420 5.735 6.219 1.00 0.00 O ATOM 758 CB ASP A 52 74.414 4.916 3.710 1.00 0.00 C ATOM 759 CG ASP A 52 75.839 5.409 3.482 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.684 5.126 4.315 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.065 6.074 2.484 1.00 0.00 O ATOM 0 H ASP A 52 73.157 2.313 4.711 1.00 0.00 H new ATOM 0 HA ASP A 52 75.176 3.264 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.060 4.377 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.744 5.764 3.856 1.00 0.00 H new ATOM 766 N ASN A 53 73.871 4.487 7.272 1.00 0.00 N ATOM 767 CA ASN A 53 73.982 5.209 8.537 1.00 0.00 C ATOM 768 C ASN A 53 74.601 4.339 9.628 1.00 0.00 C ATOM 769 O ASN A 53 75.288 4.846 10.517 1.00 0.00 O ATOM 770 CB ASN A 53 72.604 5.709 8.980 1.00 0.00 C ATOM 771 CG ASN A 53 72.094 6.758 7.997 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.948 6.579 7.400 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 72.778 7.747 7.731 1.00 0.00 N flip ATOM 0 H ASN A 53 73.202 3.717 7.285 1.00 0.00 H new ATOM 0 HA ASN A 53 74.642 6.062 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.904 4.875 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.666 6.135 9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 53 73.674 7.888 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.448 8.425 7.044 1.00 0.00 H new ATOM 780 N GLN A 54 74.335 3.038 9.587 1.00 0.00 N ATOM 781 CA GLN A 54 74.763 2.141 10.656 1.00 0.00 C ATOM 782 C GLN A 54 74.389 0.705 10.311 1.00 0.00 C ATOM 783 O GLN A 54 73.638 0.459 9.366 1.00 0.00 O ATOM 784 CB GLN A 54 74.115 2.520 11.994 1.00 0.00 C ATOM 785 CG GLN A 54 72.723 3.116 11.764 1.00 0.00 C ATOM 786 CD GLN A 54 71.881 3.012 13.032 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.258 3.991 13.442 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.769 1.866 13.644 1.00 0.00 N ATOM 0 H GLN A 54 73.827 2.582 8.829 1.00 0.00 H new ATOM 0 HA GLN A 54 75.845 2.232 10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.039 1.639 12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.743 3.240 12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.813 4.160 11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.227 2.592 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.285 1.054 13.305 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.165 1.781 14.462 1.00 0.00 H new ATOM 797 N ARG A 55 75.086 -0.238 10.939 1.00 0.00 N ATOM 798 CA ARG A 55 74.916 -1.653 10.629 1.00 0.00 C ATOM 799 C ARG A 55 74.186 -2.367 11.767 1.00 0.00 C ATOM 800 O ARG A 55 74.357 -2.004 12.932 1.00 0.00 O ATOM 801 CB ARG A 55 76.296 -2.282 10.419 1.00 0.00 C ATOM 802 CG ARG A 55 77.069 -2.316 11.741 1.00 0.00 C ATOM 803 CD ARG A 55 78.581 -2.400 11.498 1.00 0.00 C ATOM 804 NE ARG A 55 79.211 -1.131 11.842 1.00 0.00 N ATOM 805 CZ ARG A 55 78.865 -0.006 11.226 1.00 0.00 C ATOM 806 NH1 ARG A 55 78.514 -0.034 9.970 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.822 1.118 11.888 1.00 0.00 N ATOM 0 H ARG A 55 75.775 -0.047 11.667 1.00 0.00 H new ATOM 0 HA ARG A 55 74.319 -1.755 9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.187 -3.293 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.855 -1.711 9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.841 -1.422 12.322 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.745 -3.172 12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.010 -3.203 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.777 -2.642 10.453 1.00 0.00 H new ATOM 0 HE ARG A 55 79.928 -1.107 12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.505 -0.919 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.248 0.829 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.054 1.134 12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.556 1.980 11.412 1.00 0.00 H new ATOM 821 N PRO A 56 73.513 -3.453 11.490 1.00 0.00 N ATOM 822 CA PRO A 56 72.765 -4.211 12.534 1.00 0.00 C ATOM 823 C PRO A 56 73.681 -4.606 13.690 1.00 0.00 C ATOM 824 O PRO A 56 74.900 -4.639 13.532 1.00 0.00 O ATOM 825 CB PRO A 56 72.217 -5.449 11.807 1.00 0.00 C ATOM 826 CG PRO A 56 72.686 -5.374 10.388 1.00 0.00 C ATOM 827 CD PRO A 56 73.191 -3.952 10.143 1.00 0.00 C ATOM 0 HA PRO A 56 71.968 -3.616 12.979 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.573 -6.363 12.282 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.128 -5.470 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.480 -6.099 10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.873 -5.615 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.067 -3.945 9.495 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.432 -3.336 9.660 1.00 0.00 H new ATOM 835 N SER A 57 73.102 -4.910 14.848 1.00 0.00 N ATOM 836 CA SER A 57 73.904 -5.407 15.960 1.00 0.00 C ATOM 837 C SER A 57 74.404 -6.819 15.679 1.00 0.00 C ATOM 838 O SER A 57 73.662 -7.663 15.174 1.00 0.00 O ATOM 839 CB SER A 57 73.088 -5.393 17.254 1.00 0.00 C ATOM 840 OG SER A 57 73.000 -4.059 17.730 1.00 0.00 O ATOM 0 H SER A 57 72.104 -4.824 15.039 1.00 0.00 H new ATOM 0 HA SER A 57 74.766 -4.749 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.091 -5.795 17.075 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.559 -6.030 18.003 1.00 0.00 H new ATOM 0 HG SER A 57 72.477 -4.041 18.559 1.00 0.00 H new ATOM 846 N GLY A 58 75.621 -7.107 16.133 1.00 0.00 N ATOM 847 CA GLY A 58 76.190 -8.445 16.018 1.00 0.00 C ATOM 848 C GLY A 58 77.168 -8.533 14.850 1.00 0.00 C ATOM 849 O GLY A 58 78.225 -9.153 14.967 1.00 0.00 O ATOM 0 H GLY A 58 76.233 -6.428 16.585 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.702 -8.706 16.944 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.390 -9.172 15.881 1.00 0.00 H new ATOM 853 N VAL A 59 76.866 -7.843 13.754 1.00 0.00 N ATOM 854 CA VAL A 59 77.761 -7.850 12.601 1.00 0.00 C ATOM 855 C VAL A 59 79.022 -7.053 12.928 1.00 0.00 C ATOM 856 O VAL A 59 78.953 -6.071 13.668 1.00 0.00 O ATOM 857 CB VAL A 59 77.054 -7.233 11.388 1.00 0.00 C ATOM 858 CG1 VAL A 59 75.704 -7.928 11.186 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.861 -5.723 11.590 1.00 0.00 C ATOM 0 H VAL A 59 76.023 -7.281 13.640 1.00 0.00 H new ATOM 0 HA VAL A 59 78.036 -8.878 12.365 1.00 0.00 H new ATOM 0 HB VAL A 59 77.668 -7.376 10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.196 -7.494 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.865 -8.992 11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.089 -7.793 12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.358 -5.301 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.255 -5.549 12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.833 -5.245 11.714 1.00 0.00 H new ATOM 869 N PRO A 60 80.147 -7.375 12.347 1.00 0.00 N ATOM 870 CA PRO A 60 81.425 -6.691 12.693 1.00 0.00 C ATOM 871 C PRO A 60 81.311 -5.186 12.463 1.00 0.00 C ATOM 872 O PRO A 60 80.584 -4.758 11.568 1.00 0.00 O ATOM 873 CB PRO A 60 82.476 -7.319 11.766 1.00 0.00 C ATOM 874 CG PRO A 60 81.783 -8.359 10.942 1.00 0.00 C ATOM 875 CD PRO A 60 80.389 -8.579 11.536 1.00 0.00 C ATOM 0 HA PRO A 60 81.689 -6.816 13.743 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.926 -6.560 11.126 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.283 -7.765 12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.708 -8.036 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.351 -9.290 10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.637 -8.691 10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.354 -9.483 12.145 1.00 0.00 H new ATOM 883 N ASP A 61 82.059 -4.392 13.227 1.00 0.00 N ATOM 884 CA ASP A 61 82.005 -2.936 13.113 1.00 0.00 C ATOM 885 C ASP A 61 83.280 -2.385 12.484 1.00 0.00 C ATOM 886 O ASP A 61 83.628 -1.225 12.700 1.00 0.00 O ATOM 887 CB ASP A 61 81.800 -2.312 14.497 1.00 0.00 C ATOM 888 CG ASP A 61 81.187 -0.920 14.372 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.971 -0.834 14.310 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.945 0.023 14.218 1.00 0.00 O ATOM 0 H ASP A 61 82.711 -4.734 13.933 1.00 0.00 H new ATOM 0 HA ASP A 61 81.166 -2.678 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.150 -2.949 15.097 1.00 0.00 H new ATOM 0 HB3 ASP A 61 82.755 -2.249 15.019 1.00 0.00 H new ATOM 895 N ARG A 62 83.990 -3.223 11.738 1.00 0.00 N ATOM 896 CA ARG A 62 85.244 -2.790 11.135 1.00 0.00 C ATOM 897 C ARG A 62 84.975 -1.766 10.036 1.00 0.00 C ATOM 898 O ARG A 62 85.883 -1.064 9.591 1.00 0.00 O ATOM 899 CB ARG A 62 85.975 -3.997 10.544 1.00 0.00 C ATOM 900 CG ARG A 62 86.347 -4.970 11.664 1.00 0.00 C ATOM 901 CD ARG A 62 87.031 -6.192 11.048 1.00 0.00 C ATOM 902 NE ARG A 62 88.262 -5.786 10.374 1.00 0.00 N ATOM 903 CZ ARG A 62 88.578 -6.225 9.159 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.927 -7.225 8.632 1.00 0.00 N ATOM 905 NH2 ARG A 62 89.497 -5.610 8.465 1.00 0.00 N ATOM 0 H ARG A 62 83.726 -4.188 11.539 1.00 0.00 H new ATOM 0 HA ARG A 62 85.864 -2.329 11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.341 -4.496 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.873 -3.670 10.019 1.00 0.00 H new ATOM 0 HG2 ARG A 62 87.012 -4.486 12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.455 -5.273 12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.255 -6.924 11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.360 -6.676 10.338 1.00 0.00 H new ATOM 0 HE ARG A 62 88.898 -5.146 10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 62 87.173 -7.673 9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 62 88.172 -7.559 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 62 89.971 -4.795 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.741 -5.944 7.533 1.00 0.00 H new ATOM 919 N PHE A 63 83.714 -1.673 9.621 1.00 0.00 N ATOM 920 CA PHE A 63 83.311 -0.742 8.570 1.00 0.00 C ATOM 921 C PHE A 63 82.318 0.278 9.116 1.00 0.00 C ATOM 922 O PHE A 63 81.595 0.008 10.074 1.00 0.00 O ATOM 923 CB PHE A 63 82.701 -1.488 7.375 1.00 0.00 C ATOM 924 CG PHE A 63 83.068 -2.951 7.432 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.224 -3.846 8.098 1.00 0.00 C ATOM 926 CD2 PHE A 63 84.202 -3.425 6.762 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.510 -5.216 8.077 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.529 -4.785 6.809 1.00 0.00 C ATOM 929 CZ PHE A 63 83.696 -5.677 7.494 1.00 0.00 C ATOM 0 H PHE A 63 82.950 -2.234 9.999 1.00 0.00 H new ATOM 0 HA PHE A 63 84.202 -0.218 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.617 -1.377 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.060 -1.052 6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.355 -3.481 8.626 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.826 -2.740 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.814 -5.919 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.421 -5.145 6.318 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.968 -6.719 7.573 1.00 0.00 H new ATOM 939 N SER A 64 82.245 1.426 8.450 1.00 0.00 N ATOM 940 CA SER A 64 81.276 2.453 8.824 1.00 0.00 C ATOM 941 C SER A 64 80.807 3.215 7.589 1.00 0.00 C ATOM 942 O SER A 64 81.621 3.557 6.738 1.00 0.00 O ATOM 943 CB SER A 64 81.910 3.405 9.842 1.00 0.00 C ATOM 944 OG SER A 64 80.976 3.684 10.874 1.00 0.00 O ATOM 0 H SER A 64 82.838 1.668 7.656 1.00 0.00 H new ATOM 0 HA SER A 64 80.405 1.980 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.810 2.957 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.213 4.330 9.351 1.00 0.00 H new ATOM 0 HG SER A 64 81.382 4.292 11.527 1.00 0.00 H new ATOM 950 N GLY A 65 79.512 3.509 7.506 1.00 0.00 N ATOM 951 CA GLY A 65 78.959 4.240 6.368 1.00 0.00 C ATOM 952 C GLY A 65 78.701 5.698 6.737 1.00 0.00 C ATOM 953 O GLY A 65 78.244 5.991 7.841 1.00 0.00 O ATOM 0 H GLY A 65 78.825 3.252 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.650 4.190 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.029 3.771 6.045 1.00 0.00 H new ATOM 957 N SER A 66 78.950 6.608 5.798 1.00 0.00 N ATOM 958 CA SER A 66 78.684 8.028 6.011 1.00 0.00 C ATOM 959 C SER A 66 78.160 8.676 4.734 1.00 0.00 C ATOM 960 O SER A 66 78.557 8.297 3.633 1.00 0.00 O ATOM 961 CB SER A 66 79.965 8.738 6.461 1.00 0.00 C ATOM 962 OG SER A 66 79.888 10.121 6.146 1.00 0.00 O ATOM 0 H SER A 66 79.336 6.386 4.880 1.00 0.00 H new ATOM 0 HA SER A 66 77.925 8.123 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.105 8.608 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.830 8.292 5.970 1.00 0.00 H new ATOM 0 HG SER A 66 80.709 10.569 6.438 1.00 0.00 H new ATOM 968 N ILE A 67 77.272 9.657 4.888 1.00 0.00 N ATOM 969 CA ILE A 67 76.656 10.342 3.753 1.00 0.00 C ATOM 970 C ILE A 67 76.867 11.851 3.844 1.00 0.00 C ATOM 971 O ILE A 67 76.888 12.415 4.937 1.00 0.00 O ATOM 972 CB ILE A 67 75.159 10.020 3.692 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.467 10.478 4.980 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.970 8.509 3.491 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.951 10.354 4.814 1.00 0.00 C ATOM 0 H ILE A 67 76.961 9.998 5.798 1.00 0.00 H new ATOM 0 HA ILE A 67 77.134 9.987 2.840 1.00 0.00 H new ATOM 0 HB ILE A 67 74.709 10.551 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.803 9.872 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.736 11.510 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.906 8.278 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.446 8.204 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.424 7.972 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.457 10.679 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.624 10.979 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.691 9.315 4.611 1.00 0.00 H new ATOM 987 N ASP A 68 77.126 12.486 2.703 1.00 0.00 N ATOM 988 CA ASP A 68 77.396 13.922 2.657 1.00 0.00 C ATOM 989 C ASP A 68 76.449 14.652 1.709 1.00 0.00 C ATOM 990 O ASP A 68 76.665 14.672 0.498 1.00 0.00 O ATOM 991 CB ASP A 68 78.837 14.160 2.205 1.00 0.00 C ATOM 992 CG ASP A 68 79.806 13.735 3.305 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.389 13.701 4.451 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.925 13.378 2.975 1.00 0.00 O ATOM 0 H ASP A 68 77.155 12.026 1.793 1.00 0.00 H new ATOM 0 HA ASP A 68 77.240 14.317 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.039 13.597 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.983 15.214 1.967 1.00 0.00 H new ATOM 999 N SER A 69 75.359 15.185 2.250 1.00 0.00 N ATOM 1000 CA SER A 69 74.375 15.876 1.425 1.00 0.00 C ATOM 1001 C SER A 69 75.029 17.040 0.688 1.00 0.00 C ATOM 1002 O SER A 69 74.633 17.392 -0.422 1.00 0.00 O ATOM 1003 CB SER A 69 73.233 16.397 2.299 1.00 0.00 C ATOM 1004 OG SER A 69 73.697 17.486 3.083 1.00 0.00 O ATOM 0 H SER A 69 75.136 15.153 3.245 1.00 0.00 H new ATOM 0 HA SER A 69 73.976 15.172 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.398 16.714 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.863 15.601 2.945 1.00 0.00 H new ATOM 0 HG SER A 69 72.965 17.822 3.642 1.00 0.00 H new ATOM 1010 N SER A 70 75.995 17.670 1.349 1.00 0.00 N ATOM 1011 CA SER A 70 76.706 18.801 0.765 1.00 0.00 C ATOM 1012 C SER A 70 77.593 18.348 -0.391 1.00 0.00 C ATOM 1013 O SER A 70 77.559 18.927 -1.478 1.00 0.00 O ATOM 1014 CB SER A 70 77.595 19.432 1.836 1.00 0.00 C ATOM 1015 OG SER A 70 76.852 19.596 3.036 1.00 0.00 O ATOM 0 H SER A 70 76.303 17.417 2.288 1.00 0.00 H new ATOM 0 HA SER A 70 75.973 19.517 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.465 18.801 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.967 20.397 1.492 1.00 0.00 H new ATOM 0 HG SER A 70 77.424 19.999 3.722 1.00 0.00 H new ATOM 1021 N SER A 71 78.407 17.331 -0.134 1.00 0.00 N ATOM 1022 CA SER A 71 79.327 16.831 -1.148 1.00 0.00 C ATOM 1023 C SER A 71 78.567 15.982 -2.160 1.00 0.00 C ATOM 1024 O SER A 71 79.148 15.462 -3.114 1.00 0.00 O ATOM 1025 CB SER A 71 80.428 15.988 -0.502 1.00 0.00 C ATOM 1026 OG SER A 71 81.508 15.843 -1.414 1.00 0.00 O ATOM 0 H SER A 71 78.449 16.840 0.759 1.00 0.00 H new ATOM 0 HA SER A 71 79.783 17.682 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.774 16.463 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.037 15.009 -0.226 1.00 0.00 H new ATOM 0 HG SER A 71 81.162 15.823 -2.331 1.00 0.00 H new ATOM 1032 N ASN A 72 77.277 15.789 -1.905 1.00 0.00 N ATOM 1033 CA ASN A 72 76.452 14.998 -2.811 1.00 0.00 C ATOM 1034 C ASN A 72 77.069 13.620 -3.022 1.00 0.00 C ATOM 1035 O ASN A 72 76.951 13.037 -4.099 1.00 0.00 O ATOM 1036 CB ASN A 72 76.317 15.714 -4.157 1.00 0.00 C ATOM 1037 CG ASN A 72 75.236 15.049 -5.004 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.117 15.555 -5.088 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.531 14.003 -5.727 1.00 0.00 N ATOM 0 H ASN A 72 76.786 16.162 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 72 75.464 14.879 -2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.068 16.763 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.269 15.690 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.835 13.607 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.457 13.581 -5.660 1.00 0.00 H new ATOM 1046 N SER A 73 77.813 13.129 -2.035 1.00 0.00 N ATOM 1047 CA SER A 73 78.463 11.829 -2.171 1.00 0.00 C ATOM 1048 C SER A 73 78.442 11.090 -0.839 1.00 0.00 C ATOM 1049 O SER A 73 78.222 11.693 0.211 1.00 0.00 O ATOM 1050 CB SER A 73 79.909 12.005 -2.637 1.00 0.00 C ATOM 1051 OG SER A 73 80.634 12.745 -1.666 1.00 0.00 O ATOM 0 H SER A 73 77.979 13.602 -1.147 1.00 0.00 H new ATOM 0 HA SER A 73 77.918 11.246 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.374 11.031 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.933 12.523 -3.596 1.00 0.00 H new ATOM 0 HG SER A 73 80.738 13.671 -1.971 1.00 0.00 H new ATOM 1057 N ALA A 74 78.678 9.782 -0.885 1.00 0.00 N ATOM 1058 CA ALA A 74 78.693 8.967 0.325 1.00 0.00 C ATOM 1059 C ALA A 74 80.060 8.322 0.509 1.00 0.00 C ATOM 1060 O ALA A 74 80.738 7.982 -0.460 1.00 0.00 O ATOM 1061 CB ALA A 74 77.627 7.871 0.243 1.00 0.00 C ATOM 0 H ALA A 74 78.861 9.265 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 74 78.480 9.615 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.651 7.272 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.643 8.328 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.827 7.232 -0.617 1.00 0.00 H new ATOM 1067 N SER A 75 80.483 8.218 1.765 1.00 0.00 N ATOM 1068 CA SER A 75 81.794 7.662 2.078 1.00 0.00 C ATOM 1069 C SER A 75 81.696 6.701 3.258 1.00 0.00 C ATOM 1070 O SER A 75 80.842 6.872 4.128 1.00 0.00 O ATOM 1071 CB SER A 75 82.771 8.794 2.411 1.00 0.00 C ATOM 1072 OG SER A 75 82.384 9.970 1.718 1.00 0.00 O ATOM 0 H SER A 75 79.940 8.510 2.578 1.00 0.00 H new ATOM 0 HA SER A 75 82.158 7.114 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.779 8.978 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.785 8.509 2.129 1.00 0.00 H new ATOM 0 HG SER A 75 83.007 10.696 1.931 1.00 0.00 H new ATOM 1078 N LEU A 76 82.474 5.621 3.209 1.00 0.00 N ATOM 1079 CA LEU A 76 82.548 4.665 4.312 1.00 0.00 C ATOM 1080 C LEU A 76 83.858 4.810 5.083 1.00 0.00 C ATOM 1081 O LEU A 76 84.912 5.056 4.498 1.00 0.00 O ATOM 1082 CB LEU A 76 82.312 3.234 3.805 1.00 0.00 C ATOM 1083 CG LEU A 76 83.197 2.192 4.504 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.618 0.787 4.307 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.641 2.267 3.988 1.00 0.00 C ATOM 0 H LEU A 76 83.065 5.385 2.412 1.00 0.00 H new ATOM 0 HA LEU A 76 81.750 4.888 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.265 2.971 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.500 3.200 2.732 1.00 0.00 H new ATOM 0 HG LEU A 76 83.213 2.412 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.255 0.058 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.615 0.744 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.572 0.558 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.249 1.520 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.654 2.075 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.046 3.260 4.184 1.00 0.00 H new ATOM 1097 N THR A 77 83.768 4.739 6.409 1.00 0.00 N ATOM 1098 CA THR A 77 84.950 4.769 7.266 1.00 0.00 C ATOM 1099 C THR A 77 85.231 3.380 7.833 1.00 0.00 C ATOM 1100 O THR A 77 84.404 2.818 8.552 1.00 0.00 O ATOM 1101 CB THR A 77 84.697 5.764 8.406 1.00 0.00 C ATOM 1102 OG1 THR A 77 83.771 6.745 7.960 1.00 0.00 O ATOM 1103 CG2 THR A 77 85.991 6.460 8.834 1.00 0.00 C ATOM 0 H THR A 77 82.886 4.660 6.914 1.00 0.00 H new ATOM 0 HA THR A 77 85.819 5.079 6.686 1.00 0.00 H new ATOM 0 HB THR A 77 84.302 5.217 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 77 83.600 7.386 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 77 85.778 7.159 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.709 5.715 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 77 86.409 7.003 7.987 1.00 0.00 H new ATOM 1111 N ILE A 78 86.443 2.883 7.609 1.00 0.00 N ATOM 1112 CA ILE A 78 86.864 1.594 8.154 1.00 0.00 C ATOM 1113 C ILE A 78 87.971 1.798 9.183 1.00 0.00 C ATOM 1114 O ILE A 78 88.954 2.489 8.922 1.00 0.00 O ATOM 1115 CB ILE A 78 87.335 0.712 6.992 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.173 -0.111 6.429 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.465 -0.240 7.397 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.542 -0.668 5.052 1.00 0.00 C ATOM 0 H ILE A 78 87.155 3.355 7.051 1.00 0.00 H new ATOM 0 HA ILE A 78 86.034 1.103 8.662 1.00 0.00 H new ATOM 0 HB ILE A 78 87.717 1.391 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.934 -0.929 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.281 0.510 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.760 -0.841 6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.320 0.338 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 78 88.119 -0.896 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.709 -1.252 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.759 0.156 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.422 -1.306 5.141 1.00 0.00 H new ATOM 1130 N SER A 79 87.894 1.030 10.267 1.00 0.00 N ATOM 1131 CA SER A 79 88.876 1.099 11.344 1.00 0.00 C ATOM 1132 C SER A 79 89.644 -0.215 11.456 1.00 0.00 C ATOM 1133 O SER A 79 89.047 -1.285 11.566 1.00 0.00 O ATOM 1134 CB SER A 79 88.169 1.416 12.663 1.00 0.00 C ATOM 1135 OG SER A 79 87.846 2.800 12.692 1.00 0.00 O ATOM 0 H SER A 79 87.153 0.346 10.423 1.00 0.00 H new ATOM 0 HA SER A 79 89.590 1.891 11.121 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.264 0.816 12.759 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.812 1.161 13.506 1.00 0.00 H new ATOM 0 HG SER A 79 87.391 3.012 13.534 1.00 0.00 H new ATOM 1141 N GLY A 80 90.963 -0.131 11.319 1.00 0.00 N ATOM 1142 CA GLY A 80 91.817 -1.302 11.474 1.00 0.00 C ATOM 1143 C GLY A 80 91.510 -2.356 10.415 1.00 0.00 C ATOM 1144 O GLY A 80 90.788 -3.320 10.671 1.00 0.00 O ATOM 0 H GLY A 80 91.462 0.732 11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.863 -1.004 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.676 -1.729 12.467 1.00 0.00 H new ATOM 1148 N LEU A 81 91.970 -2.099 9.194 1.00 0.00 N ATOM 1149 CA LEU A 81 91.742 -3.011 8.078 1.00 0.00 C ATOM 1150 C LEU A 81 92.647 -4.234 8.175 1.00 0.00 C ATOM 1151 O LEU A 81 93.777 -4.142 8.655 1.00 0.00 O ATOM 1152 CB LEU A 81 91.965 -2.317 6.730 1.00 0.00 C ATOM 1153 CG LEU A 81 93.411 -1.822 6.581 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.728 -1.460 5.123 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.689 -0.644 7.523 1.00 0.00 C ATOM 0 H LEU A 81 92.504 -1.264 8.952 1.00 0.00 H new ATOM 0 HA LEU A 81 90.702 -3.331 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.732 -3.009 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.280 -1.474 6.636 1.00 0.00 H new ATOM 0 HG LEU A 81 94.074 -2.638 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.759 -1.113 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.596 -2.339 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.055 -0.670 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.720 -0.313 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.013 0.178 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.532 -0.958 8.555 1.00 0.00 H new ATOM 1167 N LYS A 82 92.156 -5.378 7.706 1.00 0.00 N ATOM 1168 CA LYS A 82 92.918 -6.621 7.771 1.00 0.00 C ATOM 1169 C LYS A 82 92.620 -7.479 6.546 1.00 0.00 C ATOM 1170 O LYS A 82 91.810 -7.104 5.700 1.00 0.00 O ATOM 1171 CB LYS A 82 92.540 -7.388 9.040 1.00 0.00 C ATOM 1172 CG LYS A 82 92.881 -6.547 10.272 1.00 0.00 C ATOM 1173 CD LYS A 82 92.507 -7.315 11.542 1.00 0.00 C ATOM 1174 CE LYS A 82 93.444 -8.506 11.773 1.00 0.00 C ATOM 1175 NZ LYS A 82 93.965 -8.439 13.168 1.00 0.00 N ATOM 0 H LYS A 82 91.235 -5.470 7.277 1.00 0.00 H new ATOM 0 HA LYS A 82 93.982 -6.387 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.476 -7.623 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.075 -8.337 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.945 -6.310 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.344 -5.599 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.550 -6.644 12.400 1.00 0.00 H new ATOM 0 HD3 LYS A 82 91.479 -7.669 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.911 -9.443 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.268 -8.483 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.603 -9.242 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.485 -7.549 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.170 -8.479 13.838 1.00 0.00 H new ATOM 1189 N THR A 83 93.298 -8.614 6.417 1.00 0.00 N ATOM 1190 CA THR A 83 93.076 -9.482 5.267 1.00 0.00 C ATOM 1191 C THR A 83 91.624 -9.932 5.211 1.00 0.00 C ATOM 1192 O THR A 83 91.068 -10.168 4.138 1.00 0.00 O ATOM 1193 CB THR A 83 93.991 -10.706 5.347 1.00 0.00 C ATOM 1194 OG1 THR A 83 93.628 -11.495 6.471 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.440 -10.235 5.499 1.00 0.00 C ATOM 0 H THR A 83 93.994 -8.950 7.082 1.00 0.00 H new ATOM 0 HA THR A 83 93.306 -8.919 4.362 1.00 0.00 H new ATOM 0 HB THR A 83 93.891 -11.303 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.212 -12.280 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.100 -11.101 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.716 -9.625 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.537 -9.644 6.409 1.00 0.00 H new ATOM 1203 N GLU A 84 91.026 -10.042 6.390 1.00 0.00 N ATOM 1204 CA GLU A 84 89.620 -10.413 6.478 1.00 0.00 C ATOM 1205 C GLU A 84 88.770 -9.450 5.657 1.00 0.00 C ATOM 1206 O GLU A 84 87.576 -9.680 5.465 1.00 0.00 O ATOM 1207 CB GLU A 84 89.155 -10.414 7.936 1.00 0.00 C ATOM 1208 CG GLU A 84 87.681 -10.825 8.007 1.00 0.00 C ATOM 1209 CD GLU A 84 87.329 -11.303 9.412 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.783 -10.684 10.360 1.00 0.00 O ATOM 1211 OE2 GLU A 84 86.585 -12.264 9.518 1.00 0.00 O ATOM 0 H GLU A 84 91.485 -9.882 7.287 1.00 0.00 H new ATOM 0 HA GLU A 84 89.502 -11.419 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.763 -11.103 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.288 -9.423 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.048 -9.981 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.483 -11.618 7.286 1.00 0.00 H new ATOM 1218 N ASP A 85 89.392 -8.382 5.161 1.00 0.00 N ATOM 1219 CA ASP A 85 88.701 -7.421 4.304 1.00 0.00 C ATOM 1220 C ASP A 85 89.202 -7.538 2.868 1.00 0.00 C ATOM 1221 O ASP A 85 88.484 -7.199 1.927 1.00 0.00 O ATOM 1222 CB ASP A 85 88.934 -5.994 4.811 1.00 0.00 C ATOM 1223 CG ASP A 85 88.028 -5.703 6.003 1.00 0.00 C ATOM 1224 OD1 ASP A 85 87.300 -6.599 6.395 1.00 0.00 O ATOM 1225 OD2 ASP A 85 88.013 -4.567 6.448 1.00 0.00 O ATOM 0 H ASP A 85 90.372 -8.161 5.338 1.00 0.00 H new ATOM 0 HA ASP A 85 87.634 -7.642 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.978 -5.869 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.736 -5.280 4.012 1.00 0.00 H new ATOM 1230 N GLU A 86 90.433 -8.011 2.699 1.00 0.00 N ATOM 1231 CA GLU A 86 91.004 -8.155 1.364 1.00 0.00 C ATOM 1232 C GLU A 86 89.976 -8.681 0.368 1.00 0.00 C ATOM 1233 O GLU A 86 89.768 -9.889 0.265 1.00 0.00 O ATOM 1234 CB GLU A 86 92.188 -9.121 1.434 1.00 0.00 C ATOM 1235 CG GLU A 86 92.790 -9.323 0.043 1.00 0.00 C ATOM 1236 CD GLU A 86 94.188 -9.926 0.154 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.731 -9.924 1.247 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.716 -10.339 -0.865 1.00 0.00 O ATOM 0 H GLU A 86 91.048 -8.298 3.460 1.00 0.00 H new ATOM 0 HA GLU A 86 91.330 -7.173 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.946 -8.730 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.861 -10.079 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.149 -9.979 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.839 -8.369 -0.482 1.00 0.00 H new ATOM 1245 N ALA A 87 89.268 -7.768 -0.291 1.00 0.00 N ATOM 1246 CA ALA A 87 88.211 -8.165 -1.213 1.00 0.00 C ATOM 1247 C ALA A 87 87.654 -6.955 -1.953 1.00 0.00 C ATOM 1248 O ALA A 87 88.177 -5.847 -1.836 1.00 0.00 O ATOM 1249 CB ALA A 87 87.097 -8.870 -0.437 1.00 0.00 C ATOM 0 H ALA A 87 89.405 -6.761 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 87 88.628 -8.849 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.306 -9.167 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.500 -9.754 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.690 -8.191 0.312 1.00 0.00 H new ATOM 1255 N ASP A 88 86.687 -7.216 -2.828 1.00 0.00 N ATOM 1256 CA ASP A 88 86.063 -6.157 -3.613 1.00 0.00 C ATOM 1257 C ASP A 88 84.868 -5.572 -2.869 1.00 0.00 C ATOM 1258 O ASP A 88 84.193 -6.265 -2.108 1.00 0.00 O ATOM 1259 CB ASP A 88 85.621 -6.710 -4.971 1.00 0.00 C ATOM 1260 CG ASP A 88 86.658 -7.695 -5.500 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.629 -8.838 -5.074 1.00 0.00 O ATOM 1262 OD2 ASP A 88 87.463 -7.293 -6.324 1.00 0.00 O ATOM 0 H ASP A 88 86.320 -8.150 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 88 86.792 -5.362 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.655 -7.205 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.490 -5.892 -5.680 1.00 0.00 H new ATOM 1267 N TYR A 89 84.604 -4.292 -3.116 1.00 0.00 N ATOM 1268 CA TYR A 89 83.489 -3.591 -2.486 1.00 0.00 C ATOM 1269 C TYR A 89 82.467 -3.192 -3.546 1.00 0.00 C ATOM 1270 O TYR A 89 82.825 -2.903 -4.687 1.00 0.00 O ATOM 1271 CB TYR A 89 83.995 -2.338 -1.762 1.00 0.00 C ATOM 1272 CG TYR A 89 84.523 -2.700 -0.395 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.774 -3.315 -0.266 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.745 -2.447 0.741 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.291 -3.581 1.007 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.229 -2.793 2.007 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.481 -3.405 2.135 1.00 0.00 C ATOM 1278 OH TYR A 89 85.923 -3.813 3.376 1.00 0.00 O ATOM 0 H TYR A 89 85.152 -3.715 -3.754 1.00 0.00 H new ATOM 0 HA TYR A 89 83.019 -4.255 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.781 -1.863 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.186 -1.613 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.339 -3.583 -1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.774 -1.986 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.310 -3.920 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.636 -2.588 2.886 1.00 0.00 H new ATOM 0 HH TYR A 89 85.238 -3.616 4.048 1.00 0.00 H new ATOM 1288 N TYR A 90 81.202 -3.125 -3.141 1.00 0.00 N ATOM 1289 CA TYR A 90 80.125 -2.710 -4.034 1.00 0.00 C ATOM 1290 C TYR A 90 79.237 -1.689 -3.325 1.00 0.00 C ATOM 1291 O TYR A 90 79.062 -1.759 -2.109 1.00 0.00 O ATOM 1292 CB TYR A 90 79.336 -3.954 -4.468 1.00 0.00 C ATOM 1293 CG TYR A 90 79.196 -4.027 -5.973 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.336 -3.999 -6.786 1.00 0.00 C ATOM 1295 CD2 TYR A 90 77.937 -4.220 -6.553 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.205 -4.014 -8.180 1.00 0.00 C ATOM 1297 CE2 TYR A 90 77.802 -4.221 -7.947 1.00 0.00 C ATOM 1298 CZ TYR A 90 78.938 -4.149 -8.760 1.00 0.00 C ATOM 1299 OH TYR A 90 78.803 -4.153 -10.134 1.00 0.00 O ATOM 0 H TYR A 90 80.897 -3.354 -2.195 1.00 0.00 H new ATOM 0 HA TYR A 90 80.527 -2.231 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.839 -4.850 -4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.347 -3.936 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.318 -3.966 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.070 -4.368 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 90 81.080 -3.922 -8.807 1.00 0.00 H new ATOM 0 HE2 TYR A 90 76.821 -4.277 -8.394 1.00 0.00 H new ATOM 0 HH TYR A 90 77.857 -4.256 -10.369 1.00 0.00 H new ATOM 1309 N CYS A 91 78.605 -0.804 -4.096 1.00 0.00 N ATOM 1310 CA CYS A 91 77.678 0.194 -3.559 1.00 0.00 C ATOM 1311 C CYS A 91 76.301 -0.076 -4.172 1.00 0.00 C ATOM 1312 O CYS A 91 76.204 -0.422 -5.350 1.00 0.00 O ATOM 1313 CB CYS A 91 78.119 1.630 -3.912 1.00 0.00 C ATOM 1314 SG CYS A 91 79.560 2.240 -2.977 1.00 0.00 S ATOM 0 H CYS A 91 78.720 -0.758 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 91 77.657 0.115 -2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.350 1.673 -4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.280 2.305 -3.741 1.00 0.00 H new ATOM 1319 N GLN A 92 75.233 0.083 -3.391 1.00 0.00 N ATOM 1320 CA GLN A 92 73.868 -0.044 -3.901 1.00 0.00 C ATOM 1321 C GLN A 92 73.063 1.213 -3.590 1.00 0.00 C ATOM 1322 O GLN A 92 73.165 1.766 -2.496 1.00 0.00 O ATOM 1323 CB GLN A 92 73.147 -1.245 -3.281 1.00 0.00 C ATOM 1324 CG GLN A 92 73.828 -2.551 -3.697 1.00 0.00 C ATOM 1325 CD GLN A 92 72.869 -3.730 -3.546 1.00 0.00 C ATOM 1326 OE1 GLN A 92 71.667 -3.541 -3.354 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.321 -4.948 -3.676 1.00 0.00 N ATOM 0 H GLN A 92 75.288 0.301 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 92 73.942 -0.187 -4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.149 -1.157 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.104 -1.254 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.164 -2.479 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.715 -2.716 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.316 -5.109 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.679 -5.739 -3.618 1.00 0.00 H new ATOM 1336 N SER A 93 72.147 1.573 -4.484 1.00 0.00 N ATOM 1337 CA SER A 93 71.337 2.774 -4.301 1.00 0.00 C ATOM 1338 C SER A 93 69.935 2.563 -4.858 1.00 0.00 C ATOM 1339 O SER A 93 69.707 1.638 -5.637 1.00 0.00 O ATOM 1340 CB SER A 93 71.997 3.948 -5.026 1.00 0.00 C ATOM 1341 OG SER A 93 71.627 3.913 -6.395 1.00 0.00 O ATOM 0 H SER A 93 71.947 1.053 -5.339 1.00 0.00 H new ATOM 0 HA SER A 93 71.264 2.988 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.686 4.891 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.081 3.890 -4.927 1.00 0.00 H new ATOM 0 HG SER A 93 72.429 3.989 -6.953 1.00 0.00 H new ATOM 1347 N TYR A 94 69.021 3.469 -4.520 1.00 0.00 N ATOM 1348 CA TYR A 94 67.648 3.392 -5.011 1.00 0.00 C ATOM 1349 C TYR A 94 67.249 4.689 -5.708 1.00 0.00 C ATOM 1350 O TYR A 94 67.566 5.785 -5.245 1.00 0.00 O ATOM 1351 CB TYR A 94 66.694 3.101 -3.847 1.00 0.00 C ATOM 1352 CG TYR A 94 66.554 1.611 -3.638 1.00 0.00 C ATOM 1353 CD1 TYR A 94 67.606 0.878 -3.076 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.419 0.945 -4.117 1.00 0.00 C ATOM 1355 CE1 TYR A 94 67.475 -0.503 -2.888 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.291 -0.438 -3.943 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.336 -1.167 -3.362 1.00 0.00 C ATOM 1358 OH TYR A 94 66.214 -2.533 -3.199 1.00 0.00 O ATOM 0 H TYR A 94 69.206 4.264 -3.909 1.00 0.00 H new ATOM 0 HA TYR A 94 67.584 2.581 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.069 3.568 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.717 3.539 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 94 68.519 1.378 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.641 1.499 -4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.251 -1.056 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 94 64.388 -0.942 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 94 65.364 -2.834 -3.584 1.00 0.00 H new ATOM 1368 N ASP A 95 66.510 4.541 -6.803 1.00 0.00 N ATOM 1369 CA ASP A 95 66.037 5.682 -7.578 1.00 0.00 C ATOM 1370 C ASP A 95 64.647 6.108 -7.115 1.00 0.00 C ATOM 1371 O ASP A 95 64.158 5.651 -6.081 1.00 0.00 O ATOM 1372 CB ASP A 95 65.973 5.298 -9.058 1.00 0.00 C ATOM 1373 CG ASP A 95 67.314 4.727 -9.507 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.330 5.309 -9.162 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.306 3.709 -10.178 1.00 0.00 O ATOM 0 H ASP A 95 66.224 3.635 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 95 66.729 6.512 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.184 4.563 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.721 6.172 -9.658 1.00 0.00 H new ATOM 1380 N SER A 96 64.042 7.038 -7.848 1.00 0.00 N ATOM 1381 CA SER A 96 62.721 7.536 -7.485 1.00 0.00 C ATOM 1382 C SER A 96 61.656 6.503 -7.841 1.00 0.00 C ATOM 1383 O SER A 96 60.516 6.596 -7.386 1.00 0.00 O ATOM 1384 CB SER A 96 62.440 8.861 -8.204 1.00 0.00 C ATOM 1385 OG SER A 96 61.490 8.664 -9.240 1.00 0.00 O ATOM 0 H SER A 96 64.441 7.458 -8.688 1.00 0.00 H new ATOM 0 HA SER A 96 62.693 7.711 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.066 9.597 -7.493 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.365 9.261 -8.620 1.00 0.00 H new ATOM 0 HG SER A 96 61.317 9.516 -9.691 1.00 0.00 H new ATOM 1391 N SER A 97 62.023 5.543 -8.687 1.00 0.00 N ATOM 1392 CA SER A 97 61.087 4.508 -9.113 1.00 0.00 C ATOM 1393 C SER A 97 61.069 3.353 -8.115 1.00 0.00 C ATOM 1394 O SER A 97 60.387 2.351 -8.334 1.00 0.00 O ATOM 1395 CB SER A 97 61.477 3.977 -10.495 1.00 0.00 C ATOM 1396 OG SER A 97 62.349 2.866 -10.350 1.00 0.00 O ATOM 0 H SER A 97 62.957 5.461 -9.089 1.00 0.00 H new ATOM 0 HA SER A 97 60.092 4.951 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.585 3.682 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.965 4.762 -11.073 1.00 0.00 H new ATOM 0 HG SER A 97 61.844 2.035 -10.474 1.00 0.00 H new ATOM 1402 N ASN A 98 61.793 3.513 -7.012 1.00 0.00 N ATOM 1403 CA ASN A 98 61.859 2.480 -5.984 1.00 0.00 C ATOM 1404 C ASN A 98 62.559 1.233 -6.513 1.00 0.00 C ATOM 1405 O ASN A 98 62.198 0.112 -6.153 1.00 0.00 O ATOM 1406 CB ASN A 98 60.451 2.105 -5.510 1.00 0.00 C ATOM 1407 CG ASN A 98 60.513 1.389 -4.165 1.00 0.00 C ATOM 1408 OD1 ASN A 98 61.389 1.758 -3.269 1.00 0.00 O flip ATOM 1409 ND2 ASN A 98 59.706 0.496 -3.905 1.00 0.00 N flip ATOM 0 H ASN A 98 62.342 4.348 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 98 62.429 2.880 -5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.839 3.003 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 98 59.971 1.463 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.022 0.208 -4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 98 59.722 0.045 -2.990 1.00 0.00 H new ATOM 1416 N HIS A 99 63.563 1.427 -7.365 1.00 0.00 N ATOM 1417 CA HIS A 99 64.322 0.314 -7.928 1.00 0.00 C ATOM 1418 C HIS A 99 65.759 0.342 -7.416 1.00 0.00 C ATOM 1419 O HIS A 99 66.351 1.409 -7.268 1.00 0.00 O ATOM 1420 CB HIS A 99 64.304 0.409 -9.458 1.00 0.00 C ATOM 1421 CG HIS A 99 63.136 -0.360 -10.014 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.123 0.246 -10.739 1.00 0.00 N ATOM 1423 CD2 HIS A 99 62.755 -1.670 -9.857 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.227 -0.705 -11.054 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.559 -1.890 -10.538 1.00 0.00 N ATOM 0 H HIS A 99 63.870 2.347 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 99 63.864 -0.626 -7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.240 1.453 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.235 0.014 -9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.298 -2.414 -9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.345 -0.531 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 99 61.047 -2.768 -10.624 1.00 0.00 H new ATOM 1433 N VAL A 100 66.335 -0.844 -7.250 1.00 0.00 N ATOM 1434 CA VAL A 100 67.709 -0.963 -6.782 1.00 0.00 C ATOM 1435 C VAL A 100 68.696 -0.645 -7.900 1.00 0.00 C ATOM 1436 O VAL A 100 68.418 -0.882 -9.075 1.00 0.00 O ATOM 1437 CB VAL A 100 67.970 -2.373 -6.239 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.712 -3.436 -7.321 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.408 -2.457 -5.707 1.00 0.00 C ATOM 0 H VAL A 100 65.872 -1.734 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 100 67.854 -0.241 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 100 67.280 -2.574 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.904 -4.427 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.675 -3.375 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.374 -3.260 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.595 -3.459 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.108 -2.243 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.543 -1.729 -4.907 1.00 0.00 H new ATOM 1449 N VAL A 101 69.845 -0.085 -7.533 1.00 0.00 N ATOM 1450 CA VAL A 101 70.888 0.235 -8.502 1.00 0.00 C ATOM 1451 C VAL A 101 72.239 -0.263 -7.997 1.00 0.00 C ATOM 1452 O VAL A 101 72.458 -0.384 -6.791 1.00 0.00 O ATOM 1453 CB VAL A 101 70.912 1.753 -8.723 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.203 2.182 -9.430 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.668 2.203 -9.509 1.00 0.00 C ATOM 0 H VAL A 101 70.077 0.157 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 101 70.680 -0.260 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 101 70.891 2.243 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.196 3.262 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.062 1.903 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.270 1.686 -10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.702 3.282 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.650 1.705 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.770 1.941 -8.950 1.00 0.00 H new ATOM 1465 N PHE A 102 73.133 -0.550 -8.939 1.00 0.00 N ATOM 1466 CA PHE A 102 74.447 -1.105 -8.632 1.00 0.00 C ATOM 1467 C PHE A 102 75.519 -0.060 -8.925 1.00 0.00 C ATOM 1468 O PHE A 102 75.328 0.821 -9.764 1.00 0.00 O ATOM 1469 CB PHE A 102 74.690 -2.350 -9.490 1.00 0.00 C ATOM 1470 CG PHE A 102 74.078 -2.145 -10.855 1.00 0.00 C ATOM 1471 CD1 PHE A 102 74.738 -1.350 -11.800 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.879 -2.783 -11.192 1.00 0.00 C ATOM 1473 CE1 PHE A 102 74.170 -1.153 -13.064 1.00 0.00 C ATOM 1474 CE2 PHE A 102 72.299 -2.569 -12.448 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.949 -1.758 -13.386 1.00 0.00 C ATOM 0 H PHE A 102 72.967 -0.405 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 102 74.490 -1.381 -7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.760 -2.538 -9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.253 -3.226 -9.011 1.00 0.00 H new ATOM 0 HD1 PHE A 102 75.684 -0.890 -11.554 1.00 0.00 H new ATOM 0 HD2 PHE A 102 72.400 -3.441 -10.482 1.00 0.00 H new ATOM 0 HE1 PHE A 102 74.674 -0.534 -13.791 1.00 0.00 H new ATOM 0 HE2 PHE A 102 71.353 -3.028 -12.693 1.00 0.00 H new ATOM 0 HZ PHE A 102 72.508 -1.599 -14.359 1.00 0.00 H new ATOM 1485 N GLY A 103 76.591 -0.090 -8.140 1.00 0.00 N ATOM 1486 CA GLY A 103 77.688 0.853 -8.320 1.00 0.00 C ATOM 1487 C GLY A 103 78.823 0.233 -9.126 1.00 0.00 C ATOM 1488 O GLY A 103 78.766 -0.938 -9.500 1.00 0.00 O ATOM 0 H GLY A 103 76.723 -0.754 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.324 1.746 -8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.061 1.170 -7.346 1.00 0.00 H new ATOM 1492 N GLY A 104 79.798 1.065 -9.478 1.00 0.00 N ATOM 1493 CA GLY A 104 80.919 0.616 -10.295 1.00 0.00 C ATOM 1494 C GLY A 104 81.692 -0.499 -9.597 1.00 0.00 C ATOM 1495 O GLY A 104 82.210 -1.406 -10.248 1.00 0.00 O ATOM 0 H GLY A 104 79.835 2.049 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.553 0.261 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.586 1.455 -10.497 1.00 0.00 H new ATOM 1499 N GLY A 105 81.770 -0.423 -8.271 1.00 0.00 N ATOM 1500 CA GLY A 105 82.531 -1.398 -7.499 1.00 0.00 C ATOM 1501 C GLY A 105 83.959 -0.922 -7.259 1.00 0.00 C ATOM 1502 O GLY A 105 84.415 0.041 -7.876 1.00 0.00 O ATOM 0 H GLY A 105 81.318 0.300 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.038 -1.572 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.547 -2.351 -8.028 1.00 0.00 H new ATOM 1506 N THR A 106 84.671 -1.629 -6.386 1.00 0.00 N ATOM 1507 CA THR A 106 86.046 -1.271 -6.059 1.00 0.00 C ATOM 1508 C THR A 106 86.815 -2.494 -5.573 1.00 0.00 C ATOM 1509 O THR A 106 86.296 -3.290 -4.791 1.00 0.00 O ATOM 1510 CB THR A 106 86.062 -0.189 -4.977 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.344 0.950 -5.428 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.506 0.213 -4.664 1.00 0.00 C ATOM 0 H THR A 106 84.319 -2.450 -5.894 1.00 0.00 H new ATOM 0 HA THR A 106 86.527 -0.888 -6.959 1.00 0.00 H new ATOM 0 HB THR A 106 85.593 -0.582 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.511 1.085 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.510 0.984 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.057 -0.658 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.980 0.600 -5.566 1.00 0.00 H new ATOM 1520 N LYS A 107 88.042 -2.654 -6.061 1.00 0.00 N ATOM 1521 CA LYS A 107 88.891 -3.767 -5.651 1.00 0.00 C ATOM 1522 C LYS A 107 89.830 -3.332 -4.532 1.00 0.00 C ATOM 1523 O LYS A 107 90.904 -2.788 -4.787 1.00 0.00 O ATOM 1524 CB LYS A 107 89.714 -4.273 -6.839 1.00 0.00 C ATOM 1525 CG LYS A 107 90.664 -5.374 -6.363 1.00 0.00 C ATOM 1526 CD LYS A 107 91.294 -6.051 -7.581 1.00 0.00 C ATOM 1527 CE LYS A 107 92.182 -7.212 -7.129 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.331 -8.407 -6.865 1.00 0.00 N ATOM 0 H LYS A 107 88.470 -2.026 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 107 88.251 -4.572 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.054 -4.657 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.281 -3.453 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.440 -4.951 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 107 90.122 -6.106 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.514 -6.417 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.884 -5.329 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.922 -7.440 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 107 92.731 -6.936 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 91.931 -9.199 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 90.642 -8.184 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 90.826 -8.673 -7.735 1.00 0.00 H new ATOM 1542 N LEU A 108 89.449 -3.631 -3.294 1.00 0.00 N ATOM 1543 CA LEU A 108 90.319 -3.365 -2.157 1.00 0.00 C ATOM 1544 C LEU A 108 91.237 -4.552 -1.893 1.00 0.00 C ATOM 1545 O LEU A 108 90.766 -5.657 -1.624 1.00 0.00 O ATOM 1546 CB LEU A 108 89.463 -3.088 -0.917 1.00 0.00 C ATOM 1547 CG LEU A 108 90.339 -2.580 0.232 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.730 -1.119 0.004 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.567 -2.700 1.547 1.00 0.00 C ATOM 0 H LEU A 108 88.552 -4.054 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 108 90.936 -2.495 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.697 -2.349 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.945 -3.998 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 108 91.246 -3.182 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.352 -0.776 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.286 -1.033 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.830 -0.506 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.187 -2.339 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.657 -2.103 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.306 -3.744 1.722 1.00 0.00 H new ATOM 1561 N THR A 109 92.528 -4.261 -1.760 1.00 0.00 N ATOM 1562 CA THR A 109 93.514 -5.282 -1.423 1.00 0.00 C ATOM 1563 C THR A 109 94.295 -4.892 -0.172 1.00 0.00 C ATOM 1564 O THR A 109 94.571 -3.714 0.058 1.00 0.00 O ATOM 1565 CB THR A 109 94.489 -5.467 -2.587 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.772 -5.850 -3.752 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.513 -6.544 -2.223 1.00 0.00 C ATOM 0 H THR A 109 92.916 -3.325 -1.881 1.00 0.00 H new ATOM 0 HA THR A 109 92.985 -6.215 -1.231 1.00 0.00 H new ATOM 0 HB THR A 109 95.009 -4.529 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.397 -5.967 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.210 -6.678 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.062 -6.238 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 109 94.998 -7.484 -2.026 1.00 0.00 H new ATOM 1575 N VAL A 110 94.632 -5.889 0.642 1.00 0.00 N ATOM 1576 CA VAL A 110 95.392 -5.671 1.870 1.00 0.00 C ATOM 1577 C VAL A 110 96.752 -6.353 1.764 1.00 0.00 C ATOM 1578 O VAL A 110 96.850 -7.525 1.401 1.00 0.00 O ATOM 1579 CB VAL A 110 94.615 -6.215 3.076 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.368 -5.956 4.390 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.222 -5.573 3.120 1.00 0.00 C ATOM 0 H VAL A 110 94.388 -6.865 0.471 1.00 0.00 H new ATOM 0 HA VAL A 110 95.544 -4.601 2.010 1.00 0.00 H new ATOM 0 HB VAL A 110 94.513 -7.294 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.791 -6.354 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.340 -6.447 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.508 -4.883 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.670 -5.960 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.323 -4.491 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.682 -5.811 2.203 1.00 0.00 H new ATOM 1591 N LEU A 111 97.799 -5.607 2.107 1.00 0.00 N ATOM 1592 CA LEU A 111 99.165 -6.120 2.059 1.00 0.00 C ATOM 1593 C LEU A 111 99.610 -6.586 3.441 1.00 0.00 C ATOM 1594 O LEU A 111 100.792 -6.801 3.623 1.00 0.00 O ATOM 1595 CB LEU A 111 100.111 -5.018 1.577 1.00 0.00 C ATOM 1596 CG LEU A 111 99.662 -4.487 0.211 1.00 0.00 C ATOM 1597 CD1 LEU A 111 100.310 -3.124 -0.040 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.096 -5.446 -0.901 1.00 0.00 C ATOM 1599 OXT LEU A 111 98.740 -6.807 4.274 1.00 0.00 O ATOM 0 H LEU A 111 97.726 -4.640 2.423 1.00 0.00 H new ATOM 0 HA LEU A 111 99.193 -6.965 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.131 -4.204 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.127 -5.407 1.507 1.00 0.00 H new ATOM 0 HG LEU A 111 98.576 -4.398 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.993 -2.744 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 111 100.005 -2.427 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 111 101.395 -3.229 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.770 -5.056 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.182 -5.541 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.645 -6.424 -0.734 1.00 0.00 H new TER 1611 LEU A 111