USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 786 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 100 MET CE :methyl -134:sc= -2.19 (180deg=-6.66!) USER MOD Set 1.2: A 105 ASN : amide:sc= -2.6 K(o=-4.8,f=-9.3!) USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= -3.56! F(o=-6.6,f=-4.5!) USER MOD Set 2.2: A 86 GLN : amide:sc= -0.92 K(o=-4.5,f=-6.7) USER MOD Set 3.1: A 85 MET CE :methyl -177:sc= -0.131 (180deg=-0.161) USER MOD Set 3.2: A 97 ASN :FLIP amide:sc= -0.492 F(o=-3.4,f=-0.62) USER MOD Set 4.1: A 73 TYR OH : rot -82:sc= 1.22 USER MOD Set 4.2: A 77 GLN : amide:sc= 0.941 K(o=2.2,f=-1.7) USER MOD Set 5.1: A 54 HIS : no HD1:sc= -4.03 K(o=-4.3,f=-5.3!) USER MOD Set 5.2: A 58 SER OG : rot -140:sc= -0.0939 USER MOD Set 5.3: A 69 TYR OH : rot 180:sc= -0.207 USER MOD Set 6.1: A 33 SER OG : rot 180:sc= 0.0184 USER MOD Set 6.2: A 90 MET CE :methyl -129:sc= -0.48 (180deg=-3.52!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.1! C(o=-2.1!,f=-9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.07 F(o=-4.2!,f=-2.1) USER MOD Single : A 42 GLN : amide:sc= -1.51! C(o=-1.5!,f=-5.9!) USER MOD Single : A 46 SER OG : rot 130:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.4! C(o=-4.4!,f=-11!) USER MOD Single : A 70 ASN : amide:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 76 THR OG1 : rot 66:sc= 0.3 USER MOD Single : A 79 THR OG1 : rot -89:sc= -0.0817 USER MOD Single : A 82 MET CE :methyl -153:sc= -0.896 (180deg=-1.49) USER MOD Single : A 87 HIS : no HE2:sc= -4.06 X(o=-4.1,f=-3.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 150:sc= 0.252 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 103 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.2!) USER MOD Single : A 109 MET CE :methyl -163:sc= -11.1! (180deg=-11.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -165:sc= -0.169 (180deg=-0.634) USER MOD Single : A 124 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.0922 X(o=-0.092,f=-0.085) USER MOD Single : A 127 MET CE :methyl -166:sc= -1.38 (180deg=-1.97) USER MOD Single : A 130 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -13.052 19.223 -8.013 1.00 0.00 N ATOM 2 CA ASP A 29 -12.948 19.339 -6.533 1.00 0.00 C ATOM 3 C ASP A 29 -12.276 18.111 -5.928 1.00 0.00 C ATOM 4 O ASP A 29 -11.115 18.164 -5.522 1.00 0.00 O ATOM 5 CB ASP A 29 -14.353 19.518 -5.943 1.00 0.00 C ATOM 6 CG ASP A 29 -15.438 18.871 -6.785 1.00 0.00 C ATOM 7 OD1 ASP A 29 -15.678 19.348 -7.914 1.00 0.00 O ATOM 8 OD2 ASP A 29 -16.047 17.887 -6.314 1.00 0.00 O ATOM 0 HA ASP A 29 -12.332 20.205 -6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.377 19.092 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.566 20.582 -5.842 1.00 0.00 H new ATOM 13 N ASN A 30 -13.014 17.007 -5.868 1.00 0.00 N ATOM 14 CA ASN A 30 -12.488 15.767 -5.309 1.00 0.00 C ATOM 15 C ASN A 30 -12.993 14.559 -6.093 1.00 0.00 C ATOM 16 O ASN A 30 -14.178 14.469 -6.416 1.00 0.00 O ATOM 17 CB ASN A 30 -12.890 15.635 -3.837 1.00 0.00 C ATOM 18 CG ASN A 30 -12.740 16.939 -3.074 1.00 0.00 C ATOM 19 OD1 ASN A 30 -11.667 17.052 -2.300 1.00 0.00 O flip ATOM 20 ND2 ASN A 30 -13.578 17.833 -3.181 1.00 0.00 N flip ATOM 0 H ASN A 30 -13.977 16.946 -6.199 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.401 15.798 -5.382 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.925 15.299 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.277 14.868 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.388 17.703 -3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.463 18.704 -2.663 1.00 0.00 H new ATOM 27 N VAL A 31 -12.086 13.633 -6.398 1.00 0.00 N ATOM 28 CA VAL A 31 -12.441 12.425 -7.148 1.00 0.00 C ATOM 29 C VAL A 31 -13.706 11.777 -6.589 1.00 0.00 C ATOM 30 O VAL A 31 -14.194 12.158 -5.525 1.00 0.00 O ATOM 31 CB VAL A 31 -11.304 11.373 -7.148 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.483 11.471 -8.423 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.409 11.517 -5.922 1.00 0.00 C ATOM 0 H VAL A 31 -11.101 13.694 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.614 12.751 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.767 10.387 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.690 10.724 -8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.127 11.294 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.043 12.465 -8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.623 10.763 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.960 12.510 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.004 11.381 -5.019 1.00 0.00 H new ATOM 43 N THR A 32 -14.230 10.793 -7.315 1.00 0.00 N ATOM 44 CA THR A 32 -15.432 10.089 -6.899 1.00 0.00 C ATOM 45 C THR A 32 -15.241 9.463 -5.519 1.00 0.00 C ATOM 46 O THR A 32 -14.277 8.734 -5.286 1.00 0.00 O ATOM 47 CB THR A 32 -15.781 9.016 -7.935 1.00 0.00 C ATOM 48 OG1 THR A 32 -16.344 9.606 -9.093 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.759 7.981 -7.431 1.00 0.00 C ATOM 0 H THR A 32 -13.836 10.467 -8.198 1.00 0.00 H new ATOM 0 HA THR A 32 -16.255 10.801 -6.832 1.00 0.00 H new ATOM 0 HB THR A 32 -14.838 8.517 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.559 8.907 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.958 7.255 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.335 7.471 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.690 8.470 -7.144 1.00 0.00 H new ATOM 57 N SER A 33 -16.165 9.756 -4.607 1.00 0.00 N ATOM 58 CA SER A 33 -16.103 9.227 -3.246 1.00 0.00 C ATOM 59 C SER A 33 -15.826 7.725 -3.247 1.00 0.00 C ATOM 60 O SER A 33 -15.129 7.212 -2.371 1.00 0.00 O ATOM 61 CB SER A 33 -17.411 9.512 -2.508 1.00 0.00 C ATOM 62 OG SER A 33 -18.520 9.438 -3.388 1.00 0.00 O ATOM 0 H SER A 33 -16.968 10.359 -4.786 1.00 0.00 H new ATOM 0 HA SER A 33 -15.282 9.726 -2.731 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.538 8.795 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.368 10.502 -2.055 1.00 0.00 H new ATOM 0 HG SER A 33 -19.345 9.622 -2.891 1.00 0.00 H new ATOM 68 N SER A 34 -16.371 7.028 -4.237 1.00 0.00 N ATOM 69 CA SER A 34 -16.177 5.588 -4.352 1.00 0.00 C ATOM 70 C SER A 34 -14.740 5.275 -4.747 1.00 0.00 C ATOM 71 O SER A 34 -14.182 4.256 -4.342 1.00 0.00 O ATOM 72 CB SER A 34 -17.143 5.001 -5.383 1.00 0.00 C ATOM 73 OG SER A 34 -18.359 4.601 -4.774 1.00 0.00 O ATOM 0 H SER A 34 -16.950 7.436 -4.971 1.00 0.00 H new ATOM 0 HA SER A 34 -16.380 5.135 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.347 5.741 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.680 4.145 -5.874 1.00 0.00 H new ATOM 0 HG SER A 34 -18.959 4.231 -5.454 1.00 0.00 H new ATOM 79 N GLN A 35 -14.147 6.163 -5.535 1.00 0.00 N ATOM 80 CA GLN A 35 -12.772 5.992 -5.984 1.00 0.00 C ATOM 81 C GLN A 35 -11.812 6.071 -4.806 1.00 0.00 C ATOM 82 O GLN A 35 -10.886 5.269 -4.691 1.00 0.00 O ATOM 83 CB GLN A 35 -12.424 7.058 -7.018 1.00 0.00 C ATOM 84 CG GLN A 35 -11.484 6.570 -8.108 1.00 0.00 C ATOM 85 CD GLN A 35 -10.226 5.931 -7.553 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.217 4.750 -7.207 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.155 6.711 -7.465 1.00 0.00 N ATOM 0 H GLN A 35 -14.599 7.011 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.676 5.008 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.344 7.418 -7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.967 7.908 -6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.006 5.848 -8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.209 7.409 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.207 7.685 -7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.280 6.336 -7.099 1.00 0.00 H new ATOM 96 N LEU A 36 -12.047 7.039 -3.923 1.00 0.00 N ATOM 97 CA LEU A 36 -11.208 7.213 -2.745 1.00 0.00 C ATOM 98 C LEU A 36 -11.107 5.903 -1.977 1.00 0.00 C ATOM 99 O LEU A 36 -10.014 5.444 -1.646 1.00 0.00 O ATOM 100 CB LEU A 36 -11.782 8.301 -1.834 1.00 0.00 C ATOM 101 CG LEU A 36 -11.460 9.736 -2.252 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.964 9.996 -2.166 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.975 10.008 -3.656 1.00 0.00 C ATOM 0 H LEU A 36 -12.810 7.712 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.213 7.516 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.865 8.185 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.407 8.141 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.962 10.417 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.755 11.022 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.626 9.843 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.437 9.309 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.738 11.034 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.502 9.320 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.055 9.865 -3.681 1.00 0.00 H new ATOM 115 N LEU A 37 -12.260 5.305 -1.704 1.00 0.00 N ATOM 116 CA LEU A 37 -12.308 4.045 -0.982 1.00 0.00 C ATOM 117 C LEU A 37 -12.038 2.863 -1.914 1.00 0.00 C ATOM 118 O LEU A 37 -11.722 1.765 -1.457 1.00 0.00 O ATOM 119 CB LEU A 37 -13.662 3.876 -0.286 1.00 0.00 C ATOM 120 CG LEU A 37 -14.825 3.481 -1.201 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.137 2.000 -1.054 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.057 4.320 -0.893 1.00 0.00 C ATOM 0 H LEU A 37 -13.172 5.674 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.524 4.064 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.560 3.119 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.915 4.812 0.212 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.531 3.671 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.966 1.736 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.258 1.414 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.411 1.787 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.873 4.025 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.354 4.163 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.828 5.374 -1.049 1.00 0.00 H new ATOM 134 N SER A 38 -12.163 3.083 -3.222 1.00 0.00 N ATOM 135 CA SER A 38 -11.929 2.015 -4.188 1.00 0.00 C ATOM 136 C SER A 38 -10.459 1.612 -4.218 1.00 0.00 C ATOM 137 O SER A 38 -10.129 0.451 -4.467 1.00 0.00 O ATOM 138 CB SER A 38 -12.370 2.452 -5.584 1.00 0.00 C ATOM 139 OG SER A 38 -12.054 1.466 -6.551 1.00 0.00 O ATOM 0 H SER A 38 -12.422 3.980 -3.632 1.00 0.00 H new ATOM 0 HA SER A 38 -12.519 1.152 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.444 2.638 -5.588 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.883 3.391 -5.845 1.00 0.00 H new ATOM 0 HG SER A 38 -12.348 1.769 -7.435 1.00 0.00 H new ATOM 145 N VAL A 39 -9.577 2.573 -3.967 1.00 0.00 N ATOM 146 CA VAL A 39 -8.147 2.307 -3.975 1.00 0.00 C ATOM 147 C VAL A 39 -7.661 1.852 -2.607 1.00 0.00 C ATOM 148 O VAL A 39 -6.795 0.986 -2.507 1.00 0.00 O ATOM 149 CB VAL A 39 -7.345 3.542 -4.416 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.482 3.752 -5.916 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.793 4.777 -3.650 1.00 0.00 C ATOM 0 H VAL A 39 -9.828 3.539 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.982 1.506 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.293 3.372 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.909 4.630 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.103 2.876 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.532 3.901 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.212 5.639 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.851 4.959 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.637 4.620 -2.583 1.00 0.00 H new ATOM 161 N ARG A 40 -8.224 2.428 -1.551 1.00 0.00 N ATOM 162 CA ARG A 40 -7.835 2.053 -0.200 1.00 0.00 C ATOM 163 C ARG A 40 -8.182 0.593 0.067 1.00 0.00 C ATOM 164 O ARG A 40 -7.567 -0.060 0.910 1.00 0.00 O ATOM 165 CB ARG A 40 -8.504 2.965 0.831 1.00 0.00 C ATOM 166 CG ARG A 40 -9.999 2.727 0.999 1.00 0.00 C ATOM 167 CD ARG A 40 -10.309 1.554 1.922 1.00 0.00 C ATOM 168 NE ARG A 40 -9.360 1.444 3.029 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.032 0.296 3.620 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.577 -0.848 3.221 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.159 0.292 4.618 1.00 0.00 N ATOM 0 H ARG A 40 -8.944 3.149 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.756 2.174 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.015 2.825 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.343 4.003 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.464 3.629 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.445 2.543 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.317 1.667 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.297 0.629 1.345 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.922 2.300 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.252 -0.852 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.320 -1.722 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.740 1.167 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.907 -0.586 5.072 1.00 0.00 H new ATOM 185 N HIS A 41 -9.168 0.084 -0.668 1.00 0.00 N ATOM 186 CA HIS A 41 -9.590 -1.303 -0.522 1.00 0.00 C ATOM 187 C HIS A 41 -8.703 -2.221 -1.358 1.00 0.00 C ATOM 188 O HIS A 41 -8.396 -3.342 -0.954 1.00 0.00 O ATOM 189 CB HIS A 41 -11.052 -1.463 -0.946 1.00 0.00 C ATOM 190 CG HIS A 41 -12.033 -1.106 0.127 1.00 0.00 C ATOM 191 ND1 HIS A 41 -13.011 -0.170 0.157 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.080 -1.744 1.349 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.624 -0.260 1.381 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.046 -1.216 2.081 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.688 0.612 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.494 -1.582 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.238 -0.837 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.221 -2.495 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.430 -2.549 1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.447 0.353 1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.301 -1.500 3.027 1.00 0.00 H new ATOM 203 N GLN A 42 -8.296 -1.733 -2.527 1.00 0.00 N ATOM 204 CA GLN A 42 -7.443 -2.506 -3.424 1.00 0.00 C ATOM 205 C GLN A 42 -5.974 -2.399 -3.012 1.00 0.00 C ATOM 206 O GLN A 42 -5.189 -3.322 -3.226 1.00 0.00 O ATOM 207 CB GLN A 42 -7.628 -2.027 -4.872 1.00 0.00 C ATOM 208 CG GLN A 42 -6.759 -0.835 -5.251 1.00 0.00 C ATOM 209 CD GLN A 42 -5.375 -1.247 -5.713 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.375 -0.944 -5.062 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.310 -1.942 -6.843 1.00 0.00 N ATOM 0 H GLN A 42 -8.543 -0.806 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.737 -3.554 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.406 -2.853 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.674 -1.763 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.249 -0.270 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.668 -0.169 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.165 -2.171 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.406 -2.246 -7.203 1.00 0.00 H new ATOM 220 N LEU A 43 -5.613 -1.262 -2.426 1.00 0.00 N ATOM 221 CA LEU A 43 -4.243 -1.022 -1.989 1.00 0.00 C ATOM 222 C LEU A 43 -3.956 -1.737 -0.671 1.00 0.00 C ATOM 223 O LEU A 43 -3.050 -2.566 -0.588 1.00 0.00 O ATOM 224 CB LEU A 43 -4.000 0.487 -1.836 1.00 0.00 C ATOM 225 CG LEU A 43 -2.546 0.964 -1.978 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.891 1.085 -0.614 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.739 0.035 -2.877 1.00 0.00 C ATOM 0 H LEU A 43 -6.253 -0.490 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.566 -1.420 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.604 1.007 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.366 0.794 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.563 1.948 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.862 1.424 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.442 1.804 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.898 0.114 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.716 0.403 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.733 -0.968 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.191 0.005 -3.869 1.00 0.00 H new ATOM 239 N ALA A 44 -4.734 -1.408 0.356 1.00 0.00 N ATOM 240 CA ALA A 44 -4.566 -2.016 1.673 1.00 0.00 C ATOM 241 C ALA A 44 -4.590 -3.539 1.589 1.00 0.00 C ATOM 242 O ALA A 44 -3.787 -4.218 2.228 1.00 0.00 O ATOM 243 CB ALA A 44 -5.649 -1.523 2.620 1.00 0.00 C ATOM 0 H ALA A 44 -5.488 -0.723 0.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.591 -1.718 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.513 -1.983 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.583 -0.439 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.628 -1.793 2.225 1.00 0.00 H new ATOM 249 N GLU A 45 -5.519 -4.069 0.800 1.00 0.00 N ATOM 250 CA GLU A 45 -5.650 -5.513 0.635 1.00 0.00 C ATOM 251 C GLU A 45 -4.347 -6.126 0.131 1.00 0.00 C ATOM 252 O GLU A 45 -3.877 -7.132 0.662 1.00 0.00 O ATOM 253 CB GLU A 45 -6.786 -5.834 -0.336 1.00 0.00 C ATOM 254 CG GLU A 45 -8.140 -5.980 0.339 1.00 0.00 C ATOM 255 CD GLU A 45 -9.145 -6.715 -0.526 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.479 -6.203 -1.615 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.598 -7.804 -0.115 1.00 0.00 O ATOM 0 H GLU A 45 -6.192 -3.521 0.265 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.879 -5.945 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.846 -5.045 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.551 -6.758 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.017 -6.515 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.529 -4.991 0.582 1.00 0.00 H new ATOM 264 N SER A 46 -3.770 -5.513 -0.897 1.00 0.00 N ATOM 265 CA SER A 46 -2.522 -5.999 -1.475 1.00 0.00 C ATOM 266 C SER A 46 -1.336 -5.673 -0.571 1.00 0.00 C ATOM 267 O SER A 46 -0.315 -6.360 -0.600 1.00 0.00 O ATOM 268 CB SER A 46 -2.305 -5.387 -2.860 1.00 0.00 C ATOM 269 OG SER A 46 -2.936 -6.162 -3.865 1.00 0.00 O ATOM 0 H SER A 46 -4.146 -4.679 -1.347 1.00 0.00 H new ATOM 0 HA SER A 46 -2.594 -7.082 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.700 -4.371 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.237 -5.317 -3.067 1.00 0.00 H new ATOM 0 HG SER A 46 -3.481 -5.579 -4.433 1.00 0.00 H new ATOM 275 N ALA A 47 -1.477 -4.622 0.231 1.00 0.00 N ATOM 276 CA ALA A 47 -0.414 -4.209 1.140 1.00 0.00 C ATOM 277 C ALA A 47 -0.224 -5.227 2.260 1.00 0.00 C ATOM 278 O ALA A 47 -0.605 -4.984 3.406 1.00 0.00 O ATOM 279 CB ALA A 47 -0.717 -2.833 1.718 1.00 0.00 C ATOM 0 H ALA A 47 -2.315 -4.042 0.270 1.00 0.00 H new ATOM 0 HA ALA A 47 0.515 -4.155 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.085 -2.538 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.794 -2.107 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.659 -2.868 2.265 1.00 0.00 H new ATOM 285 N GLY A 48 0.368 -6.368 1.922 1.00 0.00 N ATOM 286 CA GLY A 48 0.598 -7.407 2.910 1.00 0.00 C ATOM 287 C GLY A 48 0.892 -8.755 2.280 1.00 0.00 C ATOM 288 O GLY A 48 0.060 -9.303 1.556 1.00 0.00 O ATOM 0 H GLY A 48 0.693 -6.592 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.433 -7.118 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.279 -7.493 3.552 1.00 0.00 H new ATOM 292 N LEU A 49 2.078 -9.291 2.555 1.00 0.00 N ATOM 293 CA LEU A 49 2.476 -10.584 2.010 1.00 0.00 C ATOM 294 C LEU A 49 1.598 -11.702 2.568 1.00 0.00 C ATOM 295 O LEU A 49 1.115 -11.617 3.697 1.00 0.00 O ATOM 296 CB LEU A 49 3.949 -10.866 2.326 1.00 0.00 C ATOM 297 CG LEU A 49 4.955 -9.920 1.662 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.369 -10.464 1.799 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.608 -9.707 0.195 1.00 0.00 C ATOM 0 H LEU A 49 2.779 -8.850 3.151 1.00 0.00 H new ATOM 0 HA LEU A 49 2.346 -10.550 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.087 -10.817 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.180 -11.887 2.021 1.00 0.00 H new ATOM 0 HG LEU A 49 4.903 -8.957 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.070 -9.779 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.620 -10.563 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.431 -11.440 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.335 -9.032 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.628 -10.664 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.612 -9.272 0.116 1.00 0.00 H new ATOM 311 N PRO A 50 1.377 -12.769 1.779 1.00 0.00 N ATOM 312 CA PRO A 50 0.548 -13.904 2.200 1.00 0.00 C ATOM 313 C PRO A 50 1.105 -14.606 3.440 1.00 0.00 C ATOM 314 O PRO A 50 0.657 -14.350 4.557 1.00 0.00 O ATOM 315 CB PRO A 50 0.565 -14.843 0.986 1.00 0.00 C ATOM 316 CG PRO A 50 1.749 -14.424 0.182 1.00 0.00 C ATOM 317 CD PRO A 50 1.911 -12.950 0.419 1.00 0.00 C ATOM 0 HA PRO A 50 -0.455 -13.587 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.648 -15.885 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.355 -14.755 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.642 -14.969 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.596 -14.634 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.955 -12.643 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.358 -12.361 -0.313 1.00 0.00 H new ATOM 325 N ARG A 51 2.079 -15.491 3.241 1.00 0.00 N ATOM 326 CA ARG A 51 2.683 -16.221 4.350 1.00 0.00 C ATOM 327 C ARG A 51 4.153 -16.521 4.071 1.00 0.00 C ATOM 328 O ARG A 51 5.042 -15.973 4.722 1.00 0.00 O ATOM 329 CB ARG A 51 1.922 -17.524 4.606 1.00 0.00 C ATOM 330 CG ARG A 51 2.033 -18.023 6.038 1.00 0.00 C ATOM 331 CD ARG A 51 2.978 -19.210 6.144 1.00 0.00 C ATOM 332 NE ARG A 51 3.532 -19.350 7.489 1.00 0.00 N ATOM 333 CZ ARG A 51 2.824 -19.745 8.545 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.535 -20.037 8.417 1.00 0.00 N ATOM 335 NH2 ARG A 51 3.405 -19.847 9.732 1.00 0.00 N ATOM 0 H ARG A 51 2.465 -15.719 2.325 1.00 0.00 H new ATOM 0 HA ARG A 51 2.623 -15.594 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.870 -17.374 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.299 -18.293 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.388 -17.216 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.046 -18.309 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.446 -20.122 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.791 -19.091 5.428 1.00 0.00 H new ATOM 0 HE ARG A 51 4.519 -19.132 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.082 -19.959 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.997 -20.339 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.395 -19.623 9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.863 -20.150 10.541 1.00 0.00 H new ATOM 349 N ASP A 52 4.402 -17.395 3.100 1.00 0.00 N ATOM 350 CA ASP A 52 5.765 -17.765 2.737 1.00 0.00 C ATOM 351 C ASP A 52 6.548 -16.545 2.266 1.00 0.00 C ATOM 352 O ASP A 52 7.759 -16.455 2.470 1.00 0.00 O ATOM 353 CB ASP A 52 5.751 -18.834 1.641 1.00 0.00 C ATOM 354 CG ASP A 52 6.145 -20.202 2.163 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.504 -20.678 3.123 1.00 0.00 O ATOM 356 OD2 ASP A 52 7.095 -20.796 1.612 1.00 0.00 O ATOM 0 H ASP A 52 3.678 -17.859 2.551 1.00 0.00 H new ATOM 0 HA ASP A 52 6.255 -18.171 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.754 -18.888 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.434 -18.542 0.843 1.00 0.00 H new ATOM 361 N GLN A 53 5.848 -15.608 1.638 1.00 0.00 N ATOM 362 CA GLN A 53 6.474 -14.391 1.138 1.00 0.00 C ATOM 363 C GLN A 53 7.055 -13.569 2.285 1.00 0.00 C ATOM 364 O GLN A 53 8.108 -12.947 2.144 1.00 0.00 O ATOM 365 CB GLN A 53 5.456 -13.558 0.354 1.00 0.00 C ATOM 366 CG GLN A 53 5.702 -13.554 -1.147 1.00 0.00 C ATOM 367 CD GLN A 53 4.643 -14.323 -1.914 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.649 -15.553 -1.941 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.725 -13.598 -2.543 1.00 0.00 N ATOM 0 H GLN A 53 4.845 -15.668 1.463 1.00 0.00 H new ATOM 0 HA GLN A 53 7.289 -14.674 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.455 -13.944 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.479 -12.532 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.728 -12.525 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.681 -13.988 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.758 -12.580 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.987 -14.060 -3.075 1.00 0.00 H new ATOM 378 N HIS A 54 6.364 -13.572 3.421 1.00 0.00 N ATOM 379 CA HIS A 54 6.814 -12.826 4.591 1.00 0.00 C ATOM 380 C HIS A 54 7.828 -13.633 5.397 1.00 0.00 C ATOM 381 O HIS A 54 8.802 -13.086 5.913 1.00 0.00 O ATOM 382 CB HIS A 54 5.622 -12.455 5.477 1.00 0.00 C ATOM 383 CG HIS A 54 6.008 -11.703 6.714 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.784 -12.249 7.714 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.727 -10.437 7.107 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.964 -11.354 8.669 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.333 -10.247 8.325 1.00 0.00 N ATOM 0 H HIS A 54 5.491 -14.082 3.556 1.00 0.00 H new ATOM 0 HA HIS A 54 7.297 -11.913 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.923 -11.852 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.096 -13.365 5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.137 -9.713 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.531 -11.503 9.576 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.301 -9.389 8.875 1.00 0.00 H new ATOM 396 N GLU A 55 7.589 -14.936 5.505 1.00 0.00 N ATOM 397 CA GLU A 55 8.478 -15.820 6.253 1.00 0.00 C ATOM 398 C GLU A 55 9.920 -15.709 5.760 1.00 0.00 C ATOM 399 O GLU A 55 10.858 -16.036 6.486 1.00 0.00 O ATOM 400 CB GLU A 55 8.000 -17.269 6.138 1.00 0.00 C ATOM 401 CG GLU A 55 7.057 -17.689 7.253 1.00 0.00 C ATOM 402 CD GLU A 55 7.098 -19.180 7.520 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.167 -19.791 7.312 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.060 -19.738 7.935 1.00 0.00 O ATOM 0 H GLU A 55 6.787 -15.404 5.084 1.00 0.00 H new ATOM 0 HA GLU A 55 8.452 -15.511 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.498 -17.402 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.867 -17.930 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.318 -17.153 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.039 -17.398 6.992 1.00 0.00 H new ATOM 411 N PHE A 56 10.091 -15.253 4.524 1.00 0.00 N ATOM 412 CA PHE A 56 11.420 -15.109 3.942 1.00 0.00 C ATOM 413 C PHE A 56 11.960 -13.693 4.140 1.00 0.00 C ATOM 414 O PHE A 56 13.058 -13.506 4.659 1.00 0.00 O ATOM 415 CB PHE A 56 11.377 -15.466 2.447 1.00 0.00 C ATOM 416 CG PHE A 56 12.347 -14.692 1.593 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.714 -14.863 1.740 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.887 -13.793 0.643 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.604 -14.153 0.957 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.773 -13.080 -0.143 1.00 0.00 C ATOM 421 CZ PHE A 56 14.133 -13.261 0.014 1.00 0.00 C ATOM 0 H PHE A 56 9.327 -14.977 3.907 1.00 0.00 H new ATOM 0 HA PHE A 56 12.095 -15.795 4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.582 -16.531 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.367 -15.295 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.088 -15.560 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.824 -13.648 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.667 -14.296 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.402 -12.382 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.827 -12.706 -0.600 1.00 0.00 H new ATOM 431 N VAL A 57 11.188 -12.704 3.707 1.00 0.00 N ATOM 432 CA VAL A 57 11.595 -11.306 3.815 1.00 0.00 C ATOM 433 C VAL A 57 11.715 -10.835 5.266 1.00 0.00 C ATOM 434 O VAL A 57 12.211 -9.738 5.522 1.00 0.00 O ATOM 435 CB VAL A 57 10.609 -10.383 3.070 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.219 -10.469 3.684 1.00 0.00 C ATOM 437 CG2 VAL A 57 11.114 -8.947 3.071 1.00 0.00 C ATOM 0 H VAL A 57 10.274 -12.843 3.276 1.00 0.00 H new ATOM 0 HA VAL A 57 12.581 -11.246 3.355 1.00 0.00 H new ATOM 0 HB VAL A 57 10.542 -10.719 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.541 -9.810 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.856 -11.495 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.264 -10.164 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.405 -8.312 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.216 -8.598 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.083 -8.902 2.574 1.00 0.00 H new ATOM 447 N SER A 58 11.254 -11.646 6.215 1.00 0.00 N ATOM 448 CA SER A 58 11.317 -11.265 7.624 1.00 0.00 C ATOM 449 C SER A 58 12.103 -12.273 8.461 1.00 0.00 C ATOM 450 O SER A 58 12.690 -11.913 9.481 1.00 0.00 O ATOM 451 CB SER A 58 9.905 -11.112 8.191 1.00 0.00 C ATOM 452 OG SER A 58 9.425 -9.791 8.017 1.00 0.00 O ATOM 0 H SER A 58 10.838 -12.560 6.038 1.00 0.00 H new ATOM 0 HA SER A 58 11.842 -10.311 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.233 -11.814 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.906 -11.365 9.251 1.00 0.00 H new ATOM 0 HG SER A 58 8.933 -9.514 8.818 1.00 0.00 H new ATOM 458 N SER A 59 12.099 -13.535 8.044 1.00 0.00 N ATOM 459 CA SER A 59 12.803 -14.579 8.785 1.00 0.00 C ATOM 460 C SER A 59 14.084 -15.027 8.081 1.00 0.00 C ATOM 461 O SER A 59 14.879 -15.772 8.654 1.00 0.00 O ATOM 462 CB SER A 59 11.884 -15.782 8.999 1.00 0.00 C ATOM 463 OG SER A 59 12.047 -16.325 10.298 1.00 0.00 O ATOM 0 H SER A 59 11.620 -13.859 7.204 1.00 0.00 H new ATOM 0 HA SER A 59 13.088 -14.154 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.846 -15.481 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.101 -16.546 8.252 1.00 0.00 H new ATOM 0 HG SER A 59 11.447 -17.092 10.410 1.00 0.00 H new ATOM 469 N GLN A 60 14.284 -14.587 6.842 1.00 0.00 N ATOM 470 CA GLN A 60 15.474 -14.973 6.089 1.00 0.00 C ATOM 471 C GLN A 60 16.215 -13.755 5.540 1.00 0.00 C ATOM 472 O GLN A 60 17.372 -13.515 5.885 1.00 0.00 O ATOM 473 CB GLN A 60 15.089 -15.906 4.941 1.00 0.00 C ATOM 474 CG GLN A 60 14.724 -17.310 5.394 1.00 0.00 C ATOM 475 CD GLN A 60 15.858 -18.298 5.203 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.808 -19.155 4.321 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.888 -18.184 6.033 1.00 0.00 N ATOM 0 H GLN A 60 13.645 -13.969 6.342 1.00 0.00 H new ATOM 0 HA GLN A 60 16.144 -15.493 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.245 -15.476 4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.920 -15.965 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.441 -17.286 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.852 -17.652 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.887 -17.458 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.680 -18.822 5.954 1.00 0.00 H new ATOM 486 N ALA A 61 15.543 -13.000 4.675 1.00 0.00 N ATOM 487 CA ALA A 61 16.128 -11.810 4.059 1.00 0.00 C ATOM 488 C ALA A 61 16.934 -10.983 5.062 1.00 0.00 C ATOM 489 O ALA A 61 16.633 -10.971 6.256 1.00 0.00 O ATOM 490 CB ALA A 61 15.036 -10.960 3.429 1.00 0.00 C ATOM 0 H ALA A 61 14.585 -13.193 4.382 1.00 0.00 H new ATOM 0 HA ALA A 61 16.819 -12.144 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.481 -10.076 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.518 -11.541 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.325 -10.653 4.196 1.00 0.00 H new ATOM 496 N PRO A 62 17.976 -10.281 4.582 1.00 0.00 N ATOM 497 CA PRO A 62 18.834 -9.450 5.433 1.00 0.00 C ATOM 498 C PRO A 62 18.142 -8.170 5.889 1.00 0.00 C ATOM 499 O PRO A 62 17.160 -7.734 5.289 1.00 0.00 O ATOM 500 CB PRO A 62 20.019 -9.121 4.524 1.00 0.00 C ATOM 501 CG PRO A 62 19.461 -9.178 3.145 1.00 0.00 C ATOM 502 CD PRO A 62 18.403 -10.247 3.169 1.00 0.00 C ATOM 0 HA PRO A 62 19.112 -9.963 6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.427 -8.135 4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.829 -9.838 4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 62 19.037 -8.216 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.239 -9.415 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.573 -10.005 2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.799 -11.210 2.846 1.00 0.00 H new ATOM 510 N GLN A 63 18.663 -7.572 6.958 1.00 0.00 N ATOM 511 CA GLN A 63 18.102 -6.339 7.503 1.00 0.00 C ATOM 512 C GLN A 63 17.877 -5.299 6.408 1.00 0.00 C ATOM 513 O GLN A 63 16.983 -4.459 6.512 1.00 0.00 O ATOM 514 CB GLN A 63 19.028 -5.769 8.578 1.00 0.00 C ATOM 515 CG GLN A 63 18.437 -4.584 9.325 1.00 0.00 C ATOM 516 CD GLN A 63 18.262 -4.855 10.807 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.682 -5.867 11.201 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.764 -3.948 11.638 1.00 0.00 N ATOM 0 H GLN A 63 19.475 -7.923 7.465 1.00 0.00 H new ATOM 0 HA GLN A 63 17.136 -6.579 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.268 -6.556 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.966 -5.464 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.084 -3.717 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.470 -4.330 8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 63 19.237 -3.124 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.676 -4.076 12.646 1.00 0.00 H new ATOM 527 N SER A 64 18.693 -5.359 5.360 1.00 0.00 N ATOM 528 CA SER A 64 18.579 -4.420 4.249 1.00 0.00 C ATOM 529 C SER A 64 17.203 -4.516 3.597 1.00 0.00 C ATOM 530 O SER A 64 16.549 -3.502 3.348 1.00 0.00 O ATOM 531 CB SER A 64 19.669 -4.692 3.211 1.00 0.00 C ATOM 532 OG SER A 64 20.819 -3.902 3.459 1.00 0.00 O ATOM 0 H SER A 64 19.439 -6.047 5.257 1.00 0.00 H new ATOM 0 HA SER A 64 18.706 -3.411 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.938 -5.748 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.286 -4.479 2.213 1.00 0.00 H new ATOM 0 HG SER A 64 21.501 -4.096 2.783 1.00 0.00 H new ATOM 538 N LEU A 65 16.769 -5.741 3.327 1.00 0.00 N ATOM 539 CA LEU A 65 15.470 -5.972 2.706 1.00 0.00 C ATOM 540 C LEU A 65 14.349 -5.817 3.727 1.00 0.00 C ATOM 541 O LEU A 65 13.242 -5.394 3.391 1.00 0.00 O ATOM 542 CB LEU A 65 15.422 -7.370 2.085 1.00 0.00 C ATOM 543 CG LEU A 65 14.542 -7.498 0.841 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.091 -7.191 1.180 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.042 -6.577 -0.261 1.00 0.00 C ATOM 0 H LEU A 65 17.297 -6.590 3.528 1.00 0.00 H new ATOM 0 HA LEU A 65 15.329 -5.229 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.437 -7.670 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.065 -8.073 2.838 1.00 0.00 H new ATOM 0 HG LEU A 65 14.599 -8.525 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.480 -7.287 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.738 -7.892 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.014 -6.174 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.404 -6.681 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.015 -5.545 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.066 -6.845 -0.522 1.00 0.00 H new ATOM 557 N ARG A 66 14.642 -6.162 4.976 1.00 0.00 N ATOM 558 CA ARG A 66 13.659 -6.061 6.048 1.00 0.00 C ATOM 559 C ARG A 66 13.224 -4.615 6.254 1.00 0.00 C ATOM 560 O ARG A 66 12.030 -4.309 6.239 1.00 0.00 O ATOM 561 CB ARG A 66 14.231 -6.630 7.347 1.00 0.00 C ATOM 562 CG ARG A 66 14.601 -8.101 7.253 1.00 0.00 C ATOM 563 CD ARG A 66 15.623 -8.489 8.310 1.00 0.00 C ATOM 564 NE ARG A 66 15.280 -9.749 8.967 1.00 0.00 N ATOM 565 CZ ARG A 66 16.098 -10.401 9.790 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.304 -9.917 10.060 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.708 -11.540 10.346 1.00 0.00 N ATOM 0 H ARG A 66 15.553 -6.514 5.271 1.00 0.00 H new ATOM 0 HA ARG A 66 12.783 -6.644 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.116 -6.058 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.501 -6.497 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.705 -8.711 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.003 -8.313 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.606 -8.577 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.691 -7.698 9.056 1.00 0.00 H new ATOM 0 HE ARG A 66 14.361 -10.152 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.609 -9.041 9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.926 -10.421 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.782 -11.916 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.334 -12.040 10.977 1.00 0.00 H new ATOM 581 N ASN A 67 14.194 -3.723 6.441 1.00 0.00 N ATOM 582 CA ASN A 67 13.890 -2.311 6.642 1.00 0.00 C ATOM 583 C ASN A 67 13.145 -1.755 5.434 1.00 0.00 C ATOM 584 O ASN A 67 12.301 -0.869 5.565 1.00 0.00 O ATOM 585 CB ASN A 67 15.166 -1.505 6.907 1.00 0.00 C ATOM 586 CG ASN A 67 16.165 -1.574 5.768 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.799 -1.488 4.597 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.439 -1.725 6.110 1.00 0.00 N ATOM 0 H ASN A 67 15.188 -3.951 6.457 1.00 0.00 H new ATOM 0 HA ASN A 67 13.250 -2.221 7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.899 -0.463 7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.638 -1.873 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.158 -1.774 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.698 -1.792 7.094 1.00 0.00 H new ATOM 595 N ARG A 68 13.452 -2.296 4.258 1.00 0.00 N ATOM 596 CA ARG A 68 12.801 -1.872 3.028 1.00 0.00 C ATOM 597 C ARG A 68 11.325 -2.253 3.056 1.00 0.00 C ATOM 598 O ARG A 68 10.480 -1.568 2.479 1.00 0.00 O ATOM 599 CB ARG A 68 13.485 -2.521 1.826 1.00 0.00 C ATOM 600 CG ARG A 68 13.143 -1.865 0.502 1.00 0.00 C ATOM 601 CD ARG A 68 12.546 -2.863 -0.476 1.00 0.00 C ATOM 602 NE ARG A 68 12.160 -2.234 -1.737 1.00 0.00 N ATOM 603 CZ ARG A 68 13.002 -2.012 -2.745 1.00 0.00 C ATOM 604 NH1 ARG A 68 14.279 -2.358 -2.643 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.565 -1.439 -3.858 1.00 0.00 N ATOM 0 H ARG A 68 14.149 -3.030 4.134 1.00 0.00 H new ATOM 0 HA ARG A 68 12.883 -0.789 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.565 -2.485 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.204 -3.573 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.437 -1.051 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.041 -1.424 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.270 -3.654 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.673 -3.334 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 68 11.188 -1.948 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.622 -2.797 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.918 -2.185 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.585 -1.169 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.209 -1.268 -4.631 1.00 0.00 H new ATOM 619 N TYR A 69 11.027 -3.354 3.740 1.00 0.00 N ATOM 620 CA TYR A 69 9.659 -3.843 3.860 1.00 0.00 C ATOM 621 C TYR A 69 8.765 -2.802 4.525 1.00 0.00 C ATOM 622 O TYR A 69 7.839 -2.278 3.907 1.00 0.00 O ATOM 623 CB TYR A 69 9.641 -5.141 4.671 1.00 0.00 C ATOM 624 CG TYR A 69 8.294 -5.826 4.704 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.219 -5.258 5.376 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.099 -7.044 4.066 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.988 -5.885 5.411 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.871 -7.677 4.096 1.00 0.00 C ATOM 629 CZ TYR A 69 5.819 -7.094 4.769 1.00 0.00 C ATOM 630 OH TYR A 69 4.595 -7.721 4.801 1.00 0.00 O ATOM 0 H TYR A 69 11.720 -3.927 4.222 1.00 0.00 H new ATOM 0 HA TYR A 69 9.273 -4.036 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.377 -5.828 4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.952 -4.923 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.347 -4.311 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.921 -7.504 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.162 -5.431 5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.736 -8.624 3.595 1.00 0.00 H new ATOM 0 HH TYR A 69 4.645 -8.562 4.300 1.00 0.00 H new ATOM 640 N ASN A 70 9.048 -2.511 5.790 1.00 0.00 N ATOM 641 CA ASN A 70 8.269 -1.534 6.545 1.00 0.00 C ATOM 642 C ASN A 70 8.278 -0.170 5.860 1.00 0.00 C ATOM 643 O ASN A 70 7.363 0.632 6.043 1.00 0.00 O ATOM 644 CB ASN A 70 8.816 -1.405 7.968 1.00 0.00 C ATOM 645 CG ASN A 70 10.251 -0.915 7.994 1.00 0.00 C ATOM 646 OD1 ASN A 70 11.182 -1.695 8.194 1.00 0.00 O ATOM 647 ND2 ASN A 70 10.436 0.384 7.791 1.00 0.00 N ATOM 0 H ASN A 70 9.811 -2.938 6.315 1.00 0.00 H new ATOM 0 HA ASN A 70 7.239 -1.888 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.189 -0.716 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.756 -2.373 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.379 0.772 7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.635 0.994 7.629 1.00 0.00 H new ATOM 654 N ASN A 71 9.320 0.090 5.076 1.00 0.00 N ATOM 655 CA ASN A 71 9.446 1.361 4.370 1.00 0.00 C ATOM 656 C ASN A 71 8.252 1.604 3.451 1.00 0.00 C ATOM 657 O ASN A 71 7.445 2.503 3.690 1.00 0.00 O ATOM 658 CB ASN A 71 10.744 1.390 3.560 1.00 0.00 C ATOM 659 CG ASN A 71 11.175 2.801 3.210 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.641 3.551 4.067 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.020 3.170 1.943 1.00 0.00 N ATOM 0 H ASN A 71 10.088 -0.561 4.914 1.00 0.00 H new ATOM 0 HA ASN A 71 9.470 2.157 5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.535 0.902 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.610 0.816 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.292 4.108 1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.629 2.515 1.265 1.00 0.00 H new ATOM 668 N LEU A 72 8.147 0.800 2.396 1.00 0.00 N ATOM 669 CA LEU A 72 7.054 0.934 1.439 1.00 0.00 C ATOM 670 C LEU A 72 5.699 0.829 2.133 1.00 0.00 C ATOM 671 O LEU A 72 4.748 1.517 1.763 1.00 0.00 O ATOM 672 CB LEU A 72 7.166 -0.133 0.348 1.00 0.00 C ATOM 673 CG LEU A 72 7.188 -1.578 0.849 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.778 -2.061 1.159 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.852 -2.485 -0.178 1.00 0.00 C ATOM 0 H LEU A 72 8.805 0.050 2.183 1.00 0.00 H new ATOM 0 HA LEU A 72 7.129 1.921 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.328 -0.016 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.075 0.050 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 72 7.770 -1.615 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.816 -3.091 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.338 -1.428 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.169 -2.011 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.860 -3.510 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.296 -2.442 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.876 -2.153 -0.349 1.00 0.00 H new ATOM 687 N TYR A 73 5.617 -0.033 3.141 1.00 0.00 N ATOM 688 CA TYR A 73 4.374 -0.220 3.879 1.00 0.00 C ATOM 689 C TYR A 73 4.078 0.988 4.761 1.00 0.00 C ATOM 690 O TYR A 73 2.918 1.309 5.019 1.00 0.00 O ATOM 691 CB TYR A 73 4.439 -1.488 4.731 1.00 0.00 C ATOM 692 CG TYR A 73 3.082 -1.982 5.183 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.986 -1.942 4.328 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.895 -2.485 6.464 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.745 -2.389 4.738 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.657 -2.935 6.881 1.00 0.00 C ATOM 697 CZ TYR A 73 0.585 -2.885 6.014 1.00 0.00 C ATOM 698 OH TYR A 73 -0.650 -3.331 6.426 1.00 0.00 O ATOM 0 H TYR A 73 6.393 -0.611 3.464 1.00 0.00 H new ATOM 0 HA TYR A 73 3.567 -0.325 3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.932 -2.275 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.057 -1.296 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.107 -1.555 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.732 -2.525 7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.096 -2.350 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.529 -3.324 7.880 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.198 -2.567 6.703 1.00 0.00 H new ATOM 708 N SER A 74 5.132 1.660 5.217 1.00 0.00 N ATOM 709 CA SER A 74 4.978 2.837 6.064 1.00 0.00 C ATOM 710 C SER A 74 4.084 3.870 5.386 1.00 0.00 C ATOM 711 O SER A 74 3.148 4.392 5.991 1.00 0.00 O ATOM 712 CB SER A 74 6.345 3.449 6.380 1.00 0.00 C ATOM 713 OG SER A 74 6.575 3.489 7.778 1.00 0.00 O ATOM 0 H SER A 74 6.100 1.409 5.014 1.00 0.00 H new ATOM 0 HA SER A 74 4.508 2.529 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.129 2.866 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.399 4.458 5.970 1.00 0.00 H new ATOM 0 HG SER A 74 7.455 3.882 7.954 1.00 0.00 H new ATOM 719 N HIS A 75 4.375 4.150 4.120 1.00 0.00 N ATOM 720 CA HIS A 75 3.593 5.110 3.351 1.00 0.00 C ATOM 721 C HIS A 75 2.232 4.526 2.982 1.00 0.00 C ATOM 722 O HIS A 75 1.288 5.261 2.693 1.00 0.00 O ATOM 723 CB HIS A 75 4.346 5.517 2.083 1.00 0.00 C ATOM 724 CG HIS A 75 5.764 5.926 2.331 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.772 5.750 1.406 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.343 6.510 3.408 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.909 6.205 1.904 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.675 6.672 3.116 1.00 0.00 N ATOM 0 H HIS A 75 5.147 3.726 3.605 1.00 0.00 H new ATOM 0 HA HIS A 75 3.437 5.994 3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.335 4.683 1.381 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.817 6.342 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.849 6.795 4.325 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.866 6.196 1.404 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.371 7.086 3.736 1.00 0.00 H new ATOM 737 N THR A 76 2.138 3.198 2.992 1.00 0.00 N ATOM 738 CA THR A 76 0.893 2.518 2.657 1.00 0.00 C ATOM 739 C THR A 76 -0.103 2.595 3.812 1.00 0.00 C ATOM 740 O THR A 76 -1.308 2.721 3.598 1.00 0.00 O ATOM 741 CB THR A 76 1.163 1.056 2.305 1.00 0.00 C ATOM 742 OG1 THR A 76 2.213 0.952 1.359 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.045 0.352 1.730 1.00 0.00 C ATOM 0 H THR A 76 2.909 2.574 3.228 1.00 0.00 H new ATOM 0 HA THR A 76 0.460 3.021 1.793 1.00 0.00 H new ATOM 0 HB THR A 76 1.433 0.575 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.051 1.258 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.212 -0.682 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.858 0.372 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.361 0.858 0.818 1.00 0.00 H new ATOM 751 N GLN A 77 0.409 2.512 5.034 1.00 0.00 N ATOM 752 CA GLN A 77 -0.435 2.568 6.223 1.00 0.00 C ATOM 753 C GLN A 77 -0.910 3.993 6.502 1.00 0.00 C ATOM 754 O GLN A 77 -1.920 4.196 7.176 1.00 0.00 O ATOM 755 CB GLN A 77 0.323 2.026 7.437 1.00 0.00 C ATOM 756 CG GLN A 77 0.535 0.521 7.401 1.00 0.00 C ATOM 757 CD GLN A 77 -0.537 -0.236 8.161 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.294 -1.014 7.580 1.00 0.00 O ATOM 759 NE2 GLN A 77 -0.608 -0.011 9.468 1.00 0.00 N ATOM 0 H GLN A 77 1.405 2.406 5.228 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.312 1.947 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.293 2.520 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.225 2.286 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.547 0.184 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.511 0.285 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.040 0.642 9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.310 -0.491 10.031 1.00 0.00 H new ATOM 768 N ARG A 78 -0.176 4.977 5.989 1.00 0.00 N ATOM 769 CA ARG A 78 -0.529 6.378 6.197 1.00 0.00 C ATOM 770 C ARG A 78 -1.327 6.935 5.020 1.00 0.00 C ATOM 771 O ARG A 78 -2.108 7.874 5.179 1.00 0.00 O ATOM 772 CB ARG A 78 0.735 7.215 6.410 1.00 0.00 C ATOM 773 CG ARG A 78 1.651 7.252 5.198 1.00 0.00 C ATOM 774 CD ARG A 78 1.338 8.438 4.299 1.00 0.00 C ATOM 775 NE ARG A 78 2.208 9.580 4.574 1.00 0.00 N ATOM 776 CZ ARG A 78 3.455 9.688 4.120 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.982 8.726 3.372 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.177 10.761 4.415 1.00 0.00 N ATOM 0 H ARG A 78 0.664 4.831 5.428 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.156 6.434 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.447 8.234 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.287 6.814 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.689 7.307 5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.545 6.327 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.449 8.141 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.298 8.733 4.438 1.00 0.00 H new ATOM 0 HE ARG A 78 1.838 10.338 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.431 7.899 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.938 8.814 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.777 11.503 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.132 10.844 4.067 1.00 0.00 H new ATOM 792 N THR A 79 -1.124 6.361 3.838 1.00 0.00 N ATOM 793 CA THR A 79 -1.824 6.813 2.640 1.00 0.00 C ATOM 794 C THR A 79 -3.279 6.347 2.637 1.00 0.00 C ATOM 795 O THR A 79 -4.180 7.105 2.278 1.00 0.00 O ATOM 796 CB THR A 79 -1.113 6.303 1.386 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.718 6.828 0.217 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.121 4.796 1.270 1.00 0.00 C ATOM 0 H THR A 79 -0.482 5.584 3.684 1.00 0.00 H new ATOM 0 HA THR A 79 -1.815 7.903 2.641 1.00 0.00 H new ATOM 0 HB THR A 79 -0.081 6.640 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.435 6.228 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.601 4.498 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.617 4.362 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.150 4.439 1.233 1.00 0.00 H new ATOM 806 N LEU A 80 -3.502 5.097 3.031 1.00 0.00 N ATOM 807 CA LEU A 80 -4.850 4.536 3.065 1.00 0.00 C ATOM 808 C LEU A 80 -5.773 5.375 3.946 1.00 0.00 C ATOM 809 O LEU A 80 -6.960 5.521 3.654 1.00 0.00 O ATOM 810 CB LEU A 80 -4.819 3.092 3.571 1.00 0.00 C ATOM 811 CG LEU A 80 -4.108 2.096 2.653 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.632 0.887 3.443 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.028 1.668 1.524 1.00 0.00 C ATOM 0 H LEU A 80 -2.769 4.454 3.331 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.240 4.548 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.331 3.076 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.844 2.755 3.722 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.236 2.586 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.129 0.190 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.938 1.210 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.488 0.394 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.508 0.959 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.918 1.195 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.320 2.542 0.941 1.00 0.00 H new ATOM 825 N ASP A 81 -5.222 5.922 5.024 1.00 0.00 N ATOM 826 CA ASP A 81 -5.999 6.744 5.945 1.00 0.00 C ATOM 827 C ASP A 81 -6.549 7.982 5.240 1.00 0.00 C ATOM 828 O ASP A 81 -7.709 8.348 5.424 1.00 0.00 O ATOM 829 CB ASP A 81 -5.137 7.159 7.140 1.00 0.00 C ATOM 830 CG ASP A 81 -5.736 6.724 8.464 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.968 6.845 8.626 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.973 6.261 9.337 1.00 0.00 O ATOM 0 H ASP A 81 -4.241 5.811 5.282 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.841 6.151 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.142 6.726 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.015 8.242 7.138 1.00 0.00 H new ATOM 837 N MET A 82 -5.709 8.620 4.432 1.00 0.00 N ATOM 838 CA MET A 82 -6.109 9.817 3.698 1.00 0.00 C ATOM 839 C MET A 82 -7.260 9.519 2.741 1.00 0.00 C ATOM 840 O MET A 82 -7.987 10.424 2.333 1.00 0.00 O ATOM 841 CB MET A 82 -4.917 10.385 2.924 1.00 0.00 C ATOM 842 CG MET A 82 -4.021 11.285 3.760 1.00 0.00 C ATOM 843 SD MET A 82 -2.966 12.344 2.752 1.00 0.00 S ATOM 844 CE MET A 82 -2.267 11.144 1.620 1.00 0.00 C ATOM 0 H MET A 82 -4.745 8.328 4.268 1.00 0.00 H new ATOM 0 HA MET A 82 -6.452 10.557 4.421 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.323 9.560 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.286 10.949 2.067 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.639 11.906 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.398 10.669 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.294 11.493 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.149 10.188 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.932 11.020 0.765 1.00 0.00 H new ATOM 854 N ALA A 83 -7.423 8.248 2.386 1.00 0.00 N ATOM 855 CA ALA A 83 -8.490 7.843 1.479 1.00 0.00 C ATOM 856 C ALA A 83 -9.838 7.822 2.190 1.00 0.00 C ATOM 857 O ALA A 83 -10.853 8.227 1.626 1.00 0.00 O ATOM 858 CB ALA A 83 -8.186 6.477 0.881 1.00 0.00 C ATOM 0 H ALA A 83 -6.832 7.484 2.712 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.545 8.576 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.992 6.188 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.248 6.523 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.101 5.741 1.680 1.00 0.00 H new ATOM 864 N ASP A 84 -9.840 7.346 3.433 1.00 0.00 N ATOM 865 CA ASP A 84 -11.065 7.267 4.225 1.00 0.00 C ATOM 866 C ASP A 84 -11.330 8.574 4.970 1.00 0.00 C ATOM 867 O ASP A 84 -11.694 8.566 6.147 1.00 0.00 O ATOM 868 CB ASP A 84 -10.975 6.108 5.219 1.00 0.00 C ATOM 869 CG ASP A 84 -12.278 5.343 5.337 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.071 5.366 4.372 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.507 4.721 6.396 1.00 0.00 O ATOM 0 H ASP A 84 -9.006 7.009 3.914 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.896 7.093 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.184 5.426 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.694 6.495 6.199 1.00 0.00 H new ATOM 876 N MET A 85 -11.150 9.695 4.280 1.00 0.00 N ATOM 877 CA MET A 85 -11.373 11.007 4.879 1.00 0.00 C ATOM 878 C MET A 85 -12.256 11.874 3.986 1.00 0.00 C ATOM 879 O MET A 85 -13.175 12.542 4.460 1.00 0.00 O ATOM 880 CB MET A 85 -10.037 11.708 5.131 1.00 0.00 C ATOM 881 CG MET A 85 -9.223 11.077 6.248 1.00 0.00 C ATOM 882 SD MET A 85 -7.661 11.930 6.539 1.00 0.00 S ATOM 883 CE MET A 85 -8.011 12.758 8.088 1.00 0.00 C ATOM 0 H MET A 85 -10.850 9.722 3.305 1.00 0.00 H new ATOM 0 HA MET A 85 -11.885 10.861 5.830 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.450 11.695 4.213 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.225 12.754 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.810 11.080 7.166 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.022 10.034 6.001 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.157 13.372 8.373 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.890 13.391 7.971 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.199 12.015 8.863 1.00 0.00 H new ATOM 893 N GLN A 86 -11.957 11.867 2.691 1.00 0.00 N ATOM 894 CA GLN A 86 -12.706 12.659 1.717 1.00 0.00 C ATOM 895 C GLN A 86 -14.213 12.411 1.806 1.00 0.00 C ATOM 896 O GLN A 86 -15.009 13.282 1.456 1.00 0.00 O ATOM 897 CB GLN A 86 -12.218 12.350 0.301 1.00 0.00 C ATOM 898 CG GLN A 86 -12.670 13.367 -0.734 1.00 0.00 C ATOM 899 CD GLN A 86 -12.058 14.735 -0.511 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.769 15.728 -0.353 1.00 0.00 O ATOM 901 NE2 GLN A 86 -10.732 14.795 -0.498 1.00 0.00 N ATOM 0 H GLN A 86 -11.197 11.319 2.288 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.528 13.709 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.129 12.305 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.577 11.363 0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.403 13.011 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.756 13.450 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.182 13.947 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.263 15.689 -0.353 1.00 0.00 H new ATOM 910 N HIS A 87 -14.602 11.223 2.261 1.00 0.00 N ATOM 911 CA HIS A 87 -16.019 10.877 2.376 1.00 0.00 C ATOM 912 C HIS A 87 -16.708 11.716 3.449 1.00 0.00 C ATOM 913 O HIS A 87 -17.059 11.214 4.516 1.00 0.00 O ATOM 914 CB HIS A 87 -16.191 9.391 2.692 1.00 0.00 C ATOM 915 CG HIS A 87 -15.243 8.501 1.952 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.051 8.064 2.487 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.318 7.960 0.712 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.433 7.295 1.610 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.180 7.216 0.525 1.00 0.00 N ATOM 0 H HIS A 87 -13.961 10.486 2.555 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.487 11.092 1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.056 9.239 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.213 9.095 2.454 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.701 8.298 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.123 8.090 0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.478 6.812 1.756 1.00 0.00 H new ATOM 928 N ARG A 88 -16.898 12.998 3.159 1.00 0.00 N ATOM 929 CA ARG A 88 -17.541 13.914 4.097 1.00 0.00 C ATOM 930 C ARG A 88 -18.833 13.331 4.670 1.00 0.00 C ATOM 931 O ARG A 88 -19.267 13.719 5.755 1.00 0.00 O ATOM 932 CB ARG A 88 -17.837 15.251 3.412 1.00 0.00 C ATOM 933 CG ARG A 88 -16.665 15.801 2.615 1.00 0.00 C ATOM 934 CD ARG A 88 -16.506 17.300 2.819 1.00 0.00 C ATOM 935 NE ARG A 88 -17.196 18.071 1.787 1.00 0.00 N ATOM 936 CZ ARG A 88 -16.702 18.290 0.570 1.00 0.00 C ATOM 937 NH1 ARG A 88 -15.520 17.794 0.226 1.00 0.00 N ATOM 938 NH2 ARG A 88 -17.394 19.006 -0.307 1.00 0.00 N ATOM 0 H ARG A 88 -16.615 13.429 2.279 1.00 0.00 H new ATOM 0 HA ARG A 88 -16.849 14.071 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -18.691 15.127 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.125 15.981 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.749 15.293 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.813 15.591 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.896 17.576 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.446 17.556 2.815 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.110 18.465 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.984 17.241 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.147 17.965 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.304 19.388 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.016 19.174 -1.239 1.00 0.00 H new ATOM 952 N TYR A 89 -19.452 12.408 3.939 1.00 0.00 N ATOM 953 CA TYR A 89 -20.698 11.795 4.388 1.00 0.00 C ATOM 954 C TYR A 89 -20.460 10.426 5.024 1.00 0.00 C ATOM 955 O TYR A 89 -20.929 10.160 6.131 1.00 0.00 O ATOM 956 CB TYR A 89 -21.674 11.661 3.218 1.00 0.00 C ATOM 957 CG TYR A 89 -23.102 12.004 3.580 1.00 0.00 C ATOM 958 CD1 TYR A 89 -23.764 11.321 4.592 1.00 0.00 C ATOM 959 CD2 TYR A 89 -23.786 13.010 2.910 1.00 0.00 C ATOM 960 CE1 TYR A 89 -25.069 11.631 4.926 1.00 0.00 C ATOM 961 CE2 TYR A 89 -25.091 13.327 3.239 1.00 0.00 C ATOM 962 CZ TYR A 89 -25.727 12.635 4.247 1.00 0.00 C ATOM 963 OH TYR A 89 -27.026 12.947 4.577 1.00 0.00 O ATOM 0 H TYR A 89 -19.113 12.070 3.038 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.128 12.447 5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -21.347 12.311 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -21.639 10.639 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -23.251 10.535 5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -23.291 13.554 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -25.571 11.090 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -25.609 14.113 2.709 1.00 0.00 H new ATOM 0 HH TYR A 89 -27.343 13.677 4.005 1.00 0.00 H new ATOM 973 N MET A 90 -19.748 9.556 4.316 1.00 0.00 N ATOM 974 CA MET A 90 -19.473 8.211 4.815 1.00 0.00 C ATOM 975 C MET A 90 -18.517 8.230 6.006 1.00 0.00 C ATOM 976 O MET A 90 -18.634 7.407 6.913 1.00 0.00 O ATOM 977 CB MET A 90 -18.901 7.335 3.699 1.00 0.00 C ATOM 978 CG MET A 90 -19.740 7.346 2.430 1.00 0.00 C ATOM 979 SD MET A 90 -18.747 7.532 0.936 1.00 0.00 S ATOM 980 CE MET A 90 -19.301 9.135 0.360 1.00 0.00 C ATOM 0 H MET A 90 -19.351 9.756 3.398 1.00 0.00 H new ATOM 0 HA MET A 90 -20.419 7.790 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 90 -17.893 7.675 3.462 1.00 0.00 H new ATOM 0 HB3 MET A 90 -18.815 6.310 4.060 1.00 0.00 H new ATOM 0 HG2 MET A 90 -20.310 6.419 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 90 -20.462 8.161 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.589 9.065 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 90 -20.158 9.457 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 90 -18.494 9.859 0.467 1.00 0.00 H new ATOM 990 N THR A 91 -17.570 9.165 6.005 1.00 0.00 N ATOM 991 CA THR A 91 -16.607 9.266 7.098 1.00 0.00 C ATOM 992 C THR A 91 -16.698 10.624 7.788 1.00 0.00 C ATOM 993 O THR A 91 -17.595 11.417 7.504 1.00 0.00 O ATOM 994 CB THR A 91 -15.184 9.018 6.587 1.00 0.00 C ATOM 995 OG1 THR A 91 -14.296 8.799 7.668 1.00 0.00 O ATOM 996 CG2 THR A 91 -14.623 10.156 5.761 1.00 0.00 C ATOM 0 H THR A 91 -17.449 9.858 5.266 1.00 0.00 H new ATOM 0 HA THR A 91 -16.851 8.498 7.832 1.00 0.00 H new ATOM 0 HB THR A 91 -15.264 8.139 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.573 8.202 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.613 9.906 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.256 10.318 4.888 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.596 11.064 6.363 1.00 0.00 H new ATOM 1004 N GLY A 92 -15.770 10.880 8.704 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.771 12.137 9.429 1.00 0.00 C ATOM 1006 C GLY A 92 -14.862 13.182 8.809 1.00 0.00 C ATOM 1007 O GLY A 92 -13.644 13.138 8.982 1.00 0.00 O ATOM 0 H GLY A 92 -15.017 10.240 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.788 12.526 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.459 11.957 10.458 1.00 0.00 H new ATOM 1011 N ALA A 93 -15.460 14.130 8.093 1.00 0.00 N ATOM 1012 CA ALA A 93 -14.703 15.200 7.452 1.00 0.00 C ATOM 1013 C ALA A 93 -14.710 16.462 8.308 1.00 0.00 C ATOM 1014 O ALA A 93 -14.729 17.578 7.788 1.00 0.00 O ATOM 1015 CB ALA A 93 -15.267 15.499 6.072 1.00 0.00 C ATOM 0 H ALA A 93 -16.468 14.179 7.942 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.671 14.865 7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.690 16.299 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.208 14.604 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.308 15.808 6.164 1.00 0.00 H new ATOM 1021 N SER A 94 -14.701 16.277 9.624 1.00 0.00 N ATOM 1022 CA SER A 94 -14.713 17.399 10.556 1.00 0.00 C ATOM 1023 C SER A 94 -13.301 17.688 11.077 1.00 0.00 C ATOM 1024 O SER A 94 -12.433 18.097 10.308 1.00 0.00 O ATOM 1025 CB SER A 94 -15.678 17.117 11.711 1.00 0.00 C ATOM 1026 OG SER A 94 -15.433 15.843 12.282 1.00 0.00 O ATOM 0 H SER A 94 -14.685 15.360 10.070 1.00 0.00 H new ATOM 0 HA SER A 94 -15.060 18.287 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.571 17.888 12.474 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.706 17.166 11.350 1.00 0.00 H new ATOM 0 HG SER A 94 -16.061 15.688 13.018 1.00 0.00 H new ATOM 1032 N GLY A 95 -13.072 17.487 12.377 1.00 0.00 N ATOM 1033 CA GLY A 95 -11.762 17.742 12.948 1.00 0.00 C ATOM 1034 C GLY A 95 -10.671 16.910 12.302 1.00 0.00 C ATOM 1035 O GLY A 95 -10.231 15.906 12.862 1.00 0.00 O ATOM 0 H GLY A 95 -13.771 17.153 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.521 18.799 12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.789 17.532 14.017 1.00 0.00 H new ATOM 1039 N ILE A 96 -10.235 17.330 11.120 1.00 0.00 N ATOM 1040 CA ILE A 96 -9.190 16.621 10.391 1.00 0.00 C ATOM 1041 C ILE A 96 -8.016 17.542 10.079 1.00 0.00 C ATOM 1042 O ILE A 96 -7.992 18.699 10.499 1.00 0.00 O ATOM 1043 CB ILE A 96 -9.727 16.033 9.071 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -10.319 17.139 8.195 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -10.766 14.959 9.351 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -10.433 16.756 6.736 1.00 0.00 C ATOM 0 H ILE A 96 -10.590 18.160 10.645 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.852 15.808 11.034 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.897 15.576 8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -11.308 17.401 8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.699 18.031 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.135 14.555 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.313 14.159 9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.596 15.392 9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.860 17.587 6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.444 16.523 6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.077 15.882 6.638 1.00 0.00 H new ATOM 1058 N ASN A 97 -7.044 17.020 9.336 1.00 0.00 N ATOM 1059 CA ASN A 97 -5.864 17.792 8.958 1.00 0.00 C ATOM 1060 C ASN A 97 -6.260 19.135 8.350 1.00 0.00 C ATOM 1061 O ASN A 97 -7.420 19.348 7.997 1.00 0.00 O ATOM 1062 CB ASN A 97 -5.023 17.003 7.955 1.00 0.00 C ATOM 1063 CG ASN A 97 -5.841 16.535 6.766 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -6.193 17.466 5.885 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -6.154 15.352 6.641 1.00 0.00 N flip ATOM 0 H ASN A 97 -7.051 16.063 8.983 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.279 17.979 9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.199 17.625 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.582 16.140 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.862 14.670 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.705 15.053 5.837 1.00 0.00 H new ATOM 1072 N PRO A 98 -5.297 20.061 8.217 1.00 0.00 N ATOM 1073 CA PRO A 98 -5.545 21.388 7.647 1.00 0.00 C ATOM 1074 C PRO A 98 -5.786 21.333 6.139 1.00 0.00 C ATOM 1075 O PRO A 98 -5.087 21.986 5.365 1.00 0.00 O ATOM 1076 CB PRO A 98 -4.255 22.170 7.956 1.00 0.00 C ATOM 1077 CG PRO A 98 -3.473 21.309 8.894 1.00 0.00 C ATOM 1078 CD PRO A 98 -3.893 19.898 8.610 1.00 0.00 C ATOM 0 HA PRO A 98 -6.441 21.846 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.691 22.369 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.482 23.136 8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.402 21.436 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.678 21.576 9.931 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -3.298 19.449 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.788 19.259 9.486 1.00 0.00 H new ATOM 1086 N GLY A 99 -6.781 20.551 5.725 1.00 0.00 N ATOM 1087 CA GLY A 99 -7.089 20.433 4.312 1.00 0.00 C ATOM 1088 C GLY A 99 -6.165 19.470 3.592 1.00 0.00 C ATOM 1089 O GLY A 99 -4.943 19.614 3.645 1.00 0.00 O ATOM 0 H GLY A 99 -7.377 19.999 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.120 20.098 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.019 21.416 3.845 1.00 0.00 H new ATOM 1093 N MET A 100 -6.749 18.485 2.918 1.00 0.00 N ATOM 1094 CA MET A 100 -5.972 17.492 2.184 1.00 0.00 C ATOM 1095 C MET A 100 -6.517 17.316 0.769 1.00 0.00 C ATOM 1096 O MET A 100 -7.727 17.367 0.548 1.00 0.00 O ATOM 1097 CB MET A 100 -5.993 16.154 2.929 1.00 0.00 C ATOM 1098 CG MET A 100 -5.268 15.030 2.205 1.00 0.00 C ATOM 1099 SD MET A 100 -6.114 13.447 2.368 1.00 0.00 S ATOM 1100 CE MET A 100 -7.522 13.702 1.292 1.00 0.00 C ATOM 0 H MET A 100 -7.759 18.353 2.865 1.00 0.00 H new ATOM 0 HA MET A 100 -4.943 17.843 2.113 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.541 16.290 3.912 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.029 15.858 3.093 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.176 15.282 1.149 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.256 14.940 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.429 13.362 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.613 14.763 1.057 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.383 13.137 0.370 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.616 17.110 -0.187 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.009 16.927 -1.580 1.00 0.00 C ATOM 1112 C LEU A 101 -6.705 15.582 -1.777 1.00 0.00 C ATOM 1113 O LEU A 101 -6.450 14.628 -1.044 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.788 17.021 -2.499 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.807 18.146 -2.163 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.587 18.077 -3.067 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.488 19.501 -2.287 1.00 0.00 C ATOM 0 H LEU A 101 -4.610 17.066 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.709 17.722 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.253 16.072 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.134 17.156 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.478 18.020 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.900 18.885 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.086 17.119 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.898 18.178 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.776 20.290 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.846 19.636 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.331 19.549 -1.598 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.602 15.493 -2.774 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.344 14.261 -3.064 1.00 0.00 C ATOM 1131 C PRO A 102 -7.473 13.182 -3.698 1.00 0.00 C ATOM 1132 O PRO A 102 -7.614 11.998 -3.391 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.417 14.721 -4.051 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.824 15.909 -4.726 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.968 16.588 -3.693 1.00 0.00 C ATOM 0 HA PRO A 102 -8.738 13.806 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.658 13.937 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.343 14.978 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.230 15.611 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.602 16.580 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.087 17.047 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.513 17.379 -3.178 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.581 13.594 -4.592 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.700 12.654 -5.275 1.00 0.00 C ATOM 1145 C HIS A 103 -4.468 12.317 -4.431 1.00 0.00 C ATOM 1146 O HIS A 103 -3.703 11.417 -4.776 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.279 13.216 -6.638 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.176 14.229 -6.570 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.936 15.008 -5.457 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.244 14.587 -7.485 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.905 15.801 -5.691 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.467 15.565 -6.913 1.00 0.00 N ATOM 0 H HIS A 103 -6.449 14.569 -4.860 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.256 11.729 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.961 12.391 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.147 13.672 -7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.132 14.180 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.491 16.520 -4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.679 16.033 -7.361 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.281 13.036 -3.325 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.140 12.796 -2.444 1.00 0.00 C ATOM 1163 C GLU A 104 -3.053 11.322 -2.060 1.00 0.00 C ATOM 1164 O GLU A 104 -2.045 10.661 -2.311 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.250 13.656 -1.182 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.432 14.936 -1.245 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.064 14.784 -0.609 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.926 13.950 0.311 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.130 15.497 -1.033 1.00 0.00 O ATOM 0 H GLU A 104 -4.902 13.786 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.233 13.070 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.297 13.911 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.925 13.069 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.314 15.237 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.976 15.736 -0.742 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.120 10.814 -1.454 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.174 9.419 -1.037 1.00 0.00 C ATOM 1178 C ASN A 105 -4.017 8.491 -2.237 1.00 0.00 C ATOM 1179 O ASN A 105 -3.250 7.529 -2.196 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.498 9.131 -0.328 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.695 9.586 -1.139 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.236 8.830 -1.945 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.113 10.828 -0.928 1.00 0.00 N ATOM 0 H ASN A 105 -4.961 11.350 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.351 9.237 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.579 8.061 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.506 9.632 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.914 11.191 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.633 11.419 -0.249 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.750 8.788 -3.305 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.698 7.985 -4.521 1.00 0.00 C ATOM 1192 C VAL A 106 -3.277 7.907 -5.071 1.00 0.00 C ATOM 1193 O VAL A 106 -2.811 6.837 -5.461 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.627 8.554 -5.609 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.714 7.601 -6.791 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.009 8.833 -5.038 1.00 0.00 C ATOM 0 H VAL A 106 -5.389 9.582 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.035 6.984 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.207 9.496 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.375 8.021 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.721 7.456 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.109 6.642 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.652 9.235 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.438 7.907 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.928 9.558 -4.228 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.593 9.047 -5.097 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.223 9.105 -5.598 1.00 0.00 C ATOM 1208 C ASP A 107 -0.325 8.138 -4.833 1.00 0.00 C ATOM 1209 O ASP A 107 0.333 7.283 -5.427 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.675 10.529 -5.483 1.00 0.00 C ATOM 1211 CG ASP A 107 0.171 10.921 -6.678 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.192 10.544 -7.812 1.00 0.00 O ATOM 1213 OD2 ASP A 107 1.198 11.603 -6.480 1.00 0.00 O ATOM 0 H ASP A 107 -2.964 9.942 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.233 8.812 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.505 11.228 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.078 10.613 -4.575 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.306 8.276 -3.512 1.00 0.00 N ATOM 1219 CA ASP A 108 0.507 7.413 -2.663 1.00 0.00 C ATOM 1220 C ASP A 108 -0.037 5.986 -2.658 1.00 0.00 C ATOM 1221 O ASP A 108 0.690 5.036 -2.370 1.00 0.00 O ATOM 1222 CB ASP A 108 0.550 7.961 -1.236 1.00 0.00 C ATOM 1223 CG ASP A 108 1.743 8.867 -1.000 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.317 9.364 -1.992 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.103 9.080 0.176 1.00 0.00 O ATOM 0 H ASP A 108 -0.845 8.978 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 108 1.519 7.395 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.368 8.513 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.583 7.130 -0.531 1.00 0.00 H new ATOM 1230 N MET A 109 -1.321 5.844 -2.978 1.00 0.00 N ATOM 1231 CA MET A 109 -1.960 4.534 -3.011 1.00 0.00 C ATOM 1232 C MET A 109 -1.249 3.608 -3.992 1.00 0.00 C ATOM 1233 O MET A 109 -0.647 2.611 -3.596 1.00 0.00 O ATOM 1234 CB MET A 109 -3.434 4.677 -3.400 1.00 0.00 C ATOM 1235 CG MET A 109 -4.391 4.013 -2.424 1.00 0.00 C ATOM 1236 SD MET A 109 -4.163 4.580 -0.730 1.00 0.00 S ATOM 1237 CE MET A 109 -5.846 4.998 -0.294 1.00 0.00 C ATOM 0 H MET A 109 -1.938 6.620 -3.218 1.00 0.00 H new ATOM 0 HA MET A 109 -1.894 4.096 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.680 5.736 -3.473 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.583 4.247 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.417 4.213 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.251 2.933 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.845 5.635 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.316 5.528 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.405 4.086 -0.084 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.323 3.949 -5.273 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.685 3.153 -6.315 1.00 0.00 C ATOM 1249 C ARG A 110 0.809 3.006 -6.048 1.00 0.00 C ATOM 1250 O ARG A 110 1.419 2.000 -6.411 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.910 3.793 -7.686 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.451 5.241 -7.764 1.00 0.00 C ATOM 1253 CD ARG A 110 0.593 5.440 -8.852 1.00 0.00 C ATOM 1254 NE ARG A 110 1.949 5.221 -8.356 1.00 0.00 N ATOM 1255 CZ ARG A 110 2.996 4.974 -9.141 1.00 0.00 C ATOM 1256 NH1 ARG A 110 2.845 4.915 -10.459 1.00 0.00 N ATOM 1257 NH2 ARG A 110 4.195 4.786 -8.608 1.00 0.00 N ATOM 0 H ARG A 110 -1.819 4.772 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.137 2.161 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.380 3.211 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.971 3.743 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.308 5.885 -7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.037 5.544 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.393 4.755 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.512 6.451 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 110 2.103 5.260 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.924 5.059 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.650 4.726 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.316 4.830 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.997 4.597 -9.210 1.00 0.00 H new ATOM 1271 N SER A 111 1.394 4.014 -5.406 1.00 0.00 N ATOM 1272 CA SER A 111 2.816 3.991 -5.087 1.00 0.00 C ATOM 1273 C SER A 111 3.155 2.778 -4.228 1.00 0.00 C ATOM 1274 O SER A 111 4.220 2.177 -4.375 1.00 0.00 O ATOM 1275 CB SER A 111 3.220 5.276 -4.361 1.00 0.00 C ATOM 1276 OG SER A 111 4.476 5.129 -3.722 1.00 0.00 O ATOM 0 H SER A 111 0.905 4.855 -5.098 1.00 0.00 H new ATOM 0 HA SER A 111 3.374 3.923 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.265 6.100 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.461 5.534 -3.622 1.00 0.00 H new ATOM 0 HG SER A 111 4.711 5.964 -3.267 1.00 0.00 H new ATOM 1282 N ALA A 112 2.237 2.418 -3.336 1.00 0.00 N ATOM 1283 CA ALA A 112 2.436 1.271 -2.459 1.00 0.00 C ATOM 1284 C ALA A 112 2.455 -0.024 -3.261 1.00 0.00 C ATOM 1285 O ALA A 112 3.341 -0.861 -3.085 1.00 0.00 O ATOM 1286 CB ALA A 112 1.351 1.222 -1.392 1.00 0.00 C ATOM 0 H ALA A 112 1.350 2.903 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 112 3.402 1.381 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.515 0.360 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.386 2.134 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.375 1.138 -1.869 1.00 0.00 H new ATOM 1292 N ILE A 113 1.478 -0.182 -4.150 1.00 0.00 N ATOM 1293 CA ILE A 113 1.395 -1.374 -4.981 1.00 0.00 C ATOM 1294 C ILE A 113 2.616 -1.481 -5.891 1.00 0.00 C ATOM 1295 O ILE A 113 3.028 -2.577 -6.269 1.00 0.00 O ATOM 1296 CB ILE A 113 0.096 -1.391 -5.826 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.482 -2.806 -5.879 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.341 -0.864 -7.236 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.505 -3.082 -4.798 1.00 0.00 C ATOM 0 H ILE A 113 0.736 0.499 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 113 1.373 -2.236 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.625 -0.730 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.943 -2.965 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.332 -3.526 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.591 -0.890 -7.801 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.705 0.162 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.084 -1.487 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.872 -4.104 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.043 -2.955 -3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.338 -2.386 -4.899 1.00 0.00 H new ATOM 1311 N THR A 114 3.194 -0.333 -6.234 1.00 0.00 N ATOM 1312 CA THR A 114 4.373 -0.298 -7.090 1.00 0.00 C ATOM 1313 C THR A 114 5.516 -1.073 -6.446 1.00 0.00 C ATOM 1314 O THR A 114 6.263 -1.780 -7.123 1.00 0.00 O ATOM 1315 CB THR A 114 4.799 1.147 -7.351 1.00 0.00 C ATOM 1316 OG1 THR A 114 3.733 1.890 -7.915 1.00 0.00 O ATOM 1317 CG2 THR A 114 5.984 1.263 -8.285 1.00 0.00 C ATOM 0 H THR A 114 2.864 0.584 -5.932 1.00 0.00 H new ATOM 0 HA THR A 114 4.124 -0.766 -8.042 1.00 0.00 H new ATOM 0 HB THR A 114 5.085 1.544 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.004 1.961 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.234 2.314 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.839 0.742 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.734 0.816 -9.247 1.00 0.00 H new ATOM 1325 N ASP A 115 5.637 -0.941 -5.129 1.00 0.00 N ATOM 1326 CA ASP A 115 6.677 -1.636 -4.383 1.00 0.00 C ATOM 1327 C ASP A 115 6.200 -3.027 -3.980 1.00 0.00 C ATOM 1328 O ASP A 115 6.946 -4.002 -4.073 1.00 0.00 O ATOM 1329 CB ASP A 115 7.069 -0.834 -3.140 1.00 0.00 C ATOM 1330 CG ASP A 115 8.567 -0.834 -2.902 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.247 -1.758 -3.396 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.059 0.090 -2.221 1.00 0.00 O ATOM 0 H ASP A 115 5.026 -0.358 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 115 7.553 -1.737 -5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.721 0.193 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.565 -1.251 -2.268 1.00 0.00 H new ATOM 1337 N TRP A 116 4.947 -3.110 -3.540 1.00 0.00 N ATOM 1338 CA TRP A 116 4.363 -4.382 -3.133 1.00 0.00 C ATOM 1339 C TRP A 116 4.319 -5.349 -4.309 1.00 0.00 C ATOM 1340 O TRP A 116 4.756 -6.495 -4.202 1.00 0.00 O ATOM 1341 CB TRP A 116 2.953 -4.166 -2.581 1.00 0.00 C ATOM 1342 CG TRP A 116 2.933 -3.819 -1.124 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.757 -2.581 -0.579 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.098 -4.723 -0.027 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.802 -2.658 0.792 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.011 -3.963 1.155 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.310 -6.100 0.072 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.129 -4.537 2.419 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.427 -6.668 1.326 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.336 -5.887 2.485 1.00 0.00 C ATOM 0 H TRP A 116 4.318 -2.311 -3.457 1.00 0.00 H new ATOM 0 HA TRP A 116 4.987 -4.812 -2.350 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.468 -3.368 -3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.366 -5.070 -2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.605 -1.673 -1.143 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.697 -1.873 1.434 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.381 -6.710 -0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.059 -3.937 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.591 -7.732 1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.431 -6.361 3.451 1.00 0.00 H new ATOM 1361 N SER A 117 3.795 -4.874 -5.435 1.00 0.00 N ATOM 1362 CA SER A 117 3.701 -5.690 -6.639 1.00 0.00 C ATOM 1363 C SER A 117 5.083 -6.177 -7.059 1.00 0.00 C ATOM 1364 O SER A 117 5.290 -7.367 -7.302 1.00 0.00 O ATOM 1365 CB SER A 117 3.060 -4.891 -7.775 1.00 0.00 C ATOM 1366 OG SER A 117 2.710 -5.734 -8.858 1.00 0.00 O ATOM 0 H SER A 117 3.429 -3.927 -5.538 1.00 0.00 H new ATOM 0 HA SER A 117 3.075 -6.555 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.171 -4.379 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.752 -4.122 -8.118 1.00 0.00 H new ATOM 0 HG SER A 117 2.301 -5.199 -9.570 1.00 0.00 H new ATOM 1372 N ASP A 118 6.030 -5.246 -7.131 1.00 0.00 N ATOM 1373 CA ASP A 118 7.398 -5.574 -7.509 1.00 0.00 C ATOM 1374 C ASP A 118 8.002 -6.561 -6.517 1.00 0.00 C ATOM 1375 O ASP A 118 8.820 -7.405 -6.883 1.00 0.00 O ATOM 1376 CB ASP A 118 8.251 -4.306 -7.569 1.00 0.00 C ATOM 1377 CG ASP A 118 9.601 -4.547 -8.215 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.051 -5.712 -8.232 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.209 -3.571 -8.704 1.00 0.00 O ATOM 0 H ASP A 118 5.873 -4.258 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 118 7.381 -6.035 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.716 -3.538 -8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.398 -3.922 -6.559 1.00 0.00 H new ATOM 1384 N MET A 119 7.589 -6.448 -5.259 1.00 0.00 N ATOM 1385 CA MET A 119 8.083 -7.330 -4.210 1.00 0.00 C ATOM 1386 C MET A 119 7.641 -8.766 -4.462 1.00 0.00 C ATOM 1387 O MET A 119 8.427 -9.701 -4.325 1.00 0.00 O ATOM 1388 CB MET A 119 7.584 -6.863 -2.842 1.00 0.00 C ATOM 1389 CG MET A 119 8.477 -7.293 -1.690 1.00 0.00 C ATOM 1390 SD MET A 119 8.228 -6.294 -0.209 1.00 0.00 S ATOM 1391 CE MET A 119 9.872 -6.330 0.501 1.00 0.00 C ATOM 0 H MET A 119 6.913 -5.753 -4.942 1.00 0.00 H new ATOM 0 HA MET A 119 9.172 -7.294 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.506 -5.776 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.580 -7.254 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.282 -8.339 -1.455 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.520 -7.225 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.829 -5.993 1.537 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.261 -7.348 0.467 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.528 -5.671 -0.068 1.00 0.00 H new ATOM 1401 N ARG A 120 6.376 -8.936 -4.835 1.00 0.00 N ATOM 1402 CA ARG A 120 5.831 -10.262 -5.109 1.00 0.00 C ATOM 1403 C ARG A 120 6.709 -11.014 -6.106 1.00 0.00 C ATOM 1404 O ARG A 120 6.933 -12.217 -5.967 1.00 0.00 O ATOM 1405 CB ARG A 120 4.403 -10.148 -5.649 1.00 0.00 C ATOM 1406 CG ARG A 120 3.334 -10.416 -4.602 1.00 0.00 C ATOM 1407 CD ARG A 120 1.993 -9.826 -5.009 1.00 0.00 C ATOM 1408 NE ARG A 120 1.958 -8.376 -4.836 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.835 -7.662 -4.771 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.346 -8.260 -4.865 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.895 -6.347 -4.611 1.00 0.00 N ATOM 0 H ARG A 120 5.710 -8.173 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 120 5.813 -10.822 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.257 -9.148 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.278 -10.851 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.230 -11.491 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.644 -9.992 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.790 -10.072 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.201 -10.281 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 120 2.846 -7.880 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.397 -9.271 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.202 -7.708 -4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.800 -5.883 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.036 -5.800 -4.561 1.00 0.00 H new ATOM 1425 N GLU A 121 7.204 -10.296 -7.109 1.00 0.00 N ATOM 1426 CA GLU A 121 8.059 -10.894 -8.128 1.00 0.00 C ATOM 1427 C GLU A 121 9.507 -10.968 -7.651 1.00 0.00 C ATOM 1428 O GLU A 121 10.230 -11.911 -7.974 1.00 0.00 O ATOM 1429 CB GLU A 121 7.978 -10.089 -9.426 1.00 0.00 C ATOM 1430 CG GLU A 121 6.780 -10.448 -10.290 1.00 0.00 C ATOM 1431 CD GLU A 121 6.387 -9.330 -11.235 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.287 -8.597 -11.696 1.00 0.00 O ATOM 1433 OE2 GLU A 121 5.178 -9.186 -11.514 1.00 0.00 O ATOM 0 H GLU A 121 7.028 -9.300 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 121 7.705 -11.908 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.935 -9.027 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.891 -10.248 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.009 -11.344 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.933 -10.691 -9.648 1.00 0.00 H new ATOM 1440 N ALA A 122 9.925 -9.967 -6.882 1.00 0.00 N ATOM 1441 CA ALA A 122 11.287 -9.920 -6.362 1.00 0.00 C ATOM 1442 C ALA A 122 11.490 -10.952 -5.256 1.00 0.00 C ATOM 1443 O ALA A 122 12.342 -11.833 -5.365 1.00 0.00 O ATOM 1444 CB ALA A 122 11.607 -8.524 -5.849 1.00 0.00 C ATOM 0 H ALA A 122 9.340 -9.178 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 122 11.969 -10.162 -7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.626 -8.503 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.512 -7.806 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.912 -8.261 -5.051 1.00 0.00 H new ATOM 1450 N LEU A 123 10.699 -10.835 -4.193 1.00 0.00 N ATOM 1451 CA LEU A 123 10.786 -11.757 -3.065 1.00 0.00 C ATOM 1452 C LEU A 123 10.690 -13.206 -3.535 1.00 0.00 C ATOM 1453 O LEU A 123 11.449 -14.066 -3.088 1.00 0.00 O ATOM 1454 CB LEU A 123 9.676 -11.459 -2.051 1.00 0.00 C ATOM 1455 CG LEU A 123 10.153 -10.937 -0.694 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.149 -9.802 -0.873 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.968 -10.478 0.142 1.00 0.00 C ATOM 0 H LEU A 123 9.990 -10.110 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 123 11.755 -11.616 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.997 -10.726 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.100 -12.370 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 123 10.655 -11.751 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.475 -9.446 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 123 12.012 -10.160 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.675 -8.985 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.323 -10.109 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.441 -9.680 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.289 -11.316 0.302 1.00 0.00 H new ATOM 1469 N GLN A 124 9.752 -13.468 -4.440 1.00 0.00 N ATOM 1470 CA GLN A 124 9.557 -14.812 -4.973 1.00 0.00 C ATOM 1471 C GLN A 124 10.837 -15.331 -5.621 1.00 0.00 C ATOM 1472 O GLN A 124 11.151 -16.518 -5.534 1.00 0.00 O ATOM 1473 CB GLN A 124 8.416 -14.818 -5.993 1.00 0.00 C ATOM 1474 CG GLN A 124 7.054 -15.099 -5.381 1.00 0.00 C ATOM 1475 CD GLN A 124 5.972 -15.293 -6.426 1.00 0.00 C ATOM 1476 OE1 GLN A 124 4.934 -14.633 -6.392 1.00 0.00 O ATOM 1477 NE2 GLN A 124 6.211 -16.203 -7.363 1.00 0.00 N ATOM 0 H GLN A 124 9.115 -12.767 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 124 9.298 -15.471 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.386 -13.852 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.625 -15.569 -6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.117 -15.992 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.777 -14.273 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.086 -16.728 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.520 -16.377 -8.093 1.00 0.00 H new ATOM 1486 N HIS A 125 11.572 -14.433 -6.268 1.00 0.00 N ATOM 1487 CA HIS A 125 12.819 -14.800 -6.929 1.00 0.00 C ATOM 1488 C HIS A 125 13.926 -15.040 -5.908 1.00 0.00 C ATOM 1489 O HIS A 125 14.660 -16.025 -5.993 1.00 0.00 O ATOM 1490 CB HIS A 125 13.243 -13.705 -7.910 1.00 0.00 C ATOM 1491 CG HIS A 125 14.377 -14.107 -8.801 1.00 0.00 C ATOM 1492 ND1 HIS A 125 14.207 -14.470 -10.120 1.00 0.00 N ATOM 1493 CD2 HIS A 125 15.706 -14.202 -8.555 1.00 0.00 C ATOM 1494 CE1 HIS A 125 15.380 -14.772 -10.647 1.00 0.00 C ATOM 1495 NE2 HIS A 125 16.306 -14.617 -9.719 1.00 0.00 N ATOM 0 H HIS A 125 11.326 -13.446 -6.349 1.00 0.00 H new ATOM 0 HA HIS A 125 12.650 -15.726 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.387 -13.429 -8.526 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.530 -12.816 -7.348 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.201 -13.991 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 125 15.552 -15.091 -11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.305 -14.779 -9.846 1.00 0.00 H new ATOM 1504 N ALA A 126 14.040 -14.134 -4.942 1.00 0.00 N ATOM 1505 CA ALA A 126 15.056 -14.249 -3.903 1.00 0.00 C ATOM 1506 C ALA A 126 14.793 -15.457 -3.010 1.00 0.00 C ATOM 1507 O ALA A 126 15.725 -16.120 -2.555 1.00 0.00 O ATOM 1508 CB ALA A 126 15.106 -12.976 -3.071 1.00 0.00 C ATOM 0 H ALA A 126 13.441 -13.313 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 126 16.022 -14.392 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.869 -13.076 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.349 -12.130 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.136 -12.809 -2.603 1.00 0.00 H new ATOM 1514 N MET A 127 13.518 -15.737 -2.764 1.00 0.00 N ATOM 1515 CA MET A 127 13.131 -16.866 -1.926 1.00 0.00 C ATOM 1516 C MET A 127 13.638 -18.178 -2.514 1.00 0.00 C ATOM 1517 O MET A 127 14.245 -18.990 -1.816 1.00 0.00 O ATOM 1518 CB MET A 127 11.609 -16.917 -1.775 1.00 0.00 C ATOM 1519 CG MET A 127 11.148 -17.491 -0.445 1.00 0.00 C ATOM 1520 SD MET A 127 9.473 -18.154 -0.518 1.00 0.00 S ATOM 1521 CE MET A 127 8.512 -16.643 -0.559 1.00 0.00 C ATOM 0 H MET A 127 12.735 -15.198 -3.133 1.00 0.00 H new ATOM 0 HA MET A 127 13.583 -16.729 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.207 -15.910 -1.885 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.192 -17.517 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.834 -18.280 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.194 -16.713 0.317 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.466 -16.872 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.886 -15.953 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.598 -16.184 -1.544 1.00 0.00 H new ATOM 1531 N GLY A 128 13.383 -18.379 -3.803 1.00 0.00 N ATOM 1532 CA GLY A 128 13.819 -19.594 -4.466 1.00 0.00 C ATOM 1533 C GLY A 128 13.012 -19.897 -5.713 1.00 0.00 C ATOM 1534 O GLY A 128 12.633 -21.044 -5.952 1.00 0.00 O ATOM 0 H GLY A 128 12.882 -17.722 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.872 -19.501 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.738 -20.431 -3.773 1.00 0.00 H new ATOM 1538 N ILE A 129 12.747 -18.866 -6.509 1.00 0.00 N ATOM 1539 CA ILE A 129 11.979 -19.027 -7.738 1.00 0.00 C ATOM 1540 C ILE A 129 12.657 -18.320 -8.906 1.00 0.00 C ATOM 1541 O ILE A 129 13.467 -17.415 -8.711 1.00 0.00 O ATOM 1542 CB ILE A 129 10.547 -18.480 -7.581 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.901 -19.035 -6.311 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.710 -18.827 -8.803 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.576 -18.387 -5.973 1.00 0.00 C ATOM 0 H ILE A 129 13.053 -17.911 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 129 11.930 -20.096 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 129 10.597 -17.395 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.752 -20.108 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.587 -18.898 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.701 -18.434 -8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.163 -18.386 -9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.665 -19.910 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.176 -18.830 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.722 -17.317 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.874 -18.546 -6.791 1.00 0.00 H new ATOM 1557 N HIS A 130 12.319 -18.739 -10.121 1.00 0.00 N ATOM 1558 CA HIS A 130 12.895 -18.145 -11.322 1.00 0.00 C ATOM 1559 C HIS A 130 11.849 -17.342 -12.088 1.00 0.00 C ATOM 1560 O HIS A 130 10.766 -17.842 -12.391 1.00 0.00 O ATOM 1561 CB HIS A 130 13.481 -19.233 -12.224 1.00 0.00 C ATOM 1562 CG HIS A 130 14.657 -18.773 -13.028 1.00 0.00 C ATOM 1563 ND1 HIS A 130 14.695 -18.826 -14.406 1.00 0.00 N ATOM 1564 CD2 HIS A 130 15.845 -18.249 -12.641 1.00 0.00 C ATOM 1565 CE1 HIS A 130 15.854 -18.355 -14.831 1.00 0.00 C ATOM 1566 NE2 HIS A 130 16.569 -17.998 -13.781 1.00 0.00 N ATOM 0 H HIS A 130 11.649 -19.487 -10.300 1.00 0.00 H new ATOM 0 HA HIS A 130 13.693 -17.468 -11.015 1.00 0.00 H new ATOM 0 HB2 HIS A 130 13.781 -20.081 -11.609 1.00 0.00 H new ATOM 0 HB3 HIS A 130 12.705 -19.589 -12.901 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.163 -18.063 -11.626 1.00 0.00 H new ATOM 0 HE1 HIS A 130 16.164 -18.276 -15.863 1.00 0.00 H new ATOM 0 HE2 HIS A 130 17.508 -17.600 -13.811 1.00 0.00 H new ATOM 1575 N ALA A 131 12.182 -16.094 -12.397 1.00 0.00 N ATOM 1576 CA ALA A 131 11.274 -15.218 -13.128 1.00 0.00 C ATOM 1577 C ALA A 131 11.129 -15.664 -14.579 1.00 0.00 C ATOM 1578 O ALA A 131 12.018 -16.313 -15.131 1.00 0.00 O ATOM 1579 CB ALA A 131 11.763 -13.779 -13.063 1.00 0.00 C ATOM 0 H ALA A 131 13.075 -15.666 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 131 10.293 -15.279 -12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 131 11.076 -13.136 -13.613 1.00 0.00 H new ATOM 0 HB2 ALA A 131 11.808 -13.457 -12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 131 12.756 -13.712 -13.507 1.00 0.00 H new ATOM 1585 N ASP A 132 10.004 -15.311 -15.192 1.00 0.00 N ATOM 1586 CA ASP A 132 9.743 -15.674 -16.579 1.00 0.00 C ATOM 1587 C ASP A 132 8.866 -14.626 -17.257 1.00 0.00 C ATOM 1588 O ASP A 132 7.657 -14.810 -17.398 1.00 0.00 O ATOM 1589 CB ASP A 132 9.068 -17.045 -16.652 1.00 0.00 C ATOM 1590 CG ASP A 132 9.980 -18.163 -16.185 1.00 0.00 C ATOM 1591 OD1 ASP A 132 10.770 -18.668 -17.010 1.00 0.00 O ATOM 1592 OD2 ASP A 132 9.903 -18.533 -14.994 1.00 0.00 O ATOM 0 H ASP A 132 9.258 -14.774 -14.749 1.00 0.00 H new ATOM 0 HA ASP A 132 10.698 -15.720 -17.103 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.166 -17.036 -16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.755 -17.239 -17.678 1.00 0.00 H new ATOM 1597 N ILE A 133 9.485 -13.526 -17.674 1.00 0.00 N ATOM 1598 CA ILE A 133 8.764 -12.445 -18.340 1.00 0.00 C ATOM 1599 C ILE A 133 7.870 -11.697 -17.357 1.00 0.00 C ATOM 1600 O ILE A 133 7.955 -10.452 -17.310 1.00 0.00 O ATOM 1601 CB ILE A 133 7.899 -12.966 -19.507 1.00 0.00 C ATOM 1602 CG1 ILE A 133 8.614 -14.103 -20.245 1.00 0.00 C ATOM 1603 CG2 ILE A 133 7.565 -11.832 -20.465 1.00 0.00 C ATOM 1604 CD1 ILE A 133 7.944 -15.448 -20.073 1.00 0.00 C ATOM 0 H ILE A 133 10.485 -13.359 -17.563 1.00 0.00 H new ATOM 0 HA ILE A 133 9.518 -11.766 -18.738 1.00 0.00 H new ATOM 0 HB ILE A 133 6.968 -13.359 -19.098 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.662 -13.863 -21.307 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.641 -14.169 -19.887 1.00 0.00 H new ATOM 0 HG21 ILE A 133 6.955 -12.215 -21.283 1.00 0.00 H new ATOM 0 HG22 ILE A 133 7.014 -11.057 -19.933 1.00 0.00 H new ATOM 0 HG23 ILE A 133 8.487 -11.411 -20.866 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.503 -16.206 -20.622 1.00 0.00 H new ATOM 0 HD12 ILE A 133 7.920 -15.710 -19.015 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.925 -15.399 -20.458 1.00 0.00 H new TER 1616 ILE A 133