USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 899 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 69 ASN : amide:sc= -0.366 K(o=-1.2,f=-6.8!) USER MOD Set 1.2: A 91 MET CE :methyl -133:sc= -0.808 (180deg=-0.0773) USER MOD Set 2.1: A 44 CYS SG : rot 71:sc= -0.405 USER MOD Set 2.2: A 68 ASN : amide:sc= -3.11! C(o=-3.5!,f=-6!) USER MOD Set 3.1: A 25 TYR OH : rot -114:sc= 0.164 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -1.24 K(o=-1.1,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.00333) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -11:sc= 0.173 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -151:sc= 0.584 USER MOD Single : A 19 GLN : amide:sc= 0.00339 X(o=0.0034,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.361 K(o=-0.36,f=-0.9) USER MOD Single : A 22 THR OG1 : rot -90:sc= 1.17 USER MOD Single : A 29 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 31 THR OG1 : rot 82:sc= 0.224 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 100:sc= -0.679 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -2.39 (180deg=-3.98!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 33:sc= 0.178 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.871 F(o=-1.8!,f=-0.87) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.014) USER MOD Single : A 70 GLN : amide:sc= -0.0535 X(o=-0.053,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -171:sc=-0.00545 (180deg=-0.151) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -103:sc= 0.415 USER MOD Single : A 107 THR OG1 : rot 73:sc= 0.955 USER MOD Single : A 108 GLN : amide:sc= -6.82! C(o=-6.8!,f=-6.6!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -137:sc= 0 (180deg=-0.0844) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 0.341 (180deg=0.288) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.143 -17.806 -3.539 1.00 0.00 N ATOM 2 CA GLY A 1 15.885 -17.805 -4.786 1.00 0.00 C ATOM 3 C GLY A 1 17.320 -17.352 -4.607 1.00 0.00 C ATOM 4 O GLY A 1 17.584 -16.163 -4.425 1.00 0.00 O ATOM 0 H1 GLY A 1 14.164 -18.107 -3.718 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.590 -18.464 -2.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.142 -16.848 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.875 -18.808 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.387 -17.150 -5.501 1.00 0.00 H new ATOM 8 N SER A 2 18.249 -18.301 -4.656 1.00 0.00 N ATOM 9 CA SER A 2 19.665 -17.993 -4.492 1.00 0.00 C ATOM 10 C SER A 2 20.261 -17.466 -5.795 1.00 0.00 C ATOM 11 O SER A 2 19.788 -17.793 -6.883 1.00 0.00 O ATOM 12 CB SER A 2 20.430 -19.237 -4.035 1.00 0.00 C ATOM 13 OG SER A 2 21.811 -18.960 -3.884 1.00 0.00 O ATOM 0 H SER A 2 18.047 -19.289 -4.808 1.00 0.00 H new ATOM 0 HA SER A 2 19.757 -17.218 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.022 -19.592 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.294 -20.038 -4.761 1.00 0.00 H new ATOM 0 HG SER A 2 22.277 -19.770 -3.590 1.00 0.00 H new ATOM 19 N SER A 3 21.302 -16.649 -5.673 1.00 0.00 N ATOM 20 CA SER A 3 21.961 -16.073 -6.840 1.00 0.00 C ATOM 21 C SER A 3 21.980 -17.065 -7.999 1.00 0.00 C ATOM 22 O SER A 3 22.392 -18.213 -7.841 1.00 0.00 O ATOM 23 CB SER A 3 23.391 -15.654 -6.489 1.00 0.00 C ATOM 24 OG SER A 3 23.399 -14.461 -5.725 1.00 0.00 O ATOM 0 H SER A 3 21.707 -16.371 -4.779 1.00 0.00 H new ATOM 0 HA SER A 3 21.396 -15.193 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.880 -16.451 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.966 -15.508 -7.404 1.00 0.00 H new ATOM 0 HG SER A 3 24.323 -14.215 -5.512 1.00 0.00 H new ATOM 30 N GLY A 4 21.530 -16.612 -9.165 1.00 0.00 N ATOM 31 CA GLY A 4 21.502 -17.471 -10.334 1.00 0.00 C ATOM 32 C GLY A 4 20.122 -17.563 -10.954 1.00 0.00 C ATOM 33 O GLY A 4 19.980 -17.540 -12.176 1.00 0.00 O ATOM 0 H GLY A 4 21.184 -15.665 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.205 -17.093 -11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.839 -18.469 -10.055 1.00 0.00 H new ATOM 37 N SER A 5 19.102 -17.670 -10.108 1.00 0.00 N ATOM 38 CA SER A 5 17.726 -17.771 -10.580 1.00 0.00 C ATOM 39 C SER A 5 17.438 -16.720 -11.648 1.00 0.00 C ATOM 40 O SER A 5 17.730 -15.538 -11.465 1.00 0.00 O ATOM 41 CB SER A 5 16.750 -17.609 -9.413 1.00 0.00 C ATOM 42 OG SER A 5 16.584 -18.830 -8.714 1.00 0.00 O ATOM 0 H SER A 5 19.203 -17.689 -9.093 1.00 0.00 H new ATOM 0 HA SER A 5 17.592 -18.758 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.118 -16.843 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.785 -17.266 -9.787 1.00 0.00 H new ATOM 0 HG SER A 5 15.957 -18.700 -7.972 1.00 0.00 H new ATOM 48 N SER A 6 16.865 -17.160 -12.763 1.00 0.00 N ATOM 49 CA SER A 6 16.541 -16.259 -13.863 1.00 0.00 C ATOM 50 C SER A 6 15.284 -15.451 -13.551 1.00 0.00 C ATOM 51 O SER A 6 14.584 -15.722 -12.577 1.00 0.00 O ATOM 52 CB SER A 6 16.344 -17.050 -15.158 1.00 0.00 C ATOM 53 OG SER A 6 15.142 -17.799 -15.120 1.00 0.00 O ATOM 0 H SER A 6 16.615 -18.135 -12.929 1.00 0.00 H new ATOM 0 HA SER A 6 17.374 -15.568 -13.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.323 -16.366 -16.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.190 -17.721 -15.310 1.00 0.00 H new ATOM 0 HG SER A 6 15.038 -18.294 -15.959 1.00 0.00 H new ATOM 59 N GLY A 7 15.006 -14.456 -14.388 1.00 0.00 N ATOM 60 CA GLY A 7 13.835 -13.623 -14.186 1.00 0.00 C ATOM 61 C GLY A 7 12.637 -14.414 -13.698 1.00 0.00 C ATOM 62 O GLY A 7 12.254 -15.413 -14.307 1.00 0.00 O ATOM 0 H GLY A 7 15.570 -14.212 -15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.069 -12.842 -13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.581 -13.126 -15.122 1.00 0.00 H new ATOM 66 N VAL A 8 12.045 -13.969 -12.595 1.00 0.00 N ATOM 67 CA VAL A 8 10.884 -14.643 -12.025 1.00 0.00 C ATOM 68 C VAL A 8 9.941 -13.646 -11.360 1.00 0.00 C ATOM 69 O VAL A 8 10.377 -12.755 -10.632 1.00 0.00 O ATOM 70 CB VAL A 8 11.303 -15.705 -10.991 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.161 -15.080 -9.901 1.00 0.00 C ATOM 72 CG2 VAL A 8 10.078 -16.380 -10.394 1.00 0.00 C ATOM 0 H VAL A 8 12.350 -13.144 -12.078 1.00 0.00 H new ATOM 0 HA VAL A 8 10.367 -15.134 -12.849 1.00 0.00 H new ATOM 0 HB VAL A 8 11.898 -16.465 -11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.447 -15.845 -9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.057 -14.648 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.594 -14.299 -9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.393 -17.127 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.455 -15.633 -9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.507 -16.864 -11.186 1.00 0.00 H new ATOM 82 N ALA A 9 8.647 -13.804 -11.615 1.00 0.00 N ATOM 83 CA ALA A 9 7.641 -12.919 -11.040 1.00 0.00 C ATOM 84 C ALA A 9 7.851 -12.754 -9.538 1.00 0.00 C ATOM 85 O ALA A 9 7.832 -11.638 -9.019 1.00 0.00 O ATOM 86 CB ALA A 9 6.245 -13.452 -11.324 1.00 0.00 C ATOM 0 H ALA A 9 8.270 -14.537 -12.216 1.00 0.00 H new ATOM 0 HA ALA A 9 7.745 -11.939 -11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.504 -12.781 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.091 -13.513 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.138 -14.444 -10.886 1.00 0.00 H new ATOM 92 N ARG A 10 8.049 -13.871 -8.847 1.00 0.00 N ATOM 93 CA ARG A 10 8.260 -13.850 -7.404 1.00 0.00 C ATOM 94 C ARG A 10 9.166 -12.689 -7.005 1.00 0.00 C ATOM 95 O ARG A 10 10.169 -12.416 -7.664 1.00 0.00 O ATOM 96 CB ARG A 10 8.871 -15.172 -6.937 1.00 0.00 C ATOM 97 CG ARG A 10 8.522 -15.531 -5.502 1.00 0.00 C ATOM 98 CD ARG A 10 9.500 -14.907 -4.518 1.00 0.00 C ATOM 99 NE ARG A 10 10.876 -15.322 -4.777 1.00 0.00 N ATOM 100 CZ ARG A 10 11.876 -15.121 -3.926 1.00 0.00 C ATOM 101 NH1 ARG A 10 11.655 -14.516 -2.768 1.00 0.00 N ATOM 102 NH2 ARG A 10 13.101 -15.528 -4.234 1.00 0.00 N ATOM 0 H ARG A 10 8.068 -14.802 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 10 7.292 -13.716 -6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.532 -15.972 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.955 -15.116 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.511 -15.192 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.528 -16.615 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.431 -13.821 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.222 -15.188 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 10 11.080 -15.792 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.715 -14.203 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.425 -14.363 -2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.275 -15.995 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.869 -15.374 -3.581 1.00 0.00 H new ATOM 116 N SER A 11 8.805 -12.009 -5.921 1.00 0.00 N ATOM 117 CA SER A 11 9.582 -10.875 -5.436 1.00 0.00 C ATOM 118 C SER A 11 9.595 -9.746 -6.462 1.00 0.00 C ATOM 119 O SER A 11 10.656 -9.259 -6.853 1.00 0.00 O ATOM 120 CB SER A 11 11.015 -11.309 -5.121 1.00 0.00 C ATOM 121 OG SER A 11 11.124 -11.778 -3.788 1.00 0.00 O ATOM 0 H SER A 11 7.979 -12.224 -5.362 1.00 0.00 H new ATOM 0 HA SER A 11 9.112 -10.508 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.321 -12.094 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.694 -10.470 -5.271 1.00 0.00 H new ATOM 0 HG SER A 11 12.049 -12.051 -3.612 1.00 0.00 H new ATOM 127 N SER A 12 8.408 -9.335 -6.895 1.00 0.00 N ATOM 128 CA SER A 12 8.281 -8.266 -7.879 1.00 0.00 C ATOM 129 C SER A 12 9.032 -7.018 -7.426 1.00 0.00 C ATOM 130 O SER A 12 9.144 -6.746 -6.230 1.00 0.00 O ATOM 131 CB SER A 12 6.806 -7.931 -8.112 1.00 0.00 C ATOM 132 OG SER A 12 6.070 -9.089 -8.465 1.00 0.00 O ATOM 0 H SER A 12 7.520 -9.726 -6.580 1.00 0.00 H new ATOM 0 HA SER A 12 8.720 -8.613 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.383 -7.489 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.720 -7.186 -8.903 1.00 0.00 H new ATOM 0 HG SER A 12 6.689 -9.825 -8.653 1.00 0.00 H new ATOM 138 N LYS A 13 9.546 -6.262 -8.390 1.00 0.00 N ATOM 139 CA LYS A 13 10.287 -5.041 -8.093 1.00 0.00 C ATOM 140 C LYS A 13 9.514 -4.160 -7.116 1.00 0.00 C ATOM 141 O LYS A 13 10.055 -3.718 -6.102 1.00 0.00 O ATOM 142 CB LYS A 13 10.570 -4.266 -9.382 1.00 0.00 C ATOM 143 CG LYS A 13 11.885 -4.642 -10.041 1.00 0.00 C ATOM 144 CD LYS A 13 11.848 -6.057 -10.593 1.00 0.00 C ATOM 145 CE LYS A 13 11.318 -6.086 -12.018 1.00 0.00 C ATOM 146 NZ LYS A 13 11.348 -7.459 -12.594 1.00 0.00 N ATOM 0 H LYS A 13 9.463 -6.473 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 13 11.233 -5.322 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.757 -4.440 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.576 -3.199 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.102 -3.942 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.694 -4.554 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.850 -6.485 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.219 -6.680 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.296 -5.708 -12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.913 -5.418 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.979 -7.436 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.327 -7.810 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.759 -8.091 -12.015 1.00 0.00 H new ATOM 160 N LEU A 14 8.247 -3.910 -7.428 1.00 0.00 N ATOM 161 CA LEU A 14 7.399 -3.083 -6.576 1.00 0.00 C ATOM 162 C LEU A 14 7.326 -3.652 -5.163 1.00 0.00 C ATOM 163 O LEU A 14 7.558 -2.943 -4.183 1.00 0.00 O ATOM 164 CB LEU A 14 5.993 -2.978 -7.170 1.00 0.00 C ATOM 165 CG LEU A 14 4.992 -2.135 -6.380 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.373 -0.664 -6.435 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.582 -2.343 -6.913 1.00 0.00 C ATOM 0 H LEU A 14 7.784 -4.268 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 14 7.840 -2.087 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.075 -2.562 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.588 -3.985 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 14 5.016 -2.457 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.649 -0.079 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.366 -0.529 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.378 -0.328 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.883 -1.735 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.542 -2.049 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.310 -3.394 -6.821 1.00 0.00 H new ATOM 179 N LEU A 15 7.003 -4.937 -5.065 1.00 0.00 N ATOM 180 CA LEU A 15 6.902 -5.604 -3.771 1.00 0.00 C ATOM 181 C LEU A 15 8.094 -5.258 -2.885 1.00 0.00 C ATOM 182 O LEU A 15 7.935 -4.678 -1.812 1.00 0.00 O ATOM 183 CB LEU A 15 6.816 -7.119 -3.962 1.00 0.00 C ATOM 184 CG LEU A 15 6.903 -7.962 -2.689 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.642 -7.799 -1.854 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.132 -9.426 -3.033 1.00 0.00 C ATOM 0 H LEU A 15 6.807 -5.538 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 15 5.994 -5.254 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.876 -7.349 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.618 -7.427 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 15 7.751 -7.611 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.722 -8.406 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.522 -6.752 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.777 -8.122 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.191 -10.011 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.305 -9.790 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.064 -9.528 -3.589 1.00 0.00 H new ATOM 198 N GLY A 16 9.289 -5.617 -3.343 1.00 0.00 N ATOM 199 CA GLY A 16 10.491 -5.335 -2.581 1.00 0.00 C ATOM 200 C GLY A 16 10.431 -3.993 -1.879 1.00 0.00 C ATOM 201 O GLY A 16 10.538 -3.920 -0.655 1.00 0.00 O ATOM 0 H GLY A 16 9.446 -6.098 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.642 -6.122 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.353 -5.355 -3.248 1.00 0.00 H new ATOM 205 N TRP A 17 10.260 -2.929 -2.655 1.00 0.00 N ATOM 206 CA TRP A 17 10.187 -1.582 -2.100 1.00 0.00 C ATOM 207 C TRP A 17 9.286 -1.548 -0.870 1.00 0.00 C ATOM 208 O TRP A 17 9.701 -1.106 0.202 1.00 0.00 O ATOM 209 CB TRP A 17 9.671 -0.601 -3.153 1.00 0.00 C ATOM 210 CG TRP A 17 9.718 0.829 -2.707 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.818 1.638 -2.663 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.619 1.619 -2.241 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.469 2.882 -2.197 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.125 2.897 -1.932 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.256 1.372 -2.057 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.315 3.921 -1.449 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.453 2.389 -1.577 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.984 3.651 -1.278 1.00 0.00 C ATOM 0 H TRP A 17 10.169 -2.973 -3.670 1.00 0.00 H new ATOM 0 HA TRP A 17 11.192 -1.285 -1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.263 -0.710 -4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.644 -0.861 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.816 1.343 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.107 3.667 -2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.837 0.403 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.722 4.894 -1.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.398 2.208 -1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.330 4.426 -0.905 1.00 0.00 H new ATOM 229 N CYS A 18 8.054 -2.017 -1.032 1.00 0.00 N ATOM 230 CA CYS A 18 7.094 -2.039 0.066 1.00 0.00 C ATOM 231 C CYS A 18 7.618 -2.875 1.229 1.00 0.00 C ATOM 232 O CYS A 18 7.408 -2.536 2.393 1.00 0.00 O ATOM 233 CB CYS A 18 5.752 -2.594 -0.413 1.00 0.00 C ATOM 234 SG CYS A 18 5.040 -1.698 -1.813 1.00 0.00 S ATOM 0 H CYS A 18 7.696 -2.387 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 18 6.952 -1.015 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.882 -3.639 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.045 -2.572 0.416 1.00 0.00 H new ATOM 0 HG CYS A 18 3.743 -1.779 -1.766 1.00 0.00 H new ATOM 240 N GLN A 19 8.300 -3.969 0.905 1.00 0.00 N ATOM 241 CA GLN A 19 8.851 -4.855 1.924 1.00 0.00 C ATOM 242 C GLN A 19 9.896 -4.131 2.766 1.00 0.00 C ATOM 243 O GLN A 19 10.088 -4.447 3.940 1.00 0.00 O ATOM 244 CB GLN A 19 9.472 -6.092 1.272 1.00 0.00 C ATOM 245 CG GLN A 19 8.449 -7.030 0.651 1.00 0.00 C ATOM 246 CD GLN A 19 8.898 -8.478 0.671 1.00 0.00 C ATOM 247 OE1 GLN A 19 10.076 -8.778 0.478 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.957 -9.385 0.906 1.00 0.00 N ATOM 0 H GLN A 19 8.484 -4.263 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 19 8.037 -5.168 2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.175 -5.773 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.046 -6.638 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.505 -6.939 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.261 -6.726 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.993 -9.091 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.199 -10.376 0.932 1.00 0.00 H new ATOM 257 N ARG A 20 10.569 -3.159 2.159 1.00 0.00 N ATOM 258 CA ARG A 20 11.596 -2.392 2.853 1.00 0.00 C ATOM 259 C ARG A 20 10.989 -1.180 3.553 1.00 0.00 C ATOM 260 O ARG A 20 11.365 -0.848 4.677 1.00 0.00 O ATOM 261 CB ARG A 20 12.676 -1.937 1.869 1.00 0.00 C ATOM 262 CG ARG A 20 13.493 -3.081 1.290 1.00 0.00 C ATOM 263 CD ARG A 20 14.663 -2.569 0.466 1.00 0.00 C ATOM 264 NE ARG A 20 15.806 -2.210 1.302 1.00 0.00 N ATOM 265 CZ ARG A 20 15.987 -1.001 1.819 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.105 -0.038 1.588 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.052 -0.752 2.570 1.00 0.00 N ATOM 0 H ARG A 20 10.421 -2.884 1.188 1.00 0.00 H new ATOM 0 HA ARG A 20 12.048 -3.037 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.205 -1.389 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.347 -1.242 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.864 -3.710 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.854 -3.707 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.964 -3.333 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.348 -1.699 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 20 16.503 -2.928 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.285 -0.225 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.247 0.890 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.733 -1.490 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.190 0.177 2.967 1.00 0.00 H new ATOM 281 N GLN A 21 10.049 -0.524 2.881 1.00 0.00 N ATOM 282 CA GLN A 21 9.391 0.652 3.438 1.00 0.00 C ATOM 283 C GLN A 21 8.468 0.265 4.589 1.00 0.00 C ATOM 284 O GLN A 21 8.571 0.804 5.691 1.00 0.00 O ATOM 285 CB GLN A 21 8.596 1.380 2.354 1.00 0.00 C ATOM 286 CG GLN A 21 9.451 1.864 1.194 1.00 0.00 C ATOM 287 CD GLN A 21 10.857 2.236 1.621 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.050 3.080 2.497 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.850 1.607 1.003 1.00 0.00 N ATOM 0 H GLN A 21 9.726 -0.787 1.950 1.00 0.00 H new ATOM 0 HA GLN A 21 10.162 1.320 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.824 0.713 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.087 2.234 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.501 1.084 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.975 2.729 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.645 0.914 0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.818 1.816 1.249 1.00 0.00 H new ATOM 298 N THR A 22 7.563 -0.674 4.325 1.00 0.00 N ATOM 299 CA THR A 22 6.621 -1.132 5.337 1.00 0.00 C ATOM 300 C THR A 22 7.348 -1.739 6.532 1.00 0.00 C ATOM 301 O THR A 22 6.793 -1.830 7.627 1.00 0.00 O ATOM 302 CB THR A 22 5.643 -2.175 4.763 1.00 0.00 C ATOM 303 OG1 THR A 22 6.343 -3.386 4.457 1.00 0.00 O ATOM 304 CG2 THR A 22 4.962 -1.646 3.510 1.00 0.00 C ATOM 0 H THR A 22 7.464 -1.131 3.419 1.00 0.00 H new ATOM 0 HA THR A 22 6.059 -0.257 5.663 1.00 0.00 H new ATOM 0 HB THR A 22 4.879 -2.377 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.672 -3.350 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.276 -2.400 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.406 -0.740 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.715 -1.418 2.755 1.00 0.00 H new ATOM 312 N ASP A 23 8.592 -2.151 6.314 1.00 0.00 N ATOM 313 CA ASP A 23 9.397 -2.747 7.374 1.00 0.00 C ATOM 314 C ASP A 23 9.383 -1.872 8.624 1.00 0.00 C ATOM 315 O ASP A 23 9.640 -0.671 8.556 1.00 0.00 O ATOM 316 CB ASP A 23 10.835 -2.954 6.897 1.00 0.00 C ATOM 317 CG ASP A 23 11.682 -3.690 7.916 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.393 -4.875 8.182 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.635 -3.081 8.447 1.00 0.00 O ATOM 0 H ASP A 23 9.065 -2.083 5.413 1.00 0.00 H new ATOM 0 HA ASP A 23 8.963 -3.715 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.828 -3.514 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.287 -1.985 6.684 1.00 0.00 H new ATOM 324 N GLY A 24 9.080 -2.484 9.765 1.00 0.00 N ATOM 325 CA GLY A 24 9.037 -1.745 11.014 1.00 0.00 C ATOM 326 C GLY A 24 7.665 -1.774 11.658 1.00 0.00 C ATOM 327 O GLY A 24 7.547 -1.864 12.880 1.00 0.00 O ATOM 0 H GLY A 24 8.864 -3.477 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.768 -2.163 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.327 -0.710 10.831 1.00 0.00 H new ATOM 331 N TYR A 25 6.626 -1.696 10.835 1.00 0.00 N ATOM 332 CA TYR A 25 5.255 -1.709 11.331 1.00 0.00 C ATOM 333 C TYR A 25 4.956 -3.009 12.071 1.00 0.00 C ATOM 334 O TYR A 25 5.818 -3.878 12.194 1.00 0.00 O ATOM 335 CB TYR A 25 4.270 -1.529 10.175 1.00 0.00 C ATOM 336 CG TYR A 25 4.108 -0.091 9.736 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.085 0.538 8.975 1.00 0.00 C ATOM 338 CD2 TYR A 25 2.976 0.638 10.082 1.00 0.00 C ATOM 339 CE1 TYR A 25 4.941 1.852 8.572 1.00 0.00 C ATOM 340 CE2 TYR A 25 2.823 1.952 9.683 1.00 0.00 C ATOM 341 CZ TYR A 25 3.808 2.554 8.929 1.00 0.00 C ATOM 342 OH TYR A 25 3.661 3.862 8.528 1.00 0.00 O ATOM 0 H TYR A 25 6.707 -1.623 9.821 1.00 0.00 H new ATOM 0 HA TYR A 25 5.140 -0.880 12.029 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.607 -2.124 9.326 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.298 -1.921 10.473 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.972 -0.009 8.693 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.203 0.169 10.673 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.711 2.327 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.937 2.504 9.960 1.00 0.00 H new ATOM 0 HH TYR A 25 3.673 4.448 9.313 1.00 0.00 H new ATOM 352 N ALA A 26 3.727 -3.134 12.562 1.00 0.00 N ATOM 353 CA ALA A 26 3.312 -4.328 13.287 1.00 0.00 C ATOM 354 C ALA A 26 2.128 -5.002 12.603 1.00 0.00 C ATOM 355 O ALA A 26 1.116 -4.363 12.320 1.00 0.00 O ATOM 356 CB ALA A 26 2.963 -3.977 14.726 1.00 0.00 C ATOM 0 H ALA A 26 3.002 -2.423 12.471 1.00 0.00 H new ATOM 0 HA ALA A 26 4.145 -5.030 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.655 -4.878 15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.836 -3.548 15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.148 -3.253 14.737 1.00 0.00 H new ATOM 362 N GLY A 27 2.262 -6.298 12.338 1.00 0.00 N ATOM 363 CA GLY A 27 1.196 -7.037 11.688 1.00 0.00 C ATOM 364 C GLY A 27 1.287 -6.977 10.176 1.00 0.00 C ATOM 365 O GLY A 27 0.926 -7.931 9.487 1.00 0.00 O ATOM 0 H GLY A 27 3.090 -6.849 12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.231 -8.078 12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.234 -6.637 12.007 1.00 0.00 H new ATOM 369 N VAL A 28 1.768 -5.851 9.658 1.00 0.00 N ATOM 370 CA VAL A 28 1.904 -5.669 8.218 1.00 0.00 C ATOM 371 C VAL A 28 2.625 -6.852 7.581 1.00 0.00 C ATOM 372 O VAL A 28 2.028 -7.626 6.834 1.00 0.00 O ATOM 373 CB VAL A 28 2.671 -4.375 7.886 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.839 -4.225 6.382 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.958 -3.168 8.474 1.00 0.00 C ATOM 0 H VAL A 28 2.070 -5.051 10.214 1.00 0.00 H new ATOM 0 HA VAL A 28 0.895 -5.599 7.811 1.00 0.00 H new ATOM 0 HB VAL A 28 3.663 -4.436 8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.383 -3.305 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.397 -5.076 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.858 -4.186 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.514 -2.263 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.953 -3.100 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.895 -3.274 9.557 1.00 0.00 H new ATOM 385 N ASN A 29 3.913 -6.986 7.882 1.00 0.00 N ATOM 386 CA ASN A 29 4.716 -8.075 7.338 1.00 0.00 C ATOM 387 C ASN A 29 4.280 -8.415 5.916 1.00 0.00 C ATOM 388 O ASN A 29 3.988 -9.569 5.604 1.00 0.00 O ATOM 389 CB ASN A 29 4.602 -9.314 8.229 1.00 0.00 C ATOM 390 CG ASN A 29 5.753 -10.280 8.024 1.00 0.00 C ATOM 391 OD1 ASN A 29 6.863 -10.052 8.504 1.00 0.00 O ATOM 392 ND2 ASN A 29 5.491 -11.367 7.307 1.00 0.00 N ATOM 0 H ASN A 29 4.423 -6.354 8.500 1.00 0.00 H new ATOM 0 HA ASN A 29 5.756 -7.749 7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.572 -9.005 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.662 -9.824 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.225 -12.054 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.556 -11.515 6.928 1.00 0.00 H new ATOM 399 N VAL A 30 4.238 -7.401 5.058 1.00 0.00 N ATOM 400 CA VAL A 30 3.840 -7.592 3.668 1.00 0.00 C ATOM 401 C VAL A 30 4.381 -8.906 3.117 1.00 0.00 C ATOM 402 O VAL A 30 5.592 -9.080 2.970 1.00 0.00 O ATOM 403 CB VAL A 30 4.331 -6.434 2.779 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.083 -6.746 1.311 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.653 -5.132 3.178 1.00 0.00 C ATOM 0 H VAL A 30 4.475 -6.439 5.301 1.00 0.00 H new ATOM 0 HA VAL A 30 2.750 -7.616 3.651 1.00 0.00 H new ATOM 0 HB VAL A 30 5.405 -6.317 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.436 -5.917 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.619 -7.654 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.015 -6.891 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.012 -4.325 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.574 -5.234 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.887 -4.904 4.218 1.00 0.00 H new ATOM 415 N THR A 31 3.477 -9.832 2.812 1.00 0.00 N ATOM 416 CA THR A 31 3.863 -11.131 2.277 1.00 0.00 C ATOM 417 C THR A 31 3.398 -11.292 0.834 1.00 0.00 C ATOM 418 O THR A 31 3.980 -12.058 0.067 1.00 0.00 O ATOM 419 CB THR A 31 3.283 -12.281 3.122 1.00 0.00 C ATOM 420 OG1 THR A 31 1.852 -12.254 3.071 1.00 0.00 O ATOM 421 CG2 THR A 31 3.746 -12.177 4.568 1.00 0.00 C ATOM 0 H THR A 31 2.471 -9.706 2.927 1.00 0.00 H new ATOM 0 HA THR A 31 4.951 -11.176 2.312 1.00 0.00 H new ATOM 0 HB THR A 31 3.643 -13.223 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.546 -12.689 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.324 -13.000 5.145 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.834 -12.228 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.412 -11.229 4.990 1.00 0.00 H new ATOM 429 N ASP A 32 2.347 -10.565 0.472 1.00 0.00 N ATOM 430 CA ASP A 32 1.805 -10.626 -0.881 1.00 0.00 C ATOM 431 C ASP A 32 1.238 -9.273 -1.301 1.00 0.00 C ATOM 432 O ASP A 32 1.060 -8.379 -0.472 1.00 0.00 O ATOM 433 CB ASP A 32 0.719 -11.698 -0.970 1.00 0.00 C ATOM 434 CG ASP A 32 1.178 -13.035 -0.422 1.00 0.00 C ATOM 435 OD1 ASP A 32 2.160 -13.591 -0.958 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.556 -13.525 0.544 1.00 0.00 O ATOM 0 H ASP A 32 1.853 -9.927 1.096 1.00 0.00 H new ATOM 0 HA ASP A 32 2.617 -10.886 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.161 -11.366 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.417 -11.819 -2.010 1.00 0.00 H new ATOM 441 N LEU A 33 0.958 -9.130 -2.591 1.00 0.00 N ATOM 442 CA LEU A 33 0.412 -7.885 -3.122 1.00 0.00 C ATOM 443 C LEU A 33 -1.068 -8.041 -3.460 1.00 0.00 C ATOM 444 O LEU A 33 -1.558 -7.461 -4.430 1.00 0.00 O ATOM 445 CB LEU A 33 1.189 -7.454 -4.366 1.00 0.00 C ATOM 446 CG LEU A 33 2.713 -7.454 -4.239 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.362 -7.238 -5.598 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.166 -6.386 -3.254 1.00 0.00 C ATOM 0 H LEU A 33 1.100 -9.860 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 33 0.512 -7.116 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.913 -8.113 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.867 -6.449 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 33 3.027 -8.426 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.446 -7.241 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.064 -8.039 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.041 -6.279 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.253 -6.400 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.840 -5.406 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.730 -6.585 -2.275 1.00 0.00 H new ATOM 460 N THR A 34 -1.775 -8.826 -2.654 1.00 0.00 N ATOM 461 CA THR A 34 -3.198 -9.057 -2.867 1.00 0.00 C ATOM 462 C THR A 34 -3.976 -8.939 -1.561 1.00 0.00 C ATOM 463 O THR A 34 -4.667 -7.948 -1.327 1.00 0.00 O ATOM 464 CB THR A 34 -3.456 -10.446 -3.481 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.894 -11.463 -2.645 1.00 0.00 O ATOM 466 CG2 THR A 34 -2.857 -10.540 -4.876 1.00 0.00 C ATOM 0 H THR A 34 -1.385 -9.313 -1.847 1.00 0.00 H new ATOM 0 HA THR A 34 -3.542 -8.291 -3.562 1.00 0.00 H new ATOM 0 HB THR A 34 -4.534 -10.592 -3.555 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.064 -12.343 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.052 -11.530 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.309 -9.783 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.781 -10.375 -4.822 1.00 0.00 H new ATOM 474 N MET A 35 -3.858 -9.955 -0.713 1.00 0.00 N ATOM 475 CA MET A 35 -4.549 -9.963 0.570 1.00 0.00 C ATOM 476 C MET A 35 -3.849 -9.049 1.571 1.00 0.00 C ATOM 477 O MET A 35 -4.482 -8.199 2.197 1.00 0.00 O ATOM 478 CB MET A 35 -4.621 -11.387 1.126 1.00 0.00 C ATOM 479 CG MET A 35 -5.113 -12.410 0.116 1.00 0.00 C ATOM 480 SD MET A 35 -5.194 -14.077 0.798 1.00 0.00 S ATOM 481 CE MET A 35 -6.869 -14.539 0.364 1.00 0.00 C ATOM 0 H MET A 35 -3.290 -10.783 -0.892 1.00 0.00 H new ATOM 0 HA MET A 35 -5.561 -9.591 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.632 -11.682 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.282 -11.397 1.992 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.102 -12.118 -0.238 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.451 -12.408 -0.750 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.071 -15.549 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.570 -13.844 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.987 -14.505 -0.719 1.00 0.00 H new ATOM 491 N SER A 36 -2.540 -9.230 1.716 1.00 0.00 N ATOM 492 CA SER A 36 -1.756 -8.423 2.643 1.00 0.00 C ATOM 493 C SER A 36 -2.205 -6.966 2.610 1.00 0.00 C ATOM 494 O SER A 36 -2.125 -6.258 3.614 1.00 0.00 O ATOM 495 CB SER A 36 -0.267 -8.518 2.301 1.00 0.00 C ATOM 496 OG SER A 36 0.535 -8.158 3.412 1.00 0.00 O ATOM 0 H SER A 36 -2.001 -9.928 1.204 1.00 0.00 H new ATOM 0 HA SER A 36 -1.916 -8.811 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.026 -9.534 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.042 -7.864 1.459 1.00 0.00 H new ATOM 0 HG SER A 36 0.859 -8.968 3.858 1.00 0.00 H new ATOM 502 N TRP A 37 -2.676 -6.525 1.449 1.00 0.00 N ATOM 503 CA TRP A 37 -3.138 -5.152 1.284 1.00 0.00 C ATOM 504 C TRP A 37 -4.636 -5.045 1.551 1.00 0.00 C ATOM 505 O TRP A 37 -5.108 -4.055 2.110 1.00 0.00 O ATOM 506 CB TRP A 37 -2.822 -4.651 -0.126 1.00 0.00 C ATOM 507 CG TRP A 37 -1.356 -4.631 -0.434 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.585 -5.688 -0.825 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.483 -3.497 -0.375 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.713 -5.280 -1.012 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.802 -3.940 -0.743 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.663 -2.150 -0.048 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.899 -3.084 -0.792 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.426 -1.302 -0.097 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.694 -1.770 -0.467 1.00 0.00 C ATOM 0 H TRP A 37 -2.748 -7.098 0.608 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.613 -4.530 2.009 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.330 -5.286 -0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.225 -3.645 -0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.943 -6.697 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.486 -5.878 -1.304 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.636 -1.779 0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.877 -3.444 -1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.298 -0.259 0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.525 -1.081 -0.496 1.00 0.00 H new ATOM 526 N LYS A 38 -5.378 -6.071 1.148 1.00 0.00 N ATOM 527 CA LYS A 38 -6.823 -6.094 1.344 1.00 0.00 C ATOM 528 C LYS A 38 -7.195 -5.526 2.711 1.00 0.00 C ATOM 529 O LYS A 38 -8.181 -4.802 2.844 1.00 0.00 O ATOM 530 CB LYS A 38 -7.354 -7.523 1.212 1.00 0.00 C ATOM 531 CG LYS A 38 -7.757 -7.893 -0.204 1.00 0.00 C ATOM 532 CD LYS A 38 -8.866 -8.932 -0.215 1.00 0.00 C ATOM 533 CE LYS A 38 -8.347 -10.305 0.186 1.00 0.00 C ATOM 534 NZ LYS A 38 -7.909 -10.338 1.609 1.00 0.00 N ATOM 0 H LYS A 38 -5.002 -6.898 0.684 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.279 -5.471 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.589 -8.219 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.215 -7.644 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.089 -7.000 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.890 -8.279 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.658 -8.627 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.307 -8.985 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.128 -11.049 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.511 -10.580 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.047 -11.295 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.902 -10.083 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.471 -9.659 2.161 1.00 0.00 H new ATOM 548 N SER A 39 -6.399 -5.859 3.722 1.00 0.00 N ATOM 549 CA SER A 39 -6.647 -5.384 5.078 1.00 0.00 C ATOM 550 C SER A 39 -6.667 -3.860 5.124 1.00 0.00 C ATOM 551 O SER A 39 -7.526 -3.258 5.769 1.00 0.00 O ATOM 552 CB SER A 39 -5.578 -5.921 6.032 1.00 0.00 C ATOM 553 OG SER A 39 -6.061 -5.972 7.363 1.00 0.00 O ATOM 0 H SER A 39 -5.577 -6.456 3.628 1.00 0.00 H new ATOM 0 HA SER A 39 -7.623 -5.752 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.271 -6.918 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.694 -5.285 5.987 1.00 0.00 H new ATOM 0 HG SER A 39 -5.360 -6.320 7.952 1.00 0.00 H new ATOM 559 N GLY A 40 -5.714 -3.240 4.436 1.00 0.00 N ATOM 560 CA GLY A 40 -5.639 -1.791 4.411 1.00 0.00 C ATOM 561 C GLY A 40 -4.438 -1.259 5.167 1.00 0.00 C ATOM 562 O GLY A 40 -3.777 -0.321 4.718 1.00 0.00 O ATOM 0 H GLY A 40 -4.992 -3.716 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.593 -1.451 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.549 -1.376 4.843 1.00 0.00 H new ATOM 566 N LEU A 41 -4.154 -1.857 6.319 1.00 0.00 N ATOM 567 CA LEU A 41 -3.024 -1.437 7.141 1.00 0.00 C ATOM 568 C LEU A 41 -1.802 -1.141 6.277 1.00 0.00 C ATOM 569 O LEU A 41 -1.200 -0.073 6.382 1.00 0.00 O ATOM 570 CB LEU A 41 -2.686 -2.518 8.169 1.00 0.00 C ATOM 571 CG LEU A 41 -3.743 -2.776 9.243 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.413 -4.039 10.024 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.855 -1.581 10.180 1.00 0.00 C ATOM 0 H LEU A 41 -4.690 -2.634 6.705 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.307 -0.523 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.501 -3.452 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.754 -2.243 8.663 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.705 -2.918 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.176 -4.207 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.385 -4.890 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.441 -3.926 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.612 -1.783 10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.894 -1.407 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.139 -0.697 9.610 1.00 0.00 H new ATOM 585 N ALA A 42 -1.444 -2.093 5.422 1.00 0.00 N ATOM 586 CA ALA A 42 -0.297 -1.933 4.537 1.00 0.00 C ATOM 587 C ALA A 42 -0.315 -0.569 3.856 1.00 0.00 C ATOM 588 O ALA A 42 0.564 0.262 4.085 1.00 0.00 O ATOM 589 CB ALA A 42 -0.274 -3.044 3.497 1.00 0.00 C ATOM 0 H ALA A 42 -1.932 -2.983 5.323 1.00 0.00 H new ATOM 0 HA ALA A 42 0.608 -1.996 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.588 -2.912 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.205 -4.010 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.188 -3.007 2.905 1.00 0.00 H new ATOM 595 N LEU A 43 -1.322 -0.345 3.019 1.00 0.00 N ATOM 596 CA LEU A 43 -1.454 0.920 2.303 1.00 0.00 C ATOM 597 C LEU A 43 -1.260 2.102 3.247 1.00 0.00 C ATOM 598 O LEU A 43 -0.533 3.046 2.934 1.00 0.00 O ATOM 599 CB LEU A 43 -2.826 1.008 1.633 1.00 0.00 C ATOM 600 CG LEU A 43 -2.989 2.102 0.577 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.874 2.019 -0.454 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.350 1.996 -0.096 1.00 0.00 C ATOM 0 H LEU A 43 -2.059 -1.022 2.819 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.679 0.959 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.043 0.047 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.577 1.164 2.408 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.926 3.071 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.007 2.805 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.911 2.146 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.904 1.046 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.448 2.782 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.443 1.023 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.135 2.107 0.652 1.00 0.00 H new ATOM 614 N CYS A 44 -1.912 2.044 4.403 1.00 0.00 N ATOM 615 CA CYS A 44 -1.810 3.109 5.393 1.00 0.00 C ATOM 616 C CYS A 44 -0.369 3.278 5.864 1.00 0.00 C ATOM 617 O CYS A 44 0.103 4.397 6.062 1.00 0.00 O ATOM 618 CB CYS A 44 -2.718 2.813 6.588 1.00 0.00 C ATOM 619 SG CYS A 44 -4.452 2.552 6.149 1.00 0.00 S ATOM 0 H CYS A 44 -2.517 1.270 4.677 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.131 4.039 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.347 1.926 7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.653 3.641 7.294 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.578 1.413 5.536 1.00 0.00 H new ATOM 625 N ALA A 45 0.325 2.158 6.042 1.00 0.00 N ATOM 626 CA ALA A 45 1.712 2.182 6.489 1.00 0.00 C ATOM 627 C ALA A 45 2.613 2.839 5.449 1.00 0.00 C ATOM 628 O ALA A 45 3.740 3.234 5.750 1.00 0.00 O ATOM 629 CB ALA A 45 2.193 0.771 6.791 1.00 0.00 C ATOM 0 H ALA A 45 -0.051 1.223 5.883 1.00 0.00 H new ATOM 0 HA ALA A 45 1.763 2.775 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.230 0.804 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.574 0.336 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.120 0.161 5.891 1.00 0.00 H new ATOM 635 N ILE A 46 2.109 2.953 4.224 1.00 0.00 N ATOM 636 CA ILE A 46 2.869 3.563 3.140 1.00 0.00 C ATOM 637 C ILE A 46 2.830 5.085 3.230 1.00 0.00 C ATOM 638 O ILE A 46 3.871 5.742 3.260 1.00 0.00 O ATOM 639 CB ILE A 46 2.335 3.127 1.763 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.430 1.607 1.613 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.104 3.824 0.651 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.852 1.095 1.538 1.00 0.00 C ATOM 0 H ILE A 46 1.178 2.631 3.958 1.00 0.00 H new ATOM 0 HA ILE A 46 3.899 3.222 3.245 1.00 0.00 H new ATOM 0 HB ILE A 46 1.287 3.416 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.926 1.135 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.896 1.305 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.715 3.505 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.989 4.903 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.160 3.564 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.843 0.010 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.354 1.539 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.385 1.366 2.449 1.00 0.00 H new ATOM 654 N ILE A 47 1.623 5.638 3.273 1.00 0.00 N ATOM 655 CA ILE A 47 1.448 7.083 3.362 1.00 0.00 C ATOM 656 C ILE A 47 2.046 7.630 4.654 1.00 0.00 C ATOM 657 O ILE A 47 2.742 8.646 4.647 1.00 0.00 O ATOM 658 CB ILE A 47 -0.039 7.475 3.291 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.629 7.079 1.936 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.205 8.969 3.530 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.115 6.799 1.983 1.00 0.00 C ATOM 0 H ILE A 47 0.752 5.108 3.248 1.00 0.00 H new ATOM 0 HA ILE A 47 1.971 7.518 2.510 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.578 6.939 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.440 7.878 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.112 6.193 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.262 9.231 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.183 9.225 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.345 9.523 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.465 6.524 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.309 5.979 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.643 7.691 2.320 1.00 0.00 H new ATOM 673 N HIS A 48 1.771 6.949 5.762 1.00 0.00 N ATOM 674 CA HIS A 48 2.283 7.365 7.063 1.00 0.00 C ATOM 675 C HIS A 48 3.808 7.329 7.083 1.00 0.00 C ATOM 676 O HIS A 48 4.456 8.275 7.531 1.00 0.00 O ATOM 677 CB HIS A 48 1.726 6.466 8.166 1.00 0.00 C ATOM 678 CG HIS A 48 2.253 6.793 9.529 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.543 6.508 9.925 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.657 7.386 10.590 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.717 6.910 11.172 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.588 7.446 11.598 1.00 0.00 N ATOM 0 H HIS A 48 1.196 6.107 5.785 1.00 0.00 H new ATOM 0 HA HIS A 48 1.958 8.390 7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.639 6.549 8.176 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.965 5.428 7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.639 7.745 10.635 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.628 6.816 11.745 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.432 7.841 12.526 1.00 0.00 H new ATOM 691 N ARG A 49 4.376 6.231 6.594 1.00 0.00 N ATOM 692 CA ARG A 49 5.824 6.071 6.558 1.00 0.00 C ATOM 693 C ARG A 49 6.511 7.399 6.252 1.00 0.00 C ATOM 694 O ARG A 49 7.405 7.829 6.980 1.00 0.00 O ATOM 695 CB ARG A 49 6.218 5.028 5.510 1.00 0.00 C ATOM 696 CG ARG A 49 7.719 4.829 5.382 1.00 0.00 C ATOM 697 CD ARG A 49 8.326 4.322 6.681 1.00 0.00 C ATOM 698 NE ARG A 49 9.777 4.180 6.588 1.00 0.00 N ATOM 699 CZ ARG A 49 10.516 3.574 7.510 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.944 3.055 8.588 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.831 3.484 7.355 1.00 0.00 N ATOM 0 H ARG A 49 3.855 5.439 6.217 1.00 0.00 H new ATOM 0 HA ARG A 49 6.151 5.730 7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.754 4.075 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.816 5.328 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.926 4.119 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.190 5.772 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.080 5.011 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.883 3.359 6.937 1.00 0.00 H new ATOM 0 HE ARG A 49 10.248 4.567 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.934 3.121 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.514 2.590 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.275 3.881 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.397 3.018 8.064 1.00 0.00 H new ATOM 715 N TYR A 50 6.087 8.042 5.170 1.00 0.00 N ATOM 716 CA TYR A 50 6.662 9.319 4.765 1.00 0.00 C ATOM 717 C TYR A 50 5.915 10.482 5.411 1.00 0.00 C ATOM 718 O TYR A 50 6.520 11.355 6.033 1.00 0.00 O ATOM 719 CB TYR A 50 6.628 9.458 3.243 1.00 0.00 C ATOM 720 CG TYR A 50 7.540 8.489 2.525 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.359 7.117 2.644 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.583 8.946 1.729 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.190 6.227 1.991 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.419 8.064 1.072 1.00 0.00 C ATOM 725 CZ TYR A 50 9.218 6.706 1.205 1.00 0.00 C ATOM 726 OH TYR A 50 10.049 5.824 0.553 1.00 0.00 O ATOM 0 H TYR A 50 5.347 7.700 4.557 1.00 0.00 H new ATOM 0 HA TYR A 50 7.698 9.345 5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.606 9.307 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.909 10.476 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.555 6.739 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.743 10.009 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.036 5.163 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.226 8.436 0.458 1.00 0.00 H new ATOM 0 HH TYR A 50 9.543 5.024 0.299 1.00 0.00 H new ATOM 736 N ARG A 51 4.595 10.486 5.258 1.00 0.00 N ATOM 737 CA ARG A 51 3.763 11.541 5.825 1.00 0.00 C ATOM 738 C ARG A 51 2.755 10.966 6.816 1.00 0.00 C ATOM 739 O ARG A 51 1.670 10.518 6.445 1.00 0.00 O ATOM 740 CB ARG A 51 3.029 12.294 4.713 1.00 0.00 C ATOM 741 CG ARG A 51 3.923 12.682 3.547 1.00 0.00 C ATOM 742 CD ARG A 51 4.604 14.020 3.787 1.00 0.00 C ATOM 743 NE ARG A 51 3.640 15.080 4.072 1.00 0.00 N ATOM 744 CZ ARG A 51 3.986 16.302 4.463 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.265 16.616 4.616 1.00 0.00 N ATOM 746 NH2 ARG A 51 3.051 17.212 4.703 1.00 0.00 N ATOM 0 H ARG A 51 4.078 9.771 4.746 1.00 0.00 H new ATOM 0 HA ARG A 51 4.413 12.235 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.213 11.673 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.580 13.195 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.678 11.911 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.330 12.733 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.300 13.929 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.192 14.290 2.910 1.00 0.00 H new ATOM 0 HE ARG A 51 2.647 14.871 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.987 15.919 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.527 17.555 4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.066 16.974 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.317 18.150 5.003 1.00 0.00 H new ATOM 760 N PRO A 52 3.121 10.978 8.106 1.00 0.00 N ATOM 761 CA PRO A 52 2.263 10.461 9.176 1.00 0.00 C ATOM 762 C PRO A 52 1.040 11.339 9.414 1.00 0.00 C ATOM 763 O PRO A 52 0.021 10.876 9.926 1.00 0.00 O ATOM 764 CB PRO A 52 3.179 10.476 10.403 1.00 0.00 C ATOM 765 CG PRO A 52 4.190 11.529 10.108 1.00 0.00 C ATOM 766 CD PRO A 52 4.400 11.496 8.619 1.00 0.00 C ATOM 0 HA PRO A 52 1.863 9.476 8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.621 10.706 11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.651 9.506 10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.838 12.509 10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.122 11.334 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.620 12.487 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.234 10.850 8.345 1.00 0.00 H new ATOM 774 N ASP A 53 1.147 12.609 9.039 1.00 0.00 N ATOM 775 CA ASP A 53 0.049 13.553 9.210 1.00 0.00 C ATOM 776 C ASP A 53 -1.159 13.138 8.374 1.00 0.00 C ATOM 777 O ASP A 53 -2.246 12.910 8.906 1.00 0.00 O ATOM 778 CB ASP A 53 0.494 14.963 8.820 1.00 0.00 C ATOM 779 CG ASP A 53 1.937 15.238 9.193 1.00 0.00 C ATOM 780 OD1 ASP A 53 2.837 14.784 8.456 1.00 0.00 O ATOM 781 OD2 ASP A 53 2.167 15.908 10.222 1.00 0.00 O ATOM 0 H ASP A 53 1.984 13.009 8.614 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.240 13.550 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.368 15.097 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.150 15.693 9.310 1.00 0.00 H new ATOM 786 N LEU A 54 -0.961 13.042 7.064 1.00 0.00 N ATOM 787 CA LEU A 54 -2.033 12.655 6.155 1.00 0.00 C ATOM 788 C LEU A 54 -2.840 11.494 6.726 1.00 0.00 C ATOM 789 O LEU A 54 -4.056 11.593 6.894 1.00 0.00 O ATOM 790 CB LEU A 54 -1.458 12.269 4.791 1.00 0.00 C ATOM 791 CG LEU A 54 -0.379 13.197 4.231 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.001 12.782 2.818 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.854 14.642 4.254 1.00 0.00 C ATOM 0 H LEU A 54 -0.068 13.227 6.608 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.698 13.510 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.042 11.264 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.277 12.222 4.074 1.00 0.00 H new ATOM 0 HG LEU A 54 0.506 13.116 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.770 13.454 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.384 11.761 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.878 12.833 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.074 15.288 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.754 14.739 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.075 14.936 5.280 1.00 0.00 H new ATOM 805 N ILE A 55 -2.155 10.395 7.025 1.00 0.00 N ATOM 806 CA ILE A 55 -2.808 9.216 7.581 1.00 0.00 C ATOM 807 C ILE A 55 -2.201 8.836 8.927 1.00 0.00 C ATOM 808 O ILE A 55 -0.981 8.832 9.091 1.00 0.00 O ATOM 809 CB ILE A 55 -2.705 8.013 6.626 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.850 7.031 6.883 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.360 7.321 6.788 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.236 6.221 5.665 1.00 0.00 C ATOM 0 H ILE A 55 -1.149 10.297 6.892 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.859 9.472 7.718 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.784 8.374 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.562 6.351 7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.721 7.585 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.303 6.473 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.559 8.024 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.253 6.969 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.053 5.547 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.555 6.892 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.378 5.640 5.328 1.00 0.00 H new ATOM 824 N ASP A 56 -3.060 8.514 9.888 1.00 0.00 N ATOM 825 CA ASP A 56 -2.610 8.129 11.220 1.00 0.00 C ATOM 826 C ASP A 56 -2.808 6.634 11.449 1.00 0.00 C ATOM 827 O ASP A 56 -3.923 6.175 11.696 1.00 0.00 O ATOM 828 CB ASP A 56 -3.362 8.925 12.287 1.00 0.00 C ATOM 829 CG ASP A 56 -2.621 8.968 13.608 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.541 7.917 14.278 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.120 10.053 13.974 1.00 0.00 O ATOM 0 H ASP A 56 -4.073 8.512 9.769 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.546 8.352 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.523 9.943 11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.346 8.482 12.440 1.00 0.00 H new ATOM 836 N PHE A 57 -1.718 5.878 11.365 1.00 0.00 N ATOM 837 CA PHE A 57 -1.772 4.434 11.561 1.00 0.00 C ATOM 838 C PHE A 57 -2.023 4.093 13.027 1.00 0.00 C ATOM 839 O PHE A 57 -2.899 3.289 13.347 1.00 0.00 O ATOM 840 CB PHE A 57 -0.469 3.785 11.091 1.00 0.00 C ATOM 841 CG PHE A 57 -0.500 2.283 11.124 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.325 1.600 12.317 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.706 1.556 9.963 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.353 0.219 12.350 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.736 0.174 9.991 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.560 -0.495 11.186 1.00 0.00 C ATOM 0 H PHE A 57 -0.787 6.242 11.163 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.599 4.043 10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.255 4.114 10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.350 4.137 11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.165 2.153 13.231 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.845 2.074 9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.213 -0.302 13.286 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.897 -0.382 9.079 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.584 -1.574 11.210 1.00 0.00 H new ATOM 856 N ASP A 58 -1.248 4.709 13.913 1.00 0.00 N ATOM 857 CA ASP A 58 -1.386 4.473 15.345 1.00 0.00 C ATOM 858 C ASP A 58 -2.856 4.447 15.753 1.00 0.00 C ATOM 859 O ASP A 58 -3.271 3.620 16.564 1.00 0.00 O ATOM 860 CB ASP A 58 -0.643 5.551 16.135 1.00 0.00 C ATOM 861 CG ASP A 58 -0.495 5.195 17.602 1.00 0.00 C ATOM 862 OD1 ASP A 58 -1.516 4.857 18.237 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.642 5.253 18.114 1.00 0.00 O ATOM 0 H ASP A 58 -0.517 5.376 13.664 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.948 3.501 15.572 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.345 5.701 15.699 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.178 6.497 16.046 1.00 0.00 H new ATOM 868 N SER A 59 -3.638 5.360 15.185 1.00 0.00 N ATOM 869 CA SER A 59 -5.061 5.445 15.493 1.00 0.00 C ATOM 870 C SER A 59 -5.826 4.292 14.851 1.00 0.00 C ATOM 871 O SER A 59 -6.613 3.611 15.510 1.00 0.00 O ATOM 872 CB SER A 59 -5.629 6.781 15.010 1.00 0.00 C ATOM 873 OG SER A 59 -7.015 6.878 15.292 1.00 0.00 O ATOM 0 H SER A 59 -3.310 6.051 14.510 1.00 0.00 H new ATOM 0 HA SER A 59 -5.178 5.378 16.575 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.098 7.601 15.493 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.465 6.883 13.937 1.00 0.00 H new ATOM 0 HG SER A 59 -7.354 7.741 14.975 1.00 0.00 H new ATOM 879 N LEU A 60 -5.589 4.078 13.562 1.00 0.00 N ATOM 880 CA LEU A 60 -6.255 3.007 12.829 1.00 0.00 C ATOM 881 C LEU A 60 -6.164 1.688 13.589 1.00 0.00 C ATOM 882 O LEU A 60 -5.170 1.416 14.263 1.00 0.00 O ATOM 883 CB LEU A 60 -5.635 2.852 11.439 1.00 0.00 C ATOM 884 CG LEU A 60 -5.886 3.999 10.460 1.00 0.00 C ATOM 885 CD1 LEU A 60 -4.997 3.859 9.234 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.353 4.044 10.055 1.00 0.00 C ATOM 0 H LEU A 60 -4.941 4.632 13.002 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.307 3.272 12.724 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.558 2.729 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.015 1.932 10.994 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.638 4.936 10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.190 4.684 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.951 3.878 9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.212 2.915 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.513 4.867 9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.627 3.104 9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.971 4.194 10.941 1.00 0.00 H new ATOM 898 N ASP A 61 -7.205 0.872 13.475 1.00 0.00 N ATOM 899 CA ASP A 61 -7.242 -0.421 14.149 1.00 0.00 C ATOM 900 C ASP A 61 -7.137 -1.562 13.142 1.00 0.00 C ATOM 901 O ASP A 61 -7.808 -1.555 12.111 1.00 0.00 O ATOM 902 CB ASP A 61 -8.529 -0.559 14.964 1.00 0.00 C ATOM 903 CG ASP A 61 -8.508 0.281 16.225 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.769 1.287 16.257 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.233 -0.067 17.181 1.00 0.00 O ATOM 0 H ASP A 61 -8.036 1.083 12.922 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.387 -0.476 14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.379 -0.264 14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.676 -1.606 15.230 1.00 0.00 H new ATOM 910 N GLU A 62 -6.290 -2.540 13.449 1.00 0.00 N ATOM 911 CA GLU A 62 -6.097 -3.686 12.569 1.00 0.00 C ATOM 912 C GLU A 62 -7.412 -4.427 12.344 1.00 0.00 C ATOM 913 O GLU A 62 -7.510 -5.286 11.468 1.00 0.00 O ATOM 914 CB GLU A 62 -5.056 -4.640 13.159 1.00 0.00 C ATOM 915 CG GLU A 62 -5.423 -5.165 14.536 1.00 0.00 C ATOM 916 CD GLU A 62 -5.102 -4.177 15.641 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.006 -3.579 15.602 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.946 -4.002 16.545 1.00 0.00 O ATOM 0 H GLU A 62 -5.727 -2.561 14.300 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.739 -3.317 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.923 -5.483 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.097 -4.126 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.487 -5.398 14.560 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.888 -6.097 14.720 1.00 0.00 H new ATOM 925 N GLN A 63 -8.420 -4.087 13.141 1.00 0.00 N ATOM 926 CA GLN A 63 -9.728 -4.721 13.030 1.00 0.00 C ATOM 927 C GLN A 63 -10.508 -4.156 11.848 1.00 0.00 C ATOM 928 O GLN A 63 -11.175 -4.892 11.123 1.00 0.00 O ATOM 929 CB GLN A 63 -10.524 -4.525 14.322 1.00 0.00 C ATOM 930 CG GLN A 63 -9.950 -5.278 15.511 1.00 0.00 C ATOM 931 CD GLN A 63 -11.012 -5.686 16.512 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.536 -6.799 16.460 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.337 -4.785 17.432 1.00 0.00 N ATOM 0 H GLN A 63 -8.356 -3.377 13.870 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.574 -5.787 12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.560 -3.462 14.559 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.552 -4.850 14.159 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.430 -6.168 15.156 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.209 -4.653 16.008 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.878 -3.874 17.439 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.046 -5.004 18.132 1.00 0.00 H new ATOM 942 N ASN A 64 -10.419 -2.843 11.660 1.00 0.00 N ATOM 943 CA ASN A 64 -11.118 -2.179 10.565 1.00 0.00 C ATOM 944 C ASN A 64 -10.423 -2.448 9.234 1.00 0.00 C ATOM 945 O ASN A 64 -9.294 -2.012 9.011 1.00 0.00 O ATOM 946 CB ASN A 64 -11.191 -0.672 10.819 1.00 0.00 C ATOM 947 CG ASN A 64 -11.635 -0.344 12.232 1.00 0.00 C ATOM 948 OD1 ASN A 64 -10.902 0.546 12.891 1.00 0.00 O flip ATOM 949 ND2 ASN A 64 -12.624 -0.886 12.725 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.870 -2.218 12.251 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.129 -2.582 10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.213 -0.228 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.884 -0.220 10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.158 -1.564 12.182 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.910 -0.657 13.677 1.00 0.00 H new ATOM 956 N VAL A 65 -11.107 -3.169 8.351 1.00 0.00 N ATOM 957 CA VAL A 65 -10.558 -3.496 7.041 1.00 0.00 C ATOM 958 C VAL A 65 -11.051 -2.519 5.979 1.00 0.00 C ATOM 959 O VAL A 65 -10.274 -2.041 5.153 1.00 0.00 O ATOM 960 CB VAL A 65 -10.930 -4.929 6.617 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.421 -5.220 5.213 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.381 -5.938 7.613 1.00 0.00 C ATOM 0 H VAL A 65 -12.043 -3.538 8.520 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.474 -3.421 7.125 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.016 -5.017 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.693 -6.237 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.868 -4.516 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.336 -5.115 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.653 -6.945 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.295 -5.852 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.800 -5.741 8.600 1.00 0.00 H new ATOM 972 N GLU A 66 -12.347 -2.226 6.008 1.00 0.00 N ATOM 973 CA GLU A 66 -12.943 -1.306 5.047 1.00 0.00 C ATOM 974 C GLU A 66 -12.487 0.127 5.311 1.00 0.00 C ATOM 975 O GLU A 66 -12.290 0.909 4.380 1.00 0.00 O ATOM 976 CB GLU A 66 -14.470 -1.386 5.110 1.00 0.00 C ATOM 977 CG GLU A 66 -15.170 -0.441 4.149 1.00 0.00 C ATOM 978 CD GLU A 66 -16.666 -0.371 4.384 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.250 -1.393 4.799 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.252 0.708 4.154 1.00 0.00 O ATOM 0 H GLU A 66 -13.004 -2.612 6.686 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.612 -1.597 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.781 -2.408 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.795 -1.164 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.743 0.557 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.982 -0.765 3.125 1.00 0.00 H new ATOM 987 N LYS A 67 -12.322 0.464 6.585 1.00 0.00 N ATOM 988 CA LYS A 67 -11.889 1.801 6.973 1.00 0.00 C ATOM 989 C LYS A 67 -10.471 2.077 6.485 1.00 0.00 C ATOM 990 O LYS A 67 -10.244 2.989 5.692 1.00 0.00 O ATOM 991 CB LYS A 67 -11.956 1.959 8.494 1.00 0.00 C ATOM 992 CG LYS A 67 -12.226 3.384 8.946 1.00 0.00 C ATOM 993 CD LYS A 67 -13.716 3.667 9.037 1.00 0.00 C ATOM 994 CE LYS A 67 -13.989 5.135 9.327 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.525 5.526 10.687 1.00 0.00 N ATOM 0 H LYS A 67 -12.482 -0.171 7.367 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.561 2.523 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.739 1.308 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.015 1.621 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.763 3.552 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.764 4.082 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.199 3.384 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.157 3.052 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.488 5.752 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.058 5.331 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.759 6.524 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.996 4.932 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.495 5.395 10.753 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.520 1.280 6.963 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.123 1.439 6.573 1.00 0.00 C ATOM 1011 C ASN A 68 -8.005 1.741 5.083 1.00 0.00 C ATOM 1012 O ASN A 68 -7.195 2.569 4.669 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.331 0.175 6.914 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.802 0.189 8.335 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.595 0.275 8.559 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.707 0.103 9.303 1.00 0.00 N ATOM 0 H ASN A 68 -9.691 0.519 7.620 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.709 2.280 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.969 -0.698 6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.497 0.074 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.411 0.107 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.698 0.033 9.070 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.820 1.062 4.281 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.807 1.258 2.835 1.00 0.00 C ATOM 1025 C ASN A 69 -9.527 2.548 2.455 1.00 0.00 C ATOM 1026 O ASN A 69 -8.926 3.462 1.892 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.463 0.067 2.133 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.639 -1.200 2.253 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.461 -1.225 1.896 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.258 -2.262 2.757 1.00 0.00 N ATOM 0 H ASN A 69 -9.497 0.372 4.607 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.769 1.334 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.451 -0.104 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.608 0.305 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.755 -3.144 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.236 -2.196 3.040 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.818 2.612 2.766 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.620 3.790 2.456 1.00 0.00 C ATOM 1039 C GLN A 70 -10.842 5.070 2.744 1.00 0.00 C ATOM 1040 O GLN A 70 -10.921 6.040 1.990 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.919 3.775 3.263 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.767 5.022 3.073 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.476 5.047 1.734 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.667 4.745 1.643 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.747 5.407 0.684 1.00 0.00 N ATOM 0 H GLN A 70 -11.330 1.863 3.232 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.861 3.765 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.504 2.901 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.679 3.667 4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.506 5.079 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.133 5.905 3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.764 5.649 0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.171 5.441 -0.243 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.091 5.065 3.840 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.298 6.226 4.229 1.00 0.00 C ATOM 1056 C LEU A 71 -8.231 6.532 3.183 1.00 0.00 C ATOM 1057 O LEU A 71 -8.295 7.551 2.496 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.641 5.987 5.590 1.00 0.00 C ATOM 1059 CG LEU A 71 -7.876 7.171 6.183 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -8.751 8.414 6.206 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.382 6.838 7.583 1.00 0.00 C ATOM 0 H LEU A 71 -10.015 4.270 4.475 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.966 7.084 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.415 5.689 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.954 5.146 5.497 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.010 7.373 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.190 9.246 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.056 8.663 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.636 8.225 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.840 7.691 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.233 6.609 8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.719 5.974 7.539 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.251 5.641 3.067 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.173 5.814 2.102 1.00 0.00 C ATOM 1075 C ALA A 72 -6.714 6.256 0.747 1.00 0.00 C ATOM 1076 O ALA A 72 -6.273 7.260 0.188 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.380 4.523 1.961 1.00 0.00 C ATOM 0 H ALA A 72 -7.182 4.793 3.629 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.510 6.597 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.578 4.666 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.953 4.251 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.040 3.726 1.618 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.672 5.499 0.222 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.272 5.812 -1.069 1.00 0.00 C ATOM 1085 C PHE A 73 -8.679 7.281 -1.138 1.00 0.00 C ATOM 1086 O PHE A 73 -8.698 7.881 -2.213 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.491 4.921 -1.318 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.137 3.507 -1.681 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.152 3.246 -2.621 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.787 2.440 -1.083 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.825 1.946 -2.957 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.463 1.138 -1.415 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.480 0.891 -2.353 1.00 0.00 C ATOM 0 H PHE A 73 -8.049 4.664 0.671 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.528 5.623 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.114 4.913 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.090 5.354 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.635 4.067 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.556 2.628 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.057 1.755 -3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.978 0.315 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.224 -0.125 -2.614 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.005 7.853 0.015 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.411 9.252 0.088 1.00 0.00 C ATOM 1105 C ASP A 74 -8.203 10.158 0.301 1.00 0.00 C ATOM 1106 O ASP A 74 -7.932 11.048 -0.506 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.422 9.453 1.217 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.377 10.598 0.942 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -10.941 11.766 1.015 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.561 10.326 0.652 1.00 0.00 O ATOM 0 H ASP A 74 -8.996 7.369 0.913 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.879 9.519 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.992 8.535 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.889 9.644 2.148 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.482 9.927 1.393 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.303 10.723 1.712 1.00 0.00 C ATOM 1117 C ILE A 75 -5.355 10.802 0.521 1.00 0.00 C ATOM 1118 O ILE A 75 -4.955 11.889 0.104 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.544 10.145 2.921 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.478 10.024 4.127 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.344 11.017 3.259 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.085 11.341 4.556 1.00 0.00 C ATOM 0 H ILE A 75 -7.693 9.195 2.072 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.655 11.724 1.960 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.184 9.149 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.279 9.325 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.924 9.599 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.818 10.596 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.670 11.057 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.683 12.024 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.735 11.179 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.291 12.036 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.667 11.758 3.734 1.00 0.00 H new ATOM 1134 N ALA A 76 -4.999 9.643 -0.024 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.101 9.581 -1.170 1.00 0.00 C ATOM 1136 C ALA A 76 -4.487 10.611 -2.227 1.00 0.00 C ATOM 1137 O ALA A 76 -3.786 11.602 -2.426 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.103 8.182 -1.767 1.00 0.00 C ATOM 0 H ALA A 76 -5.319 8.734 0.310 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.094 9.815 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.428 8.150 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.771 7.465 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.112 7.926 -2.091 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.606 10.367 -2.901 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.084 11.274 -3.939 1.00 0.00 C ATOM 1146 C GLU A 77 -6.200 12.698 -3.406 1.00 0.00 C ATOM 1147 O GLU A 77 -5.822 13.658 -4.078 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.439 10.805 -4.473 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.754 11.316 -5.868 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.486 12.644 -5.851 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.350 12.833 -4.970 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -8.195 13.493 -6.719 1.00 0.00 O ATOM 0 H GLU A 77 -6.198 9.551 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.359 11.268 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.459 9.715 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.222 11.133 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.826 11.424 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.360 10.578 -6.393 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.728 12.829 -2.193 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.895 14.135 -1.567 1.00 0.00 C ATOM 1161 C LYS A 78 -5.621 14.966 -1.694 1.00 0.00 C ATOM 1162 O LYS A 78 -5.642 16.069 -2.238 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.265 13.972 -0.091 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.762 13.893 0.154 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.365 15.271 0.372 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.859 15.277 0.085 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.148 15.593 -1.341 1.00 0.00 N ATOM 0 H LYS A 78 -7.048 12.045 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.701 14.657 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.794 13.069 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.857 14.811 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.246 13.414 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.956 13.268 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.190 15.588 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.866 15.994 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.281 14.303 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.349 16.010 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.176 15.587 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.768 16.533 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.702 14.879 -1.952 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.516 14.427 -1.188 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.234 15.120 -1.246 1.00 0.00 C ATOM 1183 C GLU A 79 -2.383 14.593 -2.398 1.00 0.00 C ATOM 1184 O GLU A 79 -2.047 15.331 -3.325 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.481 14.957 0.075 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.254 15.461 1.283 1.00 0.00 C ATOM 1187 CD GLU A 79 -2.985 16.923 1.579 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -1.831 17.363 1.391 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.927 17.627 1.998 1.00 0.00 O ATOM 0 H GLU A 79 -4.483 13.514 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.429 16.179 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.243 13.903 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.533 15.492 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.321 15.319 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.989 14.863 2.155 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.037 13.312 -2.332 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.223 12.684 -3.368 1.00 0.00 C ATOM 1198 C LEU A 80 -1.839 12.898 -4.747 1.00 0.00 C ATOM 1199 O LEU A 80 -1.208 13.464 -5.639 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.074 11.188 -3.090 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.743 10.803 -1.647 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.568 9.297 -1.524 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.508 11.528 -1.175 1.00 0.00 C ATOM 0 H LEU A 80 -2.307 12.688 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.237 13.149 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.002 10.692 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.291 10.794 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.575 11.105 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.333 9.041 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.491 8.798 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.245 8.971 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.728 11.242 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.348 11.258 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.345 12.605 -1.225 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.077 12.443 -4.914 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.759 12.595 -6.186 1.00 0.00 C ATOM 1217 C GLY A 81 -4.007 11.267 -6.873 1.00 0.00 C ATOM 1218 O GLY A 81 -4.634 11.217 -7.932 1.00 0.00 O ATOM 0 H GLY A 81 -3.620 11.972 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.711 13.101 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.164 13.233 -6.840 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.514 10.190 -6.272 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.686 8.856 -6.834 1.00 0.00 C ATOM 1224 C ILE A 82 -5.131 8.388 -6.706 1.00 0.00 C ATOM 1225 O ILE A 82 -5.555 7.931 -5.644 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.763 7.832 -6.146 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.304 8.282 -6.243 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.942 6.456 -6.769 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.389 7.580 -5.265 1.00 0.00 C ATOM 0 H ILE A 82 -2.992 10.215 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.420 8.921 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.035 7.770 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.944 8.104 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.251 9.357 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.283 5.743 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.977 6.136 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.694 6.502 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.629 7.949 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.724 7.778 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.412 6.506 -5.452 1.00 0.00 H new ATOM 1241 N SER A 83 -5.884 8.503 -7.795 1.00 0.00 N ATOM 1242 CA SER A 83 -7.283 8.093 -7.804 1.00 0.00 C ATOM 1243 C SER A 83 -7.420 6.618 -7.440 1.00 0.00 C ATOM 1244 O SER A 83 -6.693 5.759 -7.939 1.00 0.00 O ATOM 1245 CB SER A 83 -7.903 8.349 -9.180 1.00 0.00 C ATOM 1246 OG SER A 83 -9.085 7.588 -9.357 1.00 0.00 O ATOM 0 H SER A 83 -5.549 8.877 -8.683 1.00 0.00 H new ATOM 0 HA SER A 83 -7.813 8.685 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.130 9.410 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.184 8.096 -9.959 1.00 0.00 H new ATOM 0 HG SER A 83 -9.462 7.771 -10.243 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.375 6.316 -6.548 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.631 4.945 -6.095 1.00 0.00 C ATOM 1254 C PRO A 84 -9.242 4.078 -7.191 1.00 0.00 C ATOM 1255 O PRO A 84 -10.086 4.538 -7.961 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.622 5.130 -4.944 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.305 6.422 -5.236 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.279 7.289 -5.912 1.00 0.00 C ATOM 0 HA PRO A 84 -7.713 4.433 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.335 4.307 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.110 5.161 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.171 6.269 -5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.667 6.888 -4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.735 7.953 -6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.751 7.919 -5.196 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.813 2.822 -7.254 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.320 1.891 -8.254 1.00 0.00 C ATOM 1268 C ILE A 85 -10.567 1.171 -7.753 1.00 0.00 C ATOM 1269 O ILE A 85 -11.414 0.753 -8.541 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.257 0.846 -8.640 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.844 0.030 -7.414 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.047 1.525 -9.264 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.086 -1.234 -7.756 1.00 0.00 C ATOM 0 H ILE A 85 -8.115 2.426 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.574 2.481 -9.135 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.687 0.167 -9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.225 0.651 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.736 -0.234 -6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.305 0.773 -9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.354 2.065 -10.159 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.613 2.224 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.826 -1.762 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.710 -1.875 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.176 -0.977 -8.298 1.00 0.00 H new ATOM 1285 N MET A 86 -10.673 1.031 -6.435 1.00 0.00 N ATOM 1286 CA MET A 86 -11.819 0.364 -5.828 1.00 0.00 C ATOM 1287 C MET A 86 -12.116 0.942 -4.448 1.00 0.00 C ATOM 1288 O MET A 86 -11.220 1.443 -3.767 1.00 0.00 O ATOM 1289 CB MET A 86 -11.562 -1.140 -5.719 1.00 0.00 C ATOM 1290 CG MET A 86 -10.494 -1.502 -4.700 1.00 0.00 C ATOM 1291 SD MET A 86 -10.300 -3.283 -4.499 1.00 0.00 S ATOM 1292 CE MET A 86 -8.746 -3.553 -5.347 1.00 0.00 C ATOM 0 H MET A 86 -9.980 1.370 -5.768 1.00 0.00 H new ATOM 0 HA MET A 86 -12.686 0.532 -6.467 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.492 -1.641 -5.451 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.264 -1.521 -6.696 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.542 -1.069 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.750 -1.058 -3.738 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.445 -4.594 -5.233 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.865 -3.324 -6.406 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.981 -2.905 -4.919 1.00 0.00 H new ATOM 1302 N THR A 87 -13.379 0.870 -4.040 1.00 0.00 N ATOM 1303 CA THR A 87 -13.794 1.387 -2.742 1.00 0.00 C ATOM 1304 C THR A 87 -13.393 0.438 -1.618 1.00 0.00 C ATOM 1305 O THR A 87 -13.171 -0.750 -1.846 1.00 0.00 O ATOM 1306 CB THR A 87 -15.317 1.614 -2.688 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.004 0.405 -3.028 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.732 2.725 -3.640 1.00 0.00 C ATOM 0 H THR A 87 -14.133 0.458 -4.590 1.00 0.00 H new ATOM 0 HA THR A 87 -13.287 2.342 -2.606 1.00 0.00 H new ATOM 0 HB THR A 87 -15.583 1.909 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.971 0.557 -2.990 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.811 2.867 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.229 3.651 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.453 2.454 -4.658 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.302 0.972 -0.404 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.927 0.158 0.738 1.00 0.00 C ATOM 1318 C GLY A 88 -13.847 -1.032 0.928 1.00 0.00 C ATOM 1319 O GLY A 88 -13.389 -2.148 1.174 1.00 0.00 O ATOM 0 H GLY A 88 -13.481 1.953 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.904 -0.195 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.941 0.772 1.638 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.150 -0.795 0.816 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.138 -1.855 0.977 1.00 0.00 C ATOM 1325 C LYS A 89 -15.975 -2.919 -0.103 1.00 0.00 C ATOM 1326 O LYS A 89 -16.155 -4.109 0.154 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.552 -1.274 0.927 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.568 -2.074 1.723 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.733 -1.208 2.172 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.996 -2.032 2.371 1.00 0.00 C ATOM 1331 NZ LYS A 89 -20.994 -2.742 3.681 1.00 0.00 N ATOM 0 H LYS A 89 -15.546 0.123 0.614 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.978 -2.322 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.529 -0.252 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.877 -1.221 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.940 -2.899 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.084 -2.514 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.475 -0.704 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.917 -0.431 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.868 -1.380 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.086 -2.759 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.871 -3.292 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.176 -3.383 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.933 -2.047 4.452 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.632 -2.483 -1.311 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.445 -3.400 -2.429 1.00 0.00 C ATOM 1347 C GLU A 90 -14.149 -4.191 -2.272 1.00 0.00 C ATOM 1348 O GLU A 90 -13.995 -5.268 -2.847 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.428 -2.630 -3.751 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.811 -2.244 -4.248 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.518 -3.386 -4.952 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -17.047 -3.799 -6.032 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.543 -3.866 -4.423 1.00 0.00 O ATOM 0 H GLU A 90 -15.478 -1.501 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.280 -4.101 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.830 -1.727 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.935 -3.238 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.416 -1.912 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.725 -1.399 -4.931 1.00 0.00 H new ATOM 1360 N MET A 91 -13.222 -3.648 -1.490 1.00 0.00 N ATOM 1361 CA MET A 91 -11.940 -4.304 -1.257 1.00 0.00 C ATOM 1362 C MET A 91 -11.985 -5.150 0.011 1.00 0.00 C ATOM 1363 O MET A 91 -11.156 -6.039 0.205 1.00 0.00 O ATOM 1364 CB MET A 91 -10.823 -3.264 -1.151 1.00 0.00 C ATOM 1365 CG MET A 91 -9.429 -3.855 -1.274 1.00 0.00 C ATOM 1366 SD MET A 91 -8.239 -2.691 -1.968 1.00 0.00 S ATOM 1367 CE MET A 91 -7.045 -2.593 -0.638 1.00 0.00 C ATOM 0 H MET A 91 -13.334 -2.756 -1.007 1.00 0.00 H new ATOM 0 HA MET A 91 -11.737 -4.960 -2.103 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.961 -2.514 -1.930 1.00 0.00 H new ATOM 0 HB3 MET A 91 -10.907 -2.749 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.086 -4.175 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.470 -4.745 -1.903 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.805 -1.548 -0.441 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.464 -3.045 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.138 -3.126 -0.923 1.00 0.00 H new ATOM 1377 N ALA A 92 -12.958 -4.867 0.872 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.111 -5.604 2.120 1.00 0.00 C ATOM 1379 C ALA A 92 -14.056 -6.788 1.947 1.00 0.00 C ATOM 1380 O ALA A 92 -14.066 -7.711 2.760 1.00 0.00 O ATOM 1381 CB ALA A 92 -13.615 -4.681 3.219 1.00 0.00 C ATOM 0 H ALA A 92 -13.651 -4.133 0.728 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.133 -5.992 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.725 -5.245 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.901 -3.871 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.580 -4.265 2.931 1.00 0.00 H new ATOM 1387 N SER A 93 -14.851 -6.754 0.881 1.00 0.00 N ATOM 1388 CA SER A 93 -15.803 -7.822 0.604 1.00 0.00 C ATOM 1389 C SER A 93 -15.209 -8.842 -0.364 1.00 0.00 C ATOM 1390 O SER A 93 -15.296 -10.050 -0.142 1.00 0.00 O ATOM 1391 CB SER A 93 -17.096 -7.244 0.024 1.00 0.00 C ATOM 1392 OG SER A 93 -17.997 -6.878 1.053 1.00 0.00 O ATOM 0 H SER A 93 -14.854 -5.998 0.196 1.00 0.00 H new ATOM 0 HA SER A 93 -16.028 -8.327 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.866 -6.373 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.565 -7.979 -0.630 1.00 0.00 H new ATOM 0 HG SER A 93 -18.814 -6.510 0.657 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.605 -8.346 -1.439 1.00 0.00 N ATOM 1399 CA VAL A 94 -13.996 -9.212 -2.441 1.00 0.00 C ATOM 1400 C VAL A 94 -13.104 -10.263 -1.790 1.00 0.00 C ATOM 1401 O VAL A 94 -12.383 -9.975 -0.835 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.162 -8.401 -3.451 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.849 -7.956 -2.825 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.912 -9.216 -4.711 1.00 0.00 C ATOM 0 H VAL A 94 -14.524 -7.349 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.811 -9.708 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.725 -7.510 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.274 -7.385 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.054 -7.332 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.277 -8.832 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.322 -8.628 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.370 -10.126 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.865 -9.479 -5.169 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.157 -11.484 -2.314 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.349 -12.560 -1.771 1.00 0.00 C ATOM 1416 C GLY A 95 -10.865 -12.337 -1.988 1.00 0.00 C ATOM 1417 O GLY A 95 -10.045 -12.732 -1.160 1.00 0.00 O ATOM 0 H GLY A 95 -13.745 -11.747 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.547 -12.655 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.644 -13.501 -2.235 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.521 -11.703 -3.104 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.125 -11.431 -3.428 1.00 0.00 C ATOM 1423 C GLU A 96 -9.017 -10.498 -4.631 1.00 0.00 C ATOM 1424 O GLU A 96 -9.723 -10.646 -5.628 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.380 -12.737 -3.713 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.872 -12.621 -3.570 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.179 -13.970 -3.583 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.745 -14.921 -4.164 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.073 -14.075 -3.014 1.00 0.00 O ATOM 0 H GLU A 96 -11.189 -11.368 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.668 -10.941 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.743 -13.508 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.616 -13.067 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.480 -12.008 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.638 -12.105 -2.639 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.112 -9.513 -4.536 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.889 -8.537 -5.606 1.00 0.00 C ATOM 1438 C PRO A 97 -7.228 -9.159 -6.831 1.00 0.00 C ATOM 1439 O PRO A 97 -7.026 -10.373 -6.890 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.958 -7.508 -4.960 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.252 -8.259 -3.885 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.235 -9.277 -3.376 1.00 0.00 C ATOM 0 HA PRO A 97 -8.824 -8.115 -5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.254 -7.100 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.519 -6.667 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.355 -8.742 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.934 -7.590 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.737 -10.192 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.794 -8.902 -2.519 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.891 -8.322 -7.806 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.250 -8.791 -9.029 1.00 0.00 C ATOM 1452 C ASP A 98 -4.779 -8.388 -9.060 1.00 0.00 C ATOM 1453 O ASP A 98 -4.449 -7.202 -9.077 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.972 -8.230 -10.255 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.488 -8.857 -11.548 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.263 -9.044 -11.695 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.336 -9.160 -12.414 1.00 0.00 O ATOM 0 H ASP A 98 -7.051 -7.315 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.310 -9.879 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.044 -8.399 -10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.823 -7.151 -10.299 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.898 -9.383 -9.067 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.462 -9.134 -9.096 1.00 0.00 C ATOM 1464 C LYS A 99 -2.143 -7.886 -9.912 1.00 0.00 C ATOM 1465 O LYS A 99 -1.579 -6.921 -9.395 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.726 -10.341 -9.682 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.298 -10.483 -9.185 1.00 0.00 C ATOM 1468 CD LYS A 99 0.672 -9.688 -10.041 1.00 0.00 C ATOM 1469 CE LYS A 99 2.109 -10.136 -9.819 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.022 -9.614 -10.873 1.00 0.00 N ATOM 0 H LYS A 99 -4.154 -10.370 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.126 -8.973 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.279 -11.248 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.717 -10.258 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.236 -10.142 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.012 -11.535 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.412 -9.806 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.580 -8.627 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.449 -9.794 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.152 -11.225 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.991 -9.941 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.713 -9.961 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.001 -8.574 -10.867 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.508 -7.910 -11.189 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.262 -6.779 -12.077 1.00 0.00 C ATOM 1486 C LEU A 100 -2.766 -5.480 -11.457 1.00 0.00 C ATOM 1487 O LEU A 100 -1.977 -4.637 -11.031 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.941 -7.009 -13.429 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.251 -7.999 -14.367 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.146 -8.325 -15.552 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.917 -7.442 -14.842 1.00 0.00 C ATOM 0 H LEU A 100 -2.975 -8.700 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.186 -6.695 -12.227 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.957 -7.359 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.021 -6.050 -13.941 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.063 -8.920 -13.816 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.638 -9.031 -16.208 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.076 -8.767 -15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.367 -7.411 -16.104 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.440 -8.160 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.083 -6.506 -15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.272 -7.260 -13.982 1.00 0.00 H new ATOM 1503 N SER A 101 -4.085 -5.326 -11.407 1.00 0.00 N ATOM 1504 CA SER A 101 -4.695 -4.129 -10.840 1.00 0.00 C ATOM 1505 C SER A 101 -3.925 -3.659 -9.610 1.00 0.00 C ATOM 1506 O SER A 101 -3.507 -2.504 -9.530 1.00 0.00 O ATOM 1507 CB SER A 101 -6.154 -4.400 -10.470 1.00 0.00 C ATOM 1508 OG SER A 101 -6.924 -4.703 -11.621 1.00 0.00 O ATOM 0 H SER A 101 -4.752 -6.016 -11.753 1.00 0.00 H new ATOM 0 HA SER A 101 -4.660 -3.341 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.206 -5.230 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.573 -3.528 -9.967 1.00 0.00 H new ATOM 0 HG SER A 101 -7.852 -4.874 -11.358 1.00 0.00 H new ATOM 1514 N MET A 102 -3.743 -4.563 -8.652 1.00 0.00 N ATOM 1515 CA MET A 102 -3.023 -4.241 -7.425 1.00 0.00 C ATOM 1516 C MET A 102 -1.684 -3.582 -7.738 1.00 0.00 C ATOM 1517 O MET A 102 -1.466 -2.414 -7.417 1.00 0.00 O ATOM 1518 CB MET A 102 -2.801 -5.506 -6.593 1.00 0.00 C ATOM 1519 CG MET A 102 -4.076 -6.065 -5.984 1.00 0.00 C ATOM 1520 SD MET A 102 -5.003 -4.827 -5.056 1.00 0.00 S ATOM 1521 CE MET A 102 -3.870 -4.496 -3.709 1.00 0.00 C ATOM 0 H MET A 102 -4.084 -5.523 -8.702 1.00 0.00 H new ATOM 0 HA MET A 102 -3.628 -3.539 -6.851 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.344 -6.269 -7.223 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.093 -5.286 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.707 -6.467 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.825 -6.896 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.363 -3.872 -2.964 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.565 -5.437 -3.251 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.991 -3.977 -4.092 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.789 -4.338 -8.366 1.00 0.00 N ATOM 1532 CA VAL A 103 0.529 -3.827 -8.722 1.00 0.00 C ATOM 1533 C VAL A 103 0.424 -2.474 -9.417 1.00 0.00 C ATOM 1534 O VAL A 103 0.941 -1.471 -8.925 1.00 0.00 O ATOM 1535 CB VAL A 103 1.281 -4.807 -9.642 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.585 -4.190 -10.127 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.539 -6.122 -8.922 1.00 0.00 C ATOM 0 H VAL A 103 -0.953 -5.307 -8.639 1.00 0.00 H new ATOM 0 HA VAL A 103 1.086 -3.713 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 103 0.658 -5.012 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.103 -4.897 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.371 -3.277 -10.683 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.216 -3.954 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.071 -6.802 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.142 -5.938 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.589 -6.569 -8.630 1.00 0.00 H new ATOM 1547 N MET A 104 -0.249 -2.454 -10.562 1.00 0.00 N ATOM 1548 CA MET A 104 -0.424 -1.222 -11.324 1.00 0.00 C ATOM 1549 C MET A 104 -0.788 -0.061 -10.404 1.00 0.00 C ATOM 1550 O MET A 104 -0.157 0.995 -10.443 1.00 0.00 O ATOM 1551 CB MET A 104 -1.508 -1.405 -12.388 1.00 0.00 C ATOM 1552 CG MET A 104 -1.080 -2.290 -13.547 1.00 0.00 C ATOM 1553 SD MET A 104 -1.965 -1.915 -15.072 1.00 0.00 S ATOM 1554 CE MET A 104 -3.595 -2.547 -14.681 1.00 0.00 C ATOM 0 H MET A 104 -0.682 -3.276 -10.983 1.00 0.00 H new ATOM 0 HA MET A 104 0.521 -0.990 -11.815 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.394 -1.835 -11.921 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.794 -0.427 -12.775 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.010 -2.170 -13.714 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.247 -3.334 -13.282 1.00 0.00 H new ATOM 0 HE1 MET A 104 -4.260 -2.388 -15.530 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.530 -3.614 -14.466 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.988 -2.024 -13.809 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.809 -0.263 -9.579 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.258 0.768 -8.651 1.00 0.00 C ATOM 1566 C TYR A 105 -1.146 1.148 -7.679 1.00 0.00 C ATOM 1567 O TYR A 105 -0.696 2.294 -7.648 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.486 0.287 -7.877 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.818 1.143 -6.675 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.624 2.268 -6.800 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.326 0.826 -5.415 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.929 3.053 -5.705 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.627 1.605 -4.314 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.428 2.717 -4.464 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.731 3.496 -3.371 1.00 0.00 O ATOM 0 H TYR A 105 -2.342 -1.132 -9.534 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.526 1.651 -9.231 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.344 0.270 -8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.319 -0.738 -7.547 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -5.019 2.533 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.698 -0.044 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.556 3.925 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.237 1.344 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.960 4.058 -3.146 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.707 0.178 -6.885 1.00 0.00 N ATOM 1586 CA LEU A 106 0.354 0.408 -5.910 1.00 0.00 C ATOM 1587 C LEU A 106 1.478 1.242 -6.516 1.00 0.00 C ATOM 1588 O LEU A 106 1.910 2.238 -5.934 1.00 0.00 O ATOM 1589 CB LEU A 106 0.908 -0.925 -5.406 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.018 -1.738 -4.500 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.442 -3.185 -4.426 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.077 -1.124 -3.109 1.00 0.00 C ATOM 0 H LEU A 106 -1.069 -0.775 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.071 0.959 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.168 -1.537 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.833 -0.729 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.021 -1.719 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.229 -3.747 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.431 -3.622 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.454 -3.225 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.740 -1.715 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.922 -1.112 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.455 -0.104 -3.177 1.00 0.00 H new ATOM 1604 N THR A 107 1.948 0.831 -7.690 1.00 0.00 N ATOM 1605 CA THR A 107 3.020 1.540 -8.375 1.00 0.00 C ATOM 1606 C THR A 107 2.915 3.045 -8.153 1.00 0.00 C ATOM 1607 O THR A 107 3.869 3.684 -7.713 1.00 0.00 O ATOM 1608 CB THR A 107 3.006 1.254 -9.889 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.818 -0.146 -10.121 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.303 1.712 -10.538 1.00 0.00 C ATOM 0 H THR A 107 1.602 0.010 -8.186 1.00 0.00 H new ATOM 0 HA THR A 107 3.957 1.178 -7.953 1.00 0.00 H new ATOM 0 HB THR A 107 2.180 1.809 -10.334 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.892 -0.390 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.270 1.500 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.428 2.784 -10.385 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.142 1.181 -10.088 1.00 0.00 H new ATOM 1618 N GLN A 108 1.748 3.603 -8.459 1.00 0.00 N ATOM 1619 CA GLN A 108 1.519 5.033 -8.292 1.00 0.00 C ATOM 1620 C GLN A 108 2.218 5.554 -7.041 1.00 0.00 C ATOM 1621 O GLN A 108 2.933 6.555 -7.088 1.00 0.00 O ATOM 1622 CB GLN A 108 0.019 5.325 -8.211 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.754 4.879 -9.442 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.197 5.344 -9.424 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.495 6.496 -9.742 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.103 4.448 -9.050 1.00 0.00 N ATOM 0 H GLN A 108 0.947 3.087 -8.824 1.00 0.00 H new ATOM 0 HA GLN A 108 1.936 5.545 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.393 4.827 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.127 6.396 -8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.263 5.266 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.727 3.791 -9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.812 3.504 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.090 4.703 -9.018 1.00 0.00 H new ATOM 1635 N PHE A 109 2.007 4.869 -5.922 1.00 0.00 N ATOM 1636 CA PHE A 109 2.616 5.263 -4.657 1.00 0.00 C ATOM 1637 C PHE A 109 4.139 5.231 -4.753 1.00 0.00 C ATOM 1638 O PHE A 109 4.810 6.224 -4.474 1.00 0.00 O ATOM 1639 CB PHE A 109 2.145 4.341 -3.531 1.00 0.00 C ATOM 1640 CG PHE A 109 0.738 4.613 -3.081 1.00 0.00 C ATOM 1641 CD1 PHE A 109 0.454 5.700 -2.271 1.00 0.00 C ATOM 1642 CD2 PHE A 109 -0.300 3.782 -3.470 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -0.840 5.954 -1.856 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.596 4.031 -3.058 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.866 5.117 -2.250 1.00 0.00 C ATOM 0 H PHE A 109 1.418 4.038 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 109 2.305 6.284 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.217 3.306 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.817 4.448 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.253 6.357 -1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.095 2.931 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.048 6.805 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.397 3.376 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.878 5.312 -1.926 1.00 0.00 H new ATOM 1655 N TYR A 110 4.676 4.083 -5.150 1.00 0.00 N ATOM 1656 CA TYR A 110 6.119 3.919 -5.281 1.00 0.00 C ATOM 1657 C TYR A 110 6.715 5.015 -6.158 1.00 0.00 C ATOM 1658 O TYR A 110 7.603 5.752 -5.731 1.00 0.00 O ATOM 1659 CB TYR A 110 6.446 2.545 -5.869 1.00 0.00 C ATOM 1660 CG TYR A 110 7.739 2.515 -6.653 1.00 0.00 C ATOM 1661 CD1 TYR A 110 7.777 2.912 -7.983 1.00 0.00 C ATOM 1662 CD2 TYR A 110 8.922 2.087 -6.063 1.00 0.00 C ATOM 1663 CE1 TYR A 110 8.956 2.885 -8.704 1.00 0.00 C ATOM 1664 CE2 TYR A 110 10.105 2.059 -6.774 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.117 2.458 -8.094 1.00 0.00 C ATOM 1666 OH TYR A 110 11.294 2.430 -8.807 1.00 0.00 O ATOM 0 H TYR A 110 4.134 3.252 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 110 6.559 3.996 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.504 1.817 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.629 2.233 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.869 3.248 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.916 1.771 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.968 3.196 -9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.016 1.726 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 110 12.018 2.106 -8.231 1.00 0.00 H new ATOM 1676 N GLU A 111 6.217 5.117 -7.387 1.00 0.00 N ATOM 1677 CA GLU A 111 6.700 6.123 -8.325 1.00 0.00 C ATOM 1678 C GLU A 111 6.767 7.497 -7.663 1.00 0.00 C ATOM 1679 O GLU A 111 7.501 8.377 -8.110 1.00 0.00 O ATOM 1680 CB GLU A 111 5.793 6.182 -9.556 1.00 0.00 C ATOM 1681 CG GLU A 111 6.015 5.039 -10.531 1.00 0.00 C ATOM 1682 CD GLU A 111 7.379 5.092 -11.192 1.00 0.00 C ATOM 1683 OE1 GLU A 111 8.004 6.173 -11.176 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.821 4.052 -11.724 1.00 0.00 O ATOM 0 H GLU A 111 5.480 4.516 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 111 7.705 5.839 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.753 6.174 -9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.958 7.127 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.907 4.091 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.242 5.066 -11.299 1.00 0.00 H new ATOM 1691 N MET A 112 5.995 7.671 -6.595 1.00 0.00 N ATOM 1692 CA MET A 112 5.967 8.936 -5.871 1.00 0.00 C ATOM 1693 C MET A 112 6.973 8.929 -4.725 1.00 0.00 C ATOM 1694 O MET A 112 7.509 9.972 -4.349 1.00 0.00 O ATOM 1695 CB MET A 112 4.562 9.207 -5.330 1.00 0.00 C ATOM 1696 CG MET A 112 4.450 10.511 -4.556 1.00 0.00 C ATOM 1697 SD MET A 112 4.007 11.907 -5.608 1.00 0.00 S ATOM 1698 CE MET A 112 2.259 11.603 -5.855 1.00 0.00 C ATOM 0 H MET A 112 5.381 6.952 -6.212 1.00 0.00 H new ATOM 0 HA MET A 112 6.241 9.730 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.858 9.226 -6.162 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.266 8.382 -4.682 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.701 10.400 -3.772 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.400 10.719 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.004 11.776 -6.900 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.028 10.571 -5.591 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.680 12.277 -5.224 1.00 0.00 H new ATOM 1708 N PHE A 113 7.226 7.747 -4.172 1.00 0.00 N ATOM 1709 CA PHE A 113 8.167 7.604 -3.068 1.00 0.00 C ATOM 1710 C PHE A 113 9.387 6.793 -3.494 1.00 0.00 C ATOM 1711 O PHE A 113 10.068 6.191 -2.664 1.00 0.00 O ATOM 1712 CB PHE A 113 7.486 6.934 -1.873 1.00 0.00 C ATOM 1713 CG PHE A 113 6.280 7.677 -1.375 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.322 9.050 -1.192 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.103 7.003 -1.091 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.213 9.736 -0.734 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.991 7.684 -0.633 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.046 9.052 -0.455 1.00 0.00 C ATOM 0 H PHE A 113 6.792 6.874 -4.471 1.00 0.00 H new ATOM 0 HA PHE A 113 8.500 8.600 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.190 5.923 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.206 6.841 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.232 9.590 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.054 5.933 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.259 10.806 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.080 7.147 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.178 9.586 -0.098 1.00 0.00 H new ATOM 1728 N LYS A 114 9.657 6.781 -4.795 1.00 0.00 N ATOM 1729 CA LYS A 114 10.794 6.045 -5.334 1.00 0.00 C ATOM 1730 C LYS A 114 12.089 6.828 -5.142 1.00 0.00 C ATOM 1731 O LYS A 114 13.120 6.262 -4.780 1.00 0.00 O ATOM 1732 CB LYS A 114 10.579 5.751 -6.820 1.00 0.00 C ATOM 1733 CG LYS A 114 10.560 6.995 -7.690 1.00 0.00 C ATOM 1734 CD LYS A 114 10.273 6.655 -9.143 1.00 0.00 C ATOM 1735 CE LYS A 114 11.551 6.329 -9.902 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.213 7.555 -10.427 1.00 0.00 N ATOM 0 H LYS A 114 9.103 7.273 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 114 10.876 5.103 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.370 5.086 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.637 5.217 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.803 7.687 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.520 7.505 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.593 5.805 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.768 7.494 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.239 5.799 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.321 5.658 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.171 7.318 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.659 7.936 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.273 8.268 -9.672 1.00 0.00 H new ATOM 1750 N ASP A 115 12.028 8.132 -5.387 1.00 0.00 N ATOM 1751 CA ASP A 115 13.196 8.994 -5.239 1.00 0.00 C ATOM 1752 C ASP A 115 12.853 10.238 -4.426 1.00 0.00 C ATOM 1753 O ASP A 115 13.288 11.343 -4.750 1.00 0.00 O ATOM 1754 CB ASP A 115 13.735 9.398 -6.611 1.00 0.00 C ATOM 1755 CG ASP A 115 12.733 10.207 -7.412 1.00 0.00 C ATOM 1756 OD1 ASP A 115 12.000 11.013 -6.802 1.00 0.00 O ATOM 1757 OD2 ASP A 115 12.681 10.032 -8.648 1.00 0.00 O ATOM 0 H ASP A 115 11.182 8.616 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 115 13.965 8.435 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.648 9.980 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.004 8.502 -7.170 1.00 0.00 H new ATOM 1762 N SER A 116 12.070 10.051 -3.368 1.00 0.00 N ATOM 1763 CA SER A 116 11.665 11.159 -2.511 1.00 0.00 C ATOM 1764 C SER A 116 12.875 11.984 -2.082 1.00 0.00 C ATOM 1765 O SER A 116 14.002 11.491 -2.063 1.00 0.00 O ATOM 1766 CB SER A 116 10.928 10.635 -1.278 1.00 0.00 C ATOM 1767 OG SER A 116 10.130 11.648 -0.691 1.00 0.00 O ATOM 0 H SER A 116 11.704 9.142 -3.084 1.00 0.00 H new ATOM 0 HA SER A 116 10.993 11.800 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.300 9.790 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.650 10.268 -0.548 1.00 0.00 H new ATOM 0 HG SER A 116 9.668 11.287 0.094 1.00 0.00 H new ATOM 1773 N GLY A 117 12.631 13.245 -1.737 1.00 0.00 N ATOM 1774 CA GLY A 117 13.709 14.120 -1.313 1.00 0.00 C ATOM 1775 C GLY A 117 14.774 13.386 -0.523 1.00 0.00 C ATOM 1776 O GLY A 117 14.498 12.407 0.172 1.00 0.00 O ATOM 0 H GLY A 117 11.707 13.676 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.164 14.582 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.300 14.926 -0.704 1.00 0.00 H new ATOM 1780 N PRO A 118 16.024 13.860 -0.625 1.00 0.00 N ATOM 1781 CA PRO A 118 17.160 13.256 0.078 1.00 0.00 C ATOM 1782 C PRO A 118 17.094 13.480 1.585 1.00 0.00 C ATOM 1783 O PRO A 118 17.693 12.734 2.360 1.00 0.00 O ATOM 1784 CB PRO A 118 18.371 13.979 -0.517 1.00 0.00 C ATOM 1785 CG PRO A 118 17.837 15.288 -0.988 1.00 0.00 C ATOM 1786 CD PRO A 118 16.426 15.023 -1.435 1.00 0.00 C ATOM 0 HA PRO A 118 17.188 12.174 -0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.155 14.116 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.807 13.411 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 118 17.861 16.029 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 118 18.438 15.683 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.779 15.882 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.377 14.806 -2.502 1.00 0.00 H new ATOM 1794 N SER A 119 16.362 14.511 1.994 1.00 0.00 N ATOM 1795 CA SER A 119 16.221 14.835 3.409 1.00 0.00 C ATOM 1796 C SER A 119 15.761 13.615 4.202 1.00 0.00 C ATOM 1797 O SER A 119 14.569 13.314 4.262 1.00 0.00 O ATOM 1798 CB SER A 119 15.227 15.983 3.595 1.00 0.00 C ATOM 1799 OG SER A 119 15.831 17.232 3.309 1.00 0.00 O ATOM 0 H SER A 119 15.857 15.136 1.366 1.00 0.00 H new ATOM 0 HA SER A 119 17.196 15.145 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.367 15.833 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.853 15.982 4.619 1.00 0.00 H new ATOM 0 HG SER A 119 15.175 17.949 3.434 1.00 0.00 H new ATOM 1805 N SER A 120 16.715 12.917 4.808 1.00 0.00 N ATOM 1806 CA SER A 120 16.410 11.727 5.595 1.00 0.00 C ATOM 1807 C SER A 120 15.286 12.007 6.588 1.00 0.00 C ATOM 1808 O SER A 120 15.489 12.674 7.601 1.00 0.00 O ATOM 1809 CB SER A 120 17.657 11.249 6.340 1.00 0.00 C ATOM 1810 OG SER A 120 17.360 10.142 7.174 1.00 0.00 O ATOM 0 H SER A 120 17.706 13.154 4.770 1.00 0.00 H new ATOM 0 HA SER A 120 16.082 10.944 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.429 10.971 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.060 12.064 6.942 1.00 0.00 H new ATOM 0 HG SER A 120 18.174 9.854 7.638 1.00 0.00 H new ATOM 1816 N GLY A 121 14.098 11.489 6.289 1.00 0.00 N ATOM 1817 CA GLY A 121 12.958 11.693 7.164 1.00 0.00 C ATOM 1818 C GLY A 121 12.851 13.125 7.652 1.00 0.00 C ATOM 1819 O GLY A 121 13.120 14.064 6.904 1.00 0.00 O ATOM 0 H GLY A 121 13.905 10.932 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.044 11.424 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.038 11.025 8.022 1.00 0.00 H new TER 1823 GLY A 121