USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 5 ASN : amide:sc= -1.35 K(o=-18,f=-22!) USER MOD Set 1.2: A 8 LYS NZ :NH3+ -138:sc= -1.84! (180deg=-1.87!) USER MOD Set 1.3: A 66 THR OG1 : rot 180:sc= 0.0523 USER MOD Set 1.4: A 69 GLN : amide:sc= -14.5! C(o=-18!,f=-23!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.0485 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -164:sc= 0.554 (180deg=0.51) USER MOD Set 3.1: A 30 THR OG1 : rot -95:sc= -0.195 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -133:sc=-0.00341 (180deg=-1.09) USER MOD Set 4.1: A 18 HIS :FLIP no HE2:sc= -5.59! C(o=-8.8!,f=-7.3!) USER MOD Set 4.2: A 23 ASN : amide:sc= -1.69 K(o=-7.3,f=-12!) USER MOD Single : A 11 SER OG : rot 0:sc= 0.935 USER MOD Single : A 13 ASN : amide:sc= -8.67! C(o=-8.7!,f=-9!) USER MOD Single : A 14 CYS SG : rot 180:sc= -3.26! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.95 USER MOD Single : A 19 MET CE :methyl -138:sc= 0 (180deg=-0.108) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.49 X(o=-1.5,f=-2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0.0154 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.68! C(o=-2.9!,f=-1.7!) USER MOD Single : A 41 MET CE :methyl -166:sc= -5! (180deg=-5.98!) USER MOD Single : A 42 TYR OH : rot -130:sc= -3.19! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -4.11! C(o=-8.1!,f=-4.1!) USER MOD Single : A 52 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.41! C(o=-12!,f=-8.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.702 F(o=-2.3,f=-0.7) USER MOD Single : A 58 MET CE :methyl 172:sc= -3.04! (180deg=-3.12!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.98 F(o=-2.9!,f=-2) USER MOD Single : A 76 TYR OH : rot 70:sc= -1.57! USER MOD Single : A 80 GLN : amide:sc= -4.47! C(o=-4.5!,f=-6.1!) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 27.934 9.854 -19.505 1.00 0.00 N ATOM 14 CA ASP A 2 28.794 9.409 -18.377 1.00 0.00 C ATOM 15 C ASP A 2 29.141 7.934 -18.560 1.00 0.00 C ATOM 16 O ASP A 2 28.377 7.175 -19.120 1.00 0.00 O ATOM 17 CB ASP A 2 28.030 9.582 -17.066 1.00 0.00 C ATOM 18 CG ASP A 2 28.983 9.382 -15.887 1.00 0.00 C ATOM 19 OD1 ASP A 2 29.963 10.106 -15.814 1.00 0.00 O ATOM 20 OD2 ASP A 2 28.717 8.510 -15.076 1.00 0.00 O ATOM 0 HA ASP A 2 29.708 10.003 -18.355 1.00 0.00 H new ATOM 0 HB2 ASP A 2 27.584 10.576 -17.022 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.213 8.863 -17.012 1.00 0.00 H new ATOM 25 N LEU A 3 30.274 7.510 -18.071 1.00 0.00 N ATOM 26 CA LEU A 3 30.632 6.074 -18.205 1.00 0.00 C ATOM 27 C LEU A 3 29.730 5.262 -17.274 1.00 0.00 C ATOM 28 O LEU A 3 29.756 4.046 -17.270 1.00 0.00 O ATOM 29 CB LEU A 3 32.100 5.857 -17.833 1.00 0.00 C ATOM 30 CG LEU A 3 32.940 5.772 -19.110 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.127 6.733 -19.007 1.00 0.00 C ATOM 32 CD2 LEU A 3 33.457 4.342 -19.288 1.00 0.00 C ATOM 0 H LEU A 3 30.960 8.091 -17.589 1.00 0.00 H new ATOM 0 HA LEU A 3 30.491 5.752 -19.237 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.453 6.676 -17.206 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.208 4.941 -17.252 1.00 0.00 H new ATOM 0 HG LEU A 3 32.324 6.046 -19.967 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.725 6.672 -19.917 1.00 0.00 H new ATOM 0 HD12 LEU A 3 33.760 7.752 -18.881 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.742 6.461 -18.150 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.055 4.282 -20.197 1.00 0.00 H new ATOM 0 HD22 LEU A 3 34.072 4.068 -18.431 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.613 3.657 -19.363 1.00 0.00 H new ATOM 44 N ALA A 4 28.907 5.927 -16.503 1.00 0.00 N ATOM 45 CA ALA A 4 27.982 5.205 -15.606 1.00 0.00 C ATOM 46 C ALA A 4 27.039 4.414 -16.495 1.00 0.00 C ATOM 47 O ALA A 4 26.574 3.341 -16.160 1.00 0.00 O ATOM 48 CB ALA A 4 27.186 6.219 -14.782 1.00 0.00 C ATOM 0 H ALA A 4 28.843 6.944 -16.463 1.00 0.00 H new ATOM 0 HA ALA A 4 28.520 4.547 -14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 4 26.501 5.691 -14.118 1.00 0.00 H new ATOM 0 HB2 ALA A 4 27.872 6.825 -14.189 1.00 0.00 H new ATOM 0 HB3 ALA A 4 26.617 6.865 -15.451 1.00 0.00 H new ATOM 54 N ASN A 5 26.782 4.953 -17.650 1.00 0.00 N ATOM 55 CA ASN A 5 25.900 4.285 -18.631 1.00 0.00 C ATOM 56 C ASN A 5 26.644 3.075 -19.202 1.00 0.00 C ATOM 57 O ASN A 5 26.055 2.098 -19.612 1.00 0.00 O ATOM 58 CB ASN A 5 25.589 5.286 -19.739 1.00 0.00 C ATOM 59 CG ASN A 5 24.083 5.555 -19.780 1.00 0.00 C ATOM 60 OD1 ASN A 5 23.339 5.039 -18.968 1.00 0.00 O ATOM 61 ND2 ASN A 5 23.598 6.349 -20.695 1.00 0.00 N ATOM 0 H ASN A 5 27.157 5.850 -17.959 1.00 0.00 H new ATOM 0 HA ASN A 5 24.971 3.949 -18.170 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.130 6.216 -19.565 1.00 0.00 H new ATOM 0 HB3 ASN A 5 25.925 4.896 -20.700 1.00 0.00 H new ATOM 0 HD21 ASN A 5 22.596 6.536 -20.729 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.221 6.782 -21.377 1.00 0.00 H new ATOM 68 N GLY A 6 27.946 3.131 -19.201 1.00 0.00 N ATOM 69 CA GLY A 6 28.746 1.986 -19.708 1.00 0.00 C ATOM 70 C GLY A 6 28.419 0.765 -18.850 1.00 0.00 C ATOM 71 O GLY A 6 27.890 -0.212 -19.329 1.00 0.00 O ATOM 0 H GLY A 6 28.492 3.926 -18.869 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.511 1.791 -20.754 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.811 2.213 -19.658 1.00 0.00 H new ATOM 75 N ALA A 7 28.746 0.823 -17.585 1.00 0.00 N ATOM 76 CA ALA A 7 28.478 -0.326 -16.671 1.00 0.00 C ATOM 77 C ALA A 7 27.124 -0.927 -17.005 1.00 0.00 C ATOM 78 O ALA A 7 26.926 -2.122 -16.930 1.00 0.00 O ATOM 79 CB ALA A 7 28.499 0.161 -15.223 1.00 0.00 C ATOM 0 H ALA A 7 29.192 1.626 -17.142 1.00 0.00 H new ATOM 0 HA ALA A 7 29.246 -1.088 -16.798 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.303 -0.677 -14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 7 29.477 0.586 -14.996 1.00 0.00 H new ATOM 0 HB3 ALA A 7 27.732 0.923 -15.084 1.00 0.00 H new ATOM 85 N LYS A 8 26.201 -0.112 -17.403 1.00 0.00 N ATOM 86 CA LYS A 8 24.871 -0.642 -17.779 1.00 0.00 C ATOM 87 C LYS A 8 25.053 -1.477 -19.045 1.00 0.00 C ATOM 88 O LYS A 8 24.657 -2.622 -19.117 1.00 0.00 O ATOM 89 CB LYS A 8 23.918 0.528 -18.044 1.00 0.00 C ATOM 90 CG LYS A 8 22.755 0.093 -18.961 1.00 0.00 C ATOM 91 CD LYS A 8 22.839 0.806 -20.322 1.00 0.00 C ATOM 92 CE LYS A 8 23.215 2.272 -20.118 1.00 0.00 C ATOM 93 NZ LYS A 8 22.266 3.145 -20.864 1.00 0.00 N ATOM 0 H LYS A 8 26.308 0.899 -17.485 1.00 0.00 H new ATOM 0 HA LYS A 8 24.449 -1.255 -16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.522 0.901 -17.099 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.464 1.350 -18.507 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.786 -0.987 -19.108 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.803 0.323 -18.483 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.580 0.316 -20.954 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.882 0.735 -20.839 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.192 2.518 -19.056 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.234 2.447 -20.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.792 3.911 -21.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.767 2.582 -21.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.575 3.552 -20.202 1.00 0.00 H new ATOM 107 N VAL A 9 25.664 -0.900 -20.040 1.00 0.00 N ATOM 108 CA VAL A 9 25.898 -1.633 -21.310 1.00 0.00 C ATOM 109 C VAL A 9 26.578 -2.971 -21.033 1.00 0.00 C ATOM 110 O VAL A 9 26.087 -4.012 -21.417 1.00 0.00 O ATOM 111 CB VAL A 9 26.809 -0.812 -22.217 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.892 -1.497 -23.580 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.240 0.593 -22.384 1.00 0.00 C ATOM 0 H VAL A 9 26.014 0.058 -20.026 1.00 0.00 H new ATOM 0 HA VAL A 9 24.935 -1.802 -21.791 1.00 0.00 H new ATOM 0 HB VAL A 9 27.803 -0.741 -21.775 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.541 -0.920 -24.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 27.299 -2.501 -23.459 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.895 -1.560 -24.017 1.00 0.00 H new ATOM 0 HG21 VAL A 9 26.894 1.176 -23.033 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.247 0.533 -22.830 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.172 1.076 -21.409 1.00 0.00 H new ATOM 123 N PHE A 10 27.720 -2.960 -20.395 1.00 0.00 N ATOM 124 CA PHE A 10 28.415 -4.240 -20.139 1.00 0.00 C ATOM 125 C PHE A 10 27.530 -5.173 -19.311 1.00 0.00 C ATOM 126 O PHE A 10 27.582 -6.378 -19.448 1.00 0.00 O ATOM 127 CB PHE A 10 29.688 -3.993 -19.377 1.00 0.00 C ATOM 128 CG PHE A 10 30.398 -5.286 -19.195 1.00 0.00 C ATOM 129 CD1 PHE A 10 29.914 -6.179 -18.256 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.524 -5.596 -19.959 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.548 -7.396 -18.071 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.166 -6.816 -19.773 1.00 0.00 C ATOM 133 CZ PHE A 10 31.677 -7.724 -18.828 1.00 0.00 C ATOM 0 H PHE A 10 28.191 -2.125 -20.046 1.00 0.00 H new ATOM 0 HA PHE A 10 28.637 -4.702 -21.101 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.320 -3.288 -19.917 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.467 -3.545 -18.408 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.043 -5.928 -17.668 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.895 -4.893 -20.690 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.169 -8.094 -17.339 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.040 -7.062 -20.357 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.169 -8.674 -18.684 1.00 0.00 H new ATOM 143 N SER A 11 26.737 -4.625 -18.433 1.00 0.00 N ATOM 144 CA SER A 11 25.869 -5.479 -17.570 1.00 0.00 C ATOM 145 C SER A 11 24.513 -5.690 -18.237 1.00 0.00 C ATOM 146 O SER A 11 23.535 -6.008 -17.590 1.00 0.00 O ATOM 147 CB SER A 11 25.670 -4.794 -16.218 1.00 0.00 C ATOM 148 OG SER A 11 24.611 -5.430 -15.518 1.00 0.00 O ATOM 0 H SER A 11 26.651 -3.621 -18.274 1.00 0.00 H new ATOM 0 HA SER A 11 26.349 -6.447 -17.426 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.589 -4.845 -15.634 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.442 -3.738 -16.363 1.00 0.00 H new ATOM 0 HG SER A 11 24.251 -6.161 -16.063 1.00 0.00 H new ATOM 154 N GLY A 12 24.442 -5.513 -19.523 1.00 0.00 N ATOM 155 CA GLY A 12 23.150 -5.701 -20.220 1.00 0.00 C ATOM 156 C GLY A 12 23.348 -6.372 -21.588 1.00 0.00 C ATOM 157 O GLY A 12 22.390 -6.734 -22.240 1.00 0.00 O ATOM 0 H GLY A 12 25.225 -5.246 -20.120 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.488 -6.311 -19.605 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.662 -4.736 -20.353 1.00 0.00 H new ATOM 161 N ASN A 13 24.562 -6.533 -22.047 1.00 0.00 N ATOM 162 CA ASN A 13 24.750 -7.170 -23.386 1.00 0.00 C ATOM 163 C ASN A 13 26.068 -7.953 -23.457 1.00 0.00 C ATOM 164 O ASN A 13 26.423 -8.464 -24.500 1.00 0.00 O ATOM 165 CB ASN A 13 24.775 -6.078 -24.460 1.00 0.00 C ATOM 166 CG ASN A 13 23.883 -4.911 -24.032 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.678 -4.966 -24.179 1.00 0.00 O ATOM 168 ND2 ASN A 13 24.428 -3.848 -23.507 1.00 0.00 N ATOM 0 H ASN A 13 25.417 -6.257 -21.564 1.00 0.00 H new ATOM 0 HA ASN A 13 23.925 -7.863 -23.550 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.796 -5.730 -24.614 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.429 -6.482 -25.411 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.843 -3.064 -23.220 1.00 0.00 H new ATOM 0 HD22 ASN A 13 25.439 -3.802 -23.383 1.00 0.00 H new ATOM 175 N CYS A 14 26.810 -8.044 -22.387 1.00 0.00 N ATOM 176 CA CYS A 14 28.112 -8.779 -22.464 1.00 0.00 C ATOM 177 C CYS A 14 28.261 -9.752 -21.295 1.00 0.00 C ATOM 178 O CYS A 14 28.685 -10.874 -21.472 1.00 0.00 O ATOM 179 CB CYS A 14 29.271 -7.776 -22.418 1.00 0.00 C ATOM 180 SG CYS A 14 28.714 -6.146 -22.986 1.00 0.00 S ATOM 0 H CYS A 14 26.579 -7.649 -21.475 1.00 0.00 H new ATOM 0 HA CYS A 14 28.130 -9.340 -23.398 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.657 -7.702 -21.401 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.090 -8.127 -23.045 1.00 0.00 H new ATOM 0 HG CYS A 14 29.706 -5.308 -22.939 1.00 0.00 H new ATOM 185 N ALA A 15 27.944 -9.311 -20.108 1.00 0.00 N ATOM 186 CA ALA A 15 28.074 -10.177 -18.894 1.00 0.00 C ATOM 187 C ALA A 15 27.934 -11.665 -19.255 1.00 0.00 C ATOM 188 O ALA A 15 28.692 -12.497 -18.796 1.00 0.00 O ATOM 189 CB ALA A 15 26.982 -9.795 -17.895 1.00 0.00 C ATOM 0 H ALA A 15 27.594 -8.371 -19.922 1.00 0.00 H new ATOM 0 HA ALA A 15 29.062 -10.023 -18.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.067 -10.420 -17.006 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.096 -8.748 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.003 -9.944 -18.351 1.00 0.00 H new ATOM 195 N ALA A 16 26.972 -12.006 -20.069 1.00 0.00 N ATOM 196 CA ALA A 16 26.781 -13.439 -20.449 1.00 0.00 C ATOM 197 C ALA A 16 28.018 -13.977 -21.184 1.00 0.00 C ATOM 198 O ALA A 16 28.575 -14.990 -20.813 1.00 0.00 O ATOM 199 CB ALA A 16 25.554 -13.560 -21.357 1.00 0.00 C ATOM 0 H ALA A 16 26.308 -11.355 -20.489 1.00 0.00 H new ATOM 0 HA ALA A 16 26.635 -14.026 -19.542 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.410 -14.604 -21.637 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.672 -13.202 -20.826 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.705 -12.961 -22.255 1.00 0.00 H new ATOM 205 N CYS A 17 28.448 -13.316 -22.224 1.00 0.00 N ATOM 206 CA CYS A 17 29.641 -13.799 -22.978 1.00 0.00 C ATOM 207 C CYS A 17 30.882 -13.097 -22.470 1.00 0.00 C ATOM 208 O CYS A 17 31.856 -12.943 -23.181 1.00 0.00 O ATOM 209 CB CYS A 17 29.480 -13.473 -24.445 1.00 0.00 C ATOM 210 SG CYS A 17 28.069 -14.388 -25.119 1.00 0.00 S ATOM 0 H CYS A 17 28.024 -12.461 -22.585 1.00 0.00 H new ATOM 0 HA CYS A 17 29.734 -14.876 -22.839 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.327 -12.402 -24.575 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.388 -13.734 -24.988 1.00 0.00 H new ATOM 0 HG CYS A 17 27.931 -14.105 -26.380 1.00 0.00 H new ATOM 215 N HIS A 18 30.857 -12.643 -21.260 1.00 0.00 N ATOM 216 CA HIS A 18 32.039 -11.923 -20.738 1.00 0.00 C ATOM 217 C HIS A 18 32.046 -11.981 -19.213 1.00 0.00 C ATOM 218 O HIS A 18 32.836 -12.675 -18.606 1.00 0.00 O ATOM 219 CB HIS A 18 31.947 -10.473 -21.208 1.00 0.00 C ATOM 220 CG HIS A 18 32.572 -10.342 -22.551 1.00 0.00 C ATOM 221 ND1 HIS A 18 32.044 -10.208 -23.806 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 33.940 -10.324 -22.705 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 33.077 -10.114 -24.733 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 34.197 -10.189 -24.009 1.00 0.00 N flip ATOM 0 H HIS A 18 30.075 -12.737 -20.611 1.00 0.00 H new ATOM 0 HA HIS A 18 32.959 -12.380 -21.102 1.00 0.00 H new ATOM 0 HB2 HIS A 18 30.904 -10.159 -21.249 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.449 -9.817 -20.497 1.00 0.00 H new ATOM 0 HD1 HIS A 18 31.049 -10.181 -24.027 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.672 -10.404 -21.915 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.992 -10.004 -25.804 1.00 0.00 H new ATOM 232 N MET A 19 31.159 -11.257 -18.601 1.00 0.00 N ATOM 233 CA MET A 19 31.076 -11.249 -17.109 1.00 0.00 C ATOM 234 C MET A 19 32.475 -11.159 -16.491 1.00 0.00 C ATOM 235 O MET A 19 33.183 -12.141 -16.385 1.00 0.00 O ATOM 236 CB MET A 19 30.396 -12.523 -16.634 1.00 0.00 C ATOM 237 CG MET A 19 29.088 -12.171 -15.921 1.00 0.00 C ATOM 238 SD MET A 19 28.509 -13.609 -14.987 1.00 0.00 S ATOM 239 CE MET A 19 29.535 -13.352 -13.519 1.00 0.00 C ATOM 0 H MET A 19 30.477 -10.661 -19.071 1.00 0.00 H new ATOM 0 HA MET A 19 30.498 -10.379 -16.796 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.195 -13.178 -17.482 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.055 -13.069 -15.959 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.242 -11.326 -15.250 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.335 -11.868 -16.648 1.00 0.00 H new ATOM 0 HE1 MET A 19 29.938 -14.308 -13.185 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.356 -12.677 -13.762 1.00 0.00 H new ATOM 0 HE3 MET A 19 28.930 -12.916 -12.724 1.00 0.00 H new ATOM 249 N GLY A 20 32.875 -9.990 -16.066 1.00 0.00 N ATOM 250 CA GLY A 20 34.223 -9.841 -15.443 1.00 0.00 C ATOM 251 C GLY A 20 35.297 -9.869 -16.532 1.00 0.00 C ATOM 252 O GLY A 20 36.260 -10.605 -16.443 1.00 0.00 O ATOM 0 H GLY A 20 32.327 -9.132 -16.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.277 -8.904 -14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.395 -10.645 -14.727 1.00 0.00 H new ATOM 256 N GLY A 21 35.135 -9.068 -17.551 1.00 0.00 N ATOM 257 CA GLY A 21 36.135 -9.031 -18.655 1.00 0.00 C ATOM 258 C GLY A 21 36.651 -10.442 -18.937 1.00 0.00 C ATOM 259 O GLY A 21 37.839 -10.662 -19.075 1.00 0.00 O ATOM 0 H GLY A 21 34.345 -8.433 -17.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.682 -8.614 -19.554 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.965 -8.378 -18.384 1.00 0.00 H new ATOM 263 N GLY A 22 35.772 -11.401 -19.021 1.00 0.00 N ATOM 264 CA GLY A 22 36.220 -12.793 -19.292 1.00 0.00 C ATOM 265 C GLY A 22 35.443 -13.353 -20.484 1.00 0.00 C ATOM 266 O GLY A 22 34.307 -13.765 -20.358 1.00 0.00 O ATOM 0 H GLY A 22 34.765 -11.281 -18.914 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.290 -12.808 -19.501 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.058 -13.417 -18.413 1.00 0.00 H new ATOM 270 N ASN A 23 36.044 -13.371 -21.644 1.00 0.00 N ATOM 271 CA ASN A 23 35.331 -13.904 -22.838 1.00 0.00 C ATOM 272 C ASN A 23 34.651 -15.228 -22.477 1.00 0.00 C ATOM 273 O ASN A 23 34.942 -15.828 -21.461 1.00 0.00 O ATOM 274 CB ASN A 23 36.330 -14.145 -23.971 1.00 0.00 C ATOM 275 CG ASN A 23 35.580 -14.200 -25.303 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.756 -15.122 -26.073 1.00 0.00 O ATOM 277 ND2 ASN A 23 34.747 -13.244 -25.607 1.00 0.00 N ATOM 0 H ASN A 23 36.994 -13.041 -21.815 1.00 0.00 H new ATOM 0 HA ASN A 23 34.582 -13.181 -23.161 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.073 -13.348 -23.992 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.868 -15.078 -23.805 1.00 0.00 H new ATOM 0 HD21 ASN A 23 34.242 -13.270 -26.493 1.00 0.00 H new ATOM 0 HD22 ASN A 23 34.600 -12.470 -24.959 1.00 0.00 H new ATOM 284 N VAL A 24 33.751 -15.693 -23.301 1.00 0.00 N ATOM 285 CA VAL A 24 33.065 -16.981 -23.003 1.00 0.00 C ATOM 286 C VAL A 24 33.506 -18.034 -24.024 1.00 0.00 C ATOM 287 O VAL A 24 33.733 -19.180 -23.688 1.00 0.00 O ATOM 288 CB VAL A 24 31.545 -16.787 -23.083 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.198 -15.968 -24.327 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.857 -18.152 -23.164 1.00 0.00 C ATOM 0 H VAL A 24 33.462 -15.237 -24.166 1.00 0.00 H new ATOM 0 HA VAL A 24 33.330 -17.313 -21.999 1.00 0.00 H new ATOM 0 HB VAL A 24 31.202 -16.260 -22.193 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.118 -15.831 -24.383 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.685 -14.995 -24.269 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.543 -16.494 -25.217 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.777 -18.013 -23.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.202 -18.681 -24.052 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.101 -18.736 -22.277 1.00 0.00 H new ATOM 300 N VAL A 25 33.631 -17.656 -25.267 1.00 0.00 N ATOM 301 CA VAL A 25 34.058 -18.635 -26.305 1.00 0.00 C ATOM 302 C VAL A 25 35.583 -18.591 -26.443 1.00 0.00 C ATOM 303 O VAL A 25 36.277 -19.507 -26.048 1.00 0.00 O ATOM 304 CB VAL A 25 33.406 -18.276 -27.642 1.00 0.00 C ATOM 305 CG1 VAL A 25 33.431 -19.499 -28.561 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.955 -17.843 -27.407 1.00 0.00 C ATOM 0 H VAL A 25 33.456 -16.711 -25.608 1.00 0.00 H new ATOM 0 HA VAL A 25 33.750 -19.639 -26.014 1.00 0.00 H new ATOM 0 HB VAL A 25 33.956 -17.457 -28.107 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.967 -19.247 -29.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.463 -19.807 -28.729 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.881 -20.316 -28.094 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.493 -17.588 -28.360 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.402 -18.660 -26.943 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.937 -16.973 -26.750 1.00 0.00 H new ATOM 316 N MET A 26 36.110 -17.533 -26.997 1.00 0.00 N ATOM 317 CA MET A 26 37.590 -17.431 -27.153 1.00 0.00 C ATOM 318 C MET A 26 38.211 -17.001 -25.823 1.00 0.00 C ATOM 319 O MET A 26 38.186 -15.840 -25.462 1.00 0.00 O ATOM 320 CB MET A 26 37.922 -16.396 -28.229 1.00 0.00 C ATOM 321 CG MET A 26 37.219 -16.779 -29.532 1.00 0.00 C ATOM 322 SD MET A 26 38.079 -18.181 -30.289 1.00 0.00 S ATOM 323 CE MET A 26 37.376 -18.011 -31.947 1.00 0.00 C ATOM 0 H MET A 26 35.580 -16.735 -27.348 1.00 0.00 H new ATOM 0 HA MET A 26 37.992 -18.400 -27.448 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.602 -15.405 -27.908 1.00 0.00 H new ATOM 0 HB3 MET A 26 39.000 -16.349 -28.384 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.179 -17.040 -29.334 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.210 -15.931 -30.216 1.00 0.00 H new ATOM 0 HE1 MET A 26 37.777 -18.791 -32.594 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.291 -18.106 -31.894 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.635 -17.033 -32.354 1.00 0.00 H new ATOM 333 N ALA A 27 38.766 -17.926 -25.091 1.00 0.00 N ATOM 334 CA ALA A 27 39.385 -17.571 -23.782 1.00 0.00 C ATOM 335 C ALA A 27 40.610 -16.683 -24.016 1.00 0.00 C ATOM 336 O ALA A 27 40.918 -15.813 -23.225 1.00 0.00 O ATOM 337 CB ALA A 27 39.815 -18.848 -23.058 1.00 0.00 C ATOM 0 H ALA A 27 38.818 -18.913 -25.342 1.00 0.00 H new ATOM 0 HA ALA A 27 38.658 -17.033 -23.174 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.268 -18.589 -22.101 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.944 -19.481 -22.888 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.540 -19.386 -23.669 1.00 0.00 H new ATOM 343 N ASN A 28 41.315 -16.896 -25.094 1.00 0.00 N ATOM 344 CA ASN A 28 42.516 -16.070 -25.373 1.00 0.00 C ATOM 345 C ASN A 28 42.090 -14.625 -25.626 1.00 0.00 C ATOM 346 O ASN A 28 42.685 -13.692 -25.122 1.00 0.00 O ATOM 347 CB ASN A 28 43.233 -16.614 -26.612 1.00 0.00 C ATOM 348 CG ASN A 28 42.220 -16.838 -27.730 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.644 -17.902 -27.841 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.977 -15.876 -28.573 1.00 0.00 N ATOM 0 H ASN A 28 41.107 -17.609 -25.793 1.00 0.00 H new ATOM 0 HA ASN A 28 43.190 -16.107 -24.517 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.001 -15.912 -26.938 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.738 -17.550 -26.371 1.00 0.00 H new ATOM 0 HD21 ASN A 28 41.303 -16.016 -29.326 1.00 0.00 H new ATOM 0 HD22 ASN A 28 42.460 -14.983 -28.480 1.00 0.00 H new ATOM 357 N LYS A 29 41.065 -14.435 -26.408 1.00 0.00 N ATOM 358 CA LYS A 29 40.595 -13.056 -26.706 1.00 0.00 C ATOM 359 C LYS A 29 39.645 -12.586 -25.603 1.00 0.00 C ATOM 360 O LYS A 29 38.441 -12.614 -25.758 1.00 0.00 O ATOM 361 CB LYS A 29 39.858 -13.058 -28.044 1.00 0.00 C ATOM 362 CG LYS A 29 40.301 -11.855 -28.877 1.00 0.00 C ATOM 363 CD LYS A 29 41.191 -12.333 -30.026 1.00 0.00 C ATOM 364 CE LYS A 29 41.097 -11.348 -31.193 1.00 0.00 C ATOM 365 NZ LYS A 29 41.501 -12.035 -32.453 1.00 0.00 N ATOM 0 H LYS A 29 40.531 -15.180 -26.855 1.00 0.00 H new ATOM 0 HA LYS A 29 41.450 -12.381 -26.755 1.00 0.00 H new ATOM 0 HB2 LYS A 29 40.065 -13.982 -28.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.781 -13.021 -27.877 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.430 -11.331 -29.271 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.844 -11.146 -28.252 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.224 -12.415 -29.689 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.881 -13.327 -30.350 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.079 -10.969 -31.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.742 -10.489 -31.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.438 -11.367 -33.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.479 -12.376 -32.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.868 -12.841 -32.627 1.00 0.00 H new ATOM 379 N THR A 30 40.174 -12.156 -24.492 1.00 0.00 N ATOM 380 CA THR A 30 39.295 -11.687 -23.384 1.00 0.00 C ATOM 381 C THR A 30 39.251 -10.158 -23.373 1.00 0.00 C ATOM 382 O THR A 30 39.820 -9.502 -24.223 1.00 0.00 O ATOM 383 CB THR A 30 39.839 -12.200 -22.047 1.00 0.00 C ATOM 384 OG1 THR A 30 38.846 -12.048 -21.043 1.00 0.00 O ATOM 385 CG2 THR A 30 41.084 -11.403 -21.659 1.00 0.00 C ATOM 0 H THR A 30 41.175 -12.109 -24.303 1.00 0.00 H new ATOM 0 HA THR A 30 38.286 -12.072 -23.534 1.00 0.00 H new ATOM 0 HB THR A 30 40.101 -13.254 -22.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.989 -11.203 -20.567 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.469 -11.770 -20.708 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.846 -11.521 -22.429 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.826 -10.348 -21.563 1.00 0.00 H new ATOM 393 N LEU A 31 38.577 -9.589 -22.414 1.00 0.00 N ATOM 394 CA LEU A 31 38.486 -8.104 -22.335 1.00 0.00 C ATOM 395 C LEU A 31 39.519 -7.579 -21.356 1.00 0.00 C ATOM 396 O LEU A 31 39.833 -6.408 -21.338 1.00 0.00 O ATOM 397 CB LEU A 31 37.111 -7.706 -21.793 1.00 0.00 C ATOM 398 CG LEU A 31 36.004 -7.869 -22.860 1.00 0.00 C ATOM 399 CD1 LEU A 31 35.107 -6.633 -22.860 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.595 -8.052 -24.264 1.00 0.00 C ATOM 0 H LEU A 31 38.082 -10.091 -21.677 1.00 0.00 H new ATOM 0 HA LEU A 31 38.650 -7.693 -23.331 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.871 -8.319 -20.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.140 -6.670 -21.454 1.00 0.00 H new ATOM 0 HG LEU A 31 35.429 -8.760 -22.608 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.327 -6.749 -23.613 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.649 -6.516 -21.878 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.704 -5.750 -23.089 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.787 -8.163 -24.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.196 -7.180 -24.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.223 -8.943 -24.281 1.00 0.00 H new ATOM 412 N LYS A 32 40.005 -8.427 -20.506 1.00 0.00 N ATOM 413 CA LYS A 32 40.970 -7.979 -19.477 1.00 0.00 C ATOM 414 C LYS A 32 41.948 -6.940 -20.041 1.00 0.00 C ATOM 415 O LYS A 32 41.766 -5.753 -19.870 1.00 0.00 O ATOM 416 CB LYS A 32 41.747 -9.181 -18.942 1.00 0.00 C ATOM 417 CG LYS A 32 41.131 -9.637 -17.618 1.00 0.00 C ATOM 418 CD LYS A 32 40.473 -11.005 -17.808 1.00 0.00 C ATOM 419 CE LYS A 32 41.517 -12.105 -17.602 1.00 0.00 C ATOM 420 NZ LYS A 32 41.176 -13.283 -18.448 1.00 0.00 N ATOM 0 H LYS A 32 39.773 -9.420 -20.479 1.00 0.00 H new ATOM 0 HA LYS A 32 40.409 -7.511 -18.668 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.723 -9.995 -19.666 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.794 -8.915 -18.796 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.900 -9.695 -16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.393 -8.910 -17.278 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.654 -11.128 -17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.044 -11.079 -18.807 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.508 -11.733 -17.862 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.551 -12.396 -16.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.244 -14.151 -17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.206 -13.181 -18.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.840 -13.341 -19.247 1.00 0.00 H new ATOM 434 N LYS A 33 42.990 -7.374 -20.695 1.00 0.00 N ATOM 435 CA LYS A 33 43.983 -6.400 -21.246 1.00 0.00 C ATOM 436 C LYS A 33 45.172 -7.151 -21.848 1.00 0.00 C ATOM 437 O LYS A 33 45.717 -6.771 -22.863 1.00 0.00 O ATOM 438 CB LYS A 33 44.497 -5.519 -20.110 1.00 0.00 C ATOM 439 CG LYS A 33 45.107 -6.404 -19.022 1.00 0.00 C ATOM 440 CD LYS A 33 45.524 -5.538 -17.832 1.00 0.00 C ATOM 441 CE LYS A 33 46.637 -4.580 -18.262 1.00 0.00 C ATOM 442 NZ LYS A 33 46.309 -3.199 -17.808 1.00 0.00 N ATOM 0 H LYS A 33 43.199 -8.356 -20.873 1.00 0.00 H new ATOM 0 HA LYS A 33 43.501 -5.796 -22.015 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.243 -4.819 -20.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.682 -4.925 -19.697 1.00 0.00 H new ATOM 0 HG2 LYS A 33 44.385 -7.156 -18.703 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.971 -6.939 -19.416 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.668 -4.974 -17.461 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.869 -6.169 -17.013 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.589 -4.897 -17.836 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.750 -4.600 -19.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.892 -2.514 -18.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.303 -3.005 -17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.503 -3.113 -16.790 1.00 0.00 H new ATOM 456 N GLU A 34 45.594 -8.196 -21.199 1.00 0.00 N ATOM 457 CA GLU A 34 46.768 -8.970 -21.683 1.00 0.00 C ATOM 458 C GLU A 34 46.521 -9.525 -23.088 1.00 0.00 C ATOM 459 O GLU A 34 47.438 -9.671 -23.867 1.00 0.00 O ATOM 460 CB GLU A 34 47.034 -10.133 -20.723 1.00 0.00 C ATOM 461 CG GLU A 34 45.717 -10.846 -20.409 1.00 0.00 C ATOM 462 CD GLU A 34 45.987 -12.334 -20.174 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.615 -12.943 -21.024 1.00 0.00 O ATOM 464 OE2 GLU A 34 45.562 -12.839 -19.148 1.00 0.00 O ATOM 0 H GLU A 34 45.170 -8.552 -20.342 1.00 0.00 H new ATOM 0 HA GLU A 34 47.629 -8.303 -21.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.741 -10.832 -21.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.488 -9.763 -19.804 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.254 -10.405 -19.526 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.016 -10.718 -21.234 1.00 0.00 H new ATOM 471 N ALA A 35 45.303 -9.857 -23.410 1.00 0.00 N ATOM 472 CA ALA A 35 45.018 -10.425 -24.755 1.00 0.00 C ATOM 473 C ALA A 35 44.610 -9.324 -25.734 1.00 0.00 C ATOM 474 O ALA A 35 45.092 -9.267 -26.846 1.00 0.00 O ATOM 475 CB ALA A 35 43.887 -11.449 -24.645 1.00 0.00 C ATOM 0 H ALA A 35 44.492 -9.759 -22.799 1.00 0.00 H new ATOM 0 HA ALA A 35 45.923 -10.905 -25.128 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.677 -11.866 -25.630 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.185 -12.249 -23.968 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.992 -10.962 -24.259 1.00 0.00 H new ATOM 481 N LEU A 36 43.720 -8.461 -25.342 1.00 0.00 N ATOM 482 CA LEU A 36 43.280 -7.374 -26.262 1.00 0.00 C ATOM 483 C LEU A 36 44.487 -6.530 -26.671 1.00 0.00 C ATOM 484 O LEU A 36 44.555 -6.023 -27.772 1.00 0.00 O ATOM 485 CB LEU A 36 42.247 -6.488 -25.566 1.00 0.00 C ATOM 486 CG LEU A 36 42.716 -6.168 -24.152 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.324 -4.738 -23.801 1.00 0.00 C ATOM 488 CD2 LEU A 36 42.042 -7.124 -23.168 1.00 0.00 C ATOM 0 H LEU A 36 43.276 -8.459 -24.424 1.00 0.00 H new ATOM 0 HA LEU A 36 42.829 -7.818 -27.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 42.105 -5.566 -26.130 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.282 -6.994 -25.534 1.00 0.00 H new ATOM 0 HG LEU A 36 43.799 -6.279 -24.094 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.659 -4.507 -22.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.792 -4.049 -24.504 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.240 -4.633 -23.858 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.375 -6.898 -22.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.960 -7.006 -23.229 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.309 -8.151 -23.417 1.00 0.00 H new ATOM 500 N GLU A 37 45.440 -6.374 -25.797 1.00 0.00 N ATOM 501 CA GLU A 37 46.627 -5.566 -26.146 1.00 0.00 C ATOM 502 C GLU A 37 47.749 -6.480 -26.638 1.00 0.00 C ATOM 503 O GLU A 37 48.807 -6.032 -27.032 1.00 0.00 O ATOM 504 CB GLU A 37 47.075 -4.773 -24.926 1.00 0.00 C ATOM 505 CG GLU A 37 46.097 -3.617 -24.729 1.00 0.00 C ATOM 506 CD GLU A 37 46.763 -2.307 -25.155 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.420 -1.701 -24.326 1.00 0.00 O ATOM 508 OE2 GLU A 37 46.604 -1.933 -26.306 1.00 0.00 O ATOM 0 H GLU A 37 45.444 -6.773 -24.858 1.00 0.00 H new ATOM 0 HA GLU A 37 46.376 -4.869 -26.945 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.094 -5.411 -24.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 48.088 -4.395 -25.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.194 -3.786 -25.316 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.791 -3.559 -23.684 1.00 0.00 H new ATOM 515 N GLN A 38 47.507 -7.761 -26.647 1.00 0.00 N ATOM 516 CA GLN A 38 48.506 -8.716 -27.135 1.00 0.00 C ATOM 517 C GLN A 38 48.542 -8.593 -28.639 1.00 0.00 C ATOM 518 O GLN A 38 49.554 -8.312 -29.249 1.00 0.00 O ATOM 519 CB GLN A 38 48.027 -10.119 -26.781 1.00 0.00 C ATOM 520 CG GLN A 38 49.204 -11.056 -26.550 1.00 0.00 C ATOM 521 CD GLN A 38 50.420 -10.625 -27.380 1.00 0.00 C ATOM 522 OE1 GLN A 38 51.234 -9.729 -26.898 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.626 -11.108 -28.475 1.00 0.00 N flip ATOM 0 H GLN A 38 46.635 -8.183 -26.327 1.00 0.00 H new ATOM 0 HA GLN A 38 49.487 -8.527 -26.700 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.407 -10.080 -25.885 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.401 -10.507 -27.585 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.465 -11.063 -25.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.920 -12.074 -26.815 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.988 -11.809 -28.851 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.437 -10.812 -29.018 1.00 0.00 H new ATOM 532 N PHE A 39 47.408 -8.801 -29.224 1.00 0.00 N ATOM 533 CA PHE A 39 47.292 -8.704 -30.692 1.00 0.00 C ATOM 534 C PHE A 39 46.976 -7.265 -31.110 1.00 0.00 C ATOM 535 O PHE A 39 47.613 -6.714 -31.986 1.00 0.00 O ATOM 536 CB PHE A 39 46.205 -9.646 -31.215 1.00 0.00 C ATOM 537 CG PHE A 39 45.272 -10.118 -30.118 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.240 -9.295 -29.635 1.00 0.00 C ATOM 539 CD2 PHE A 39 45.425 -11.414 -29.605 1.00 0.00 C ATOM 540 CE1 PHE A 39 43.376 -9.775 -28.644 1.00 0.00 C ATOM 541 CE2 PHE A 39 44.563 -11.884 -28.612 1.00 0.00 C ATOM 542 CZ PHE A 39 43.539 -11.065 -28.132 1.00 0.00 C ATOM 0 H PHE A 39 46.542 -9.038 -28.739 1.00 0.00 H new ATOM 0 HA PHE A 39 48.248 -8.999 -31.125 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.627 -9.136 -31.986 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.673 -10.510 -31.687 1.00 0.00 H new ATOM 0 HD1 PHE A 39 44.114 -8.296 -30.027 1.00 0.00 H new ATOM 0 HD2 PHE A 39 46.213 -12.051 -29.979 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.580 -9.146 -28.274 1.00 0.00 H new ATOM 0 HE2 PHE A 39 44.688 -12.881 -28.215 1.00 0.00 H new ATOM 0 HZ PHE A 39 42.872 -11.429 -27.364 1.00 0.00 H new ATOM 552 N GLY A 40 46.007 -6.648 -30.498 1.00 0.00 N ATOM 553 CA GLY A 40 45.667 -5.245 -30.876 1.00 0.00 C ATOM 554 C GLY A 40 44.152 -5.105 -31.037 1.00 0.00 C ATOM 555 O GLY A 40 43.602 -5.353 -32.091 1.00 0.00 O ATOM 0 H GLY A 40 45.436 -7.050 -29.755 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.026 -4.556 -30.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.167 -4.978 -31.807 1.00 0.00 H new ATOM 559 N MET A 41 43.476 -4.716 -29.993 1.00 0.00 N ATOM 560 CA MET A 41 41.994 -4.564 -30.068 1.00 0.00 C ATOM 561 C MET A 41 41.494 -3.916 -28.780 1.00 0.00 C ATOM 562 O MET A 41 40.382 -4.141 -28.347 1.00 0.00 O ATOM 563 CB MET A 41 41.368 -5.939 -30.192 1.00 0.00 C ATOM 564 CG MET A 41 41.761 -6.752 -28.967 1.00 0.00 C ATOM 565 SD MET A 41 40.356 -6.853 -27.833 1.00 0.00 S ATOM 566 CE MET A 41 40.450 -8.629 -27.501 1.00 0.00 C ATOM 0 H MET A 41 43.887 -4.495 -29.086 1.00 0.00 H new ATOM 0 HA MET A 41 41.727 -3.947 -30.926 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.283 -5.858 -30.263 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.711 -6.432 -31.102 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.073 -7.753 -29.266 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.612 -6.289 -28.468 1.00 0.00 H new ATOM 0 HE1 MET A 41 39.529 -8.958 -27.020 1.00 0.00 H new ATOM 0 HE2 MET A 41 40.582 -9.168 -28.439 1.00 0.00 H new ATOM 0 HE3 MET A 41 41.296 -8.832 -26.844 1.00 0.00 H new ATOM 576 N TYR A 42 42.322 -3.139 -28.151 1.00 0.00 N ATOM 577 CA TYR A 42 41.927 -2.496 -26.874 1.00 0.00 C ATOM 578 C TYR A 42 41.562 -1.030 -27.124 1.00 0.00 C ATOM 579 O TYR A 42 41.617 -0.206 -26.233 1.00 0.00 O ATOM 580 CB TYR A 42 43.127 -2.595 -25.934 1.00 0.00 C ATOM 581 CG TYR A 42 42.769 -2.107 -24.548 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.431 -2.046 -24.137 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.788 -1.728 -23.664 1.00 0.00 C ATOM 584 CE1 TYR A 42 41.116 -1.605 -22.846 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.470 -1.285 -22.376 1.00 0.00 C ATOM 586 CZ TYR A 42 42.135 -1.224 -21.966 1.00 0.00 C ATOM 587 OH TYR A 42 41.823 -0.788 -20.694 1.00 0.00 O ATOM 0 H TYR A 42 43.266 -2.919 -28.470 1.00 0.00 H new ATOM 0 HA TYR A 42 41.057 -2.987 -26.437 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.469 -3.629 -25.883 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.953 -2.005 -26.330 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.643 -2.339 -24.815 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.820 -1.778 -23.978 1.00 0.00 H new ATOM 0 HE1 TYR A 42 40.085 -1.559 -22.529 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.257 -0.990 -21.698 1.00 0.00 H new ATOM 0 HH TYR A 42 42.284 0.058 -20.516 1.00 0.00 H new ATOM 597 N SER A 43 41.223 -0.694 -28.340 1.00 0.00 N ATOM 598 CA SER A 43 40.890 0.722 -28.659 1.00 0.00 C ATOM 599 C SER A 43 39.386 0.900 -28.886 1.00 0.00 C ATOM 600 O SER A 43 38.723 0.049 -29.449 1.00 0.00 O ATOM 601 CB SER A 43 41.629 1.126 -29.926 1.00 0.00 C ATOM 602 OG SER A 43 42.455 2.248 -29.655 1.00 0.00 O ATOM 0 H SER A 43 41.163 -1.341 -29.126 1.00 0.00 H new ATOM 0 HA SER A 43 41.189 1.347 -27.817 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.234 0.295 -30.288 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.916 1.368 -30.714 1.00 0.00 H new ATOM 0 HG SER A 43 42.932 2.507 -30.471 1.00 0.00 H new ATOM 608 N GLU A 44 38.850 2.015 -28.466 1.00 0.00 N ATOM 609 CA GLU A 44 37.399 2.286 -28.668 1.00 0.00 C ATOM 610 C GLU A 44 36.989 1.856 -30.074 1.00 0.00 C ATOM 611 O GLU A 44 36.167 0.990 -30.242 1.00 0.00 O ATOM 612 CB GLU A 44 37.128 3.787 -28.500 1.00 0.00 C ATOM 613 CG GLU A 44 38.377 4.587 -28.884 1.00 0.00 C ATOM 614 CD GLU A 44 37.966 5.811 -29.707 1.00 0.00 C ATOM 615 OE1 GLU A 44 37.607 5.632 -30.859 1.00 0.00 O ATOM 616 OE2 GLU A 44 38.022 6.905 -29.171 1.00 0.00 O ATOM 0 H GLU A 44 39.362 2.756 -27.987 1.00 0.00 H new ATOM 0 HA GLU A 44 36.823 1.726 -27.932 1.00 0.00 H new ATOM 0 HB2 GLU A 44 36.287 4.086 -29.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.850 4.002 -27.468 1.00 0.00 H new ATOM 0 HG2 GLU A 44 38.911 4.901 -27.987 1.00 0.00 H new ATOM 0 HG3 GLU A 44 39.060 3.962 -29.459 1.00 0.00 H new ATOM 623 N ASP A 45 37.540 2.462 -31.085 1.00 0.00 N ATOM 624 CA ASP A 45 37.156 2.085 -32.473 1.00 0.00 C ATOM 625 C ASP A 45 37.205 0.563 -32.656 1.00 0.00 C ATOM 626 O ASP A 45 36.385 -0.013 -33.344 1.00 0.00 O ATOM 627 CB ASP A 45 38.109 2.747 -33.456 1.00 0.00 C ATOM 628 CG ASP A 45 37.621 2.503 -34.887 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.809 1.612 -35.071 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.070 3.212 -35.771 1.00 0.00 O ATOM 0 H ASP A 45 38.239 3.201 -31.012 1.00 0.00 H new ATOM 0 HA ASP A 45 36.136 2.423 -32.658 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.166 3.817 -33.258 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.114 2.345 -33.330 1.00 0.00 H new ATOM 635 N ALA A 46 38.161 -0.094 -32.058 1.00 0.00 N ATOM 636 CA ALA A 46 38.264 -1.577 -32.212 1.00 0.00 C ATOM 637 C ALA A 46 37.008 -2.260 -31.664 1.00 0.00 C ATOM 638 O ALA A 46 36.176 -2.743 -32.407 1.00 0.00 O ATOM 639 CB ALA A 46 39.496 -2.083 -31.458 1.00 0.00 C ATOM 0 H ALA A 46 38.877 0.331 -31.468 1.00 0.00 H new ATOM 0 HA ALA A 46 38.358 -1.816 -33.271 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.572 -3.165 -31.570 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.391 -1.612 -31.865 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.404 -1.833 -30.401 1.00 0.00 H new ATOM 645 N ILE A 47 36.874 -2.315 -30.373 1.00 0.00 N ATOM 646 CA ILE A 47 35.688 -2.978 -29.761 1.00 0.00 C ATOM 647 C ILE A 47 34.409 -2.229 -30.125 1.00 0.00 C ATOM 648 O ILE A 47 33.314 -2.699 -29.899 1.00 0.00 O ATOM 649 CB ILE A 47 35.875 -2.975 -28.257 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.793 -3.807 -27.585 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.774 -1.555 -27.723 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.968 -3.689 -26.070 1.00 0.00 C ATOM 0 H ILE A 47 37.540 -1.926 -29.706 1.00 0.00 H new ATOM 0 HA ILE A 47 35.600 -3.998 -30.134 1.00 0.00 H new ATOM 0 HB ILE A 47 36.857 -3.395 -28.040 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.805 -3.456 -27.882 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.867 -4.849 -27.896 1.00 0.00 H new ATOM 0 HG21 ILE A 47 35.910 -1.562 -26.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.547 -0.938 -28.181 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.793 -1.145 -27.963 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.201 -4.279 -25.568 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.953 -4.059 -25.788 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.874 -2.644 -25.773 1.00 0.00 H new ATOM 664 N ILE A 48 34.543 -1.072 -30.693 1.00 0.00 N ATOM 665 CA ILE A 48 33.338 -0.286 -31.083 1.00 0.00 C ATOM 666 C ILE A 48 32.737 -0.919 -32.342 1.00 0.00 C ATOM 667 O ILE A 48 31.533 -1.017 -32.486 1.00 0.00 O ATOM 668 CB ILE A 48 33.740 1.178 -31.332 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.766 1.929 -30.003 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.730 1.864 -32.245 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.328 3.337 -30.219 1.00 0.00 C ATOM 0 H ILE A 48 35.437 -0.630 -30.907 1.00 0.00 H new ATOM 0 HA ILE A 48 32.592 -0.298 -30.288 1.00 0.00 H new ATOM 0 HB ILE A 48 34.723 1.189 -31.802 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.760 1.988 -29.587 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.378 1.389 -29.281 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.032 2.898 -32.409 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.690 1.342 -33.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.745 1.843 -31.779 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.346 3.871 -29.269 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.341 3.268 -30.615 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.698 3.876 -30.927 1.00 0.00 H new ATOM 683 N TYR A 49 33.569 -1.384 -33.236 1.00 0.00 N ATOM 684 CA TYR A 49 33.051 -2.048 -34.466 1.00 0.00 C ATOM 685 C TYR A 49 32.890 -3.541 -34.177 1.00 0.00 C ATOM 686 O TYR A 49 32.222 -4.260 -34.891 1.00 0.00 O ATOM 687 CB TYR A 49 34.035 -1.861 -35.617 1.00 0.00 C ATOM 688 CG TYR A 49 33.506 -2.592 -36.821 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.713 -3.970 -36.952 1.00 0.00 C ATOM 690 CD2 TYR A 49 32.795 -1.894 -37.801 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.211 -4.649 -38.066 1.00 0.00 C ATOM 692 CE2 TYR A 49 32.292 -2.572 -38.915 1.00 0.00 C ATOM 693 CZ TYR A 49 32.500 -3.950 -39.049 1.00 0.00 C ATOM 694 OH TYR A 49 32.004 -4.617 -40.150 1.00 0.00 O ATOM 0 H TYR A 49 34.585 -1.332 -33.167 1.00 0.00 H new ATOM 0 HA TYR A 49 32.094 -1.608 -34.746 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.159 -0.802 -35.841 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.017 -2.245 -35.342 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.260 -4.509 -36.193 1.00 0.00 H new ATOM 0 HD2 TYR A 49 32.634 -0.831 -37.698 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.371 -5.712 -38.168 1.00 0.00 H new ATOM 0 HE2 TYR A 49 31.743 -2.033 -39.673 1.00 0.00 H new ATOM 0 HH TYR A 49 31.536 -3.983 -40.733 1.00 0.00 H new ATOM 704 N GLN A 50 33.497 -4.007 -33.123 1.00 0.00 N ATOM 705 CA GLN A 50 33.383 -5.444 -32.763 1.00 0.00 C ATOM 706 C GLN A 50 32.144 -5.616 -31.872 1.00 0.00 C ATOM 707 O GLN A 50 31.667 -6.711 -31.659 1.00 0.00 O ATOM 708 CB GLN A 50 34.680 -5.862 -32.038 1.00 0.00 C ATOM 709 CG GLN A 50 34.442 -6.986 -31.022 1.00 0.00 C ATOM 710 CD GLN A 50 34.578 -8.341 -31.721 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.600 -8.557 -32.504 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 33.748 -9.211 -31.556 1.00 0.00 N flip ATOM 0 H GLN A 50 34.071 -3.449 -32.491 1.00 0.00 H new ATOM 0 HA GLN A 50 33.263 -6.079 -33.641 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.415 -6.189 -32.773 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.103 -4.997 -31.527 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.161 -6.912 -30.206 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.449 -6.889 -30.582 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.949 -9.044 -30.945 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.850 -10.109 -32.029 1.00 0.00 H new ATOM 721 N VAL A 51 31.617 -4.531 -31.361 1.00 0.00 N ATOM 722 CA VAL A 51 30.406 -4.609 -30.491 1.00 0.00 C ATOM 723 C VAL A 51 29.149 -4.321 -31.316 1.00 0.00 C ATOM 724 O VAL A 51 28.159 -5.020 -31.236 1.00 0.00 O ATOM 725 CB VAL A 51 30.508 -3.543 -29.402 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.176 -3.440 -28.658 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.614 -3.916 -28.417 1.00 0.00 C ATOM 0 H VAL A 51 31.977 -3.589 -31.511 1.00 0.00 H new ATOM 0 HA VAL A 51 30.346 -5.607 -30.057 1.00 0.00 H new ATOM 0 HB VAL A 51 30.743 -2.583 -29.861 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.251 -2.679 -27.881 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.388 -3.166 -29.359 1.00 0.00 H new ATOM 0 HG13 VAL A 51 28.939 -4.401 -28.202 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.683 -3.153 -27.642 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.384 -4.878 -27.959 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.565 -3.983 -28.946 1.00 0.00 H new ATOM 737 N GLN A 52 29.188 -3.275 -32.090 1.00 0.00 N ATOM 738 CA GLN A 52 28.011 -2.879 -32.915 1.00 0.00 C ATOM 739 C GLN A 52 27.651 -3.974 -33.906 1.00 0.00 C ATOM 740 O GLN A 52 26.624 -3.920 -34.554 1.00 0.00 O ATOM 741 CB GLN A 52 28.373 -1.631 -33.688 1.00 0.00 C ATOM 742 CG GLN A 52 27.551 -0.449 -33.171 1.00 0.00 C ATOM 743 CD GLN A 52 28.162 0.859 -33.674 1.00 0.00 C ATOM 744 OE1 GLN A 52 27.482 1.672 -34.269 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.426 1.099 -33.458 1.00 0.00 N ATOM 0 H GLN A 52 30.000 -2.666 -32.189 1.00 0.00 H new ATOM 0 HA GLN A 52 27.158 -2.706 -32.258 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.437 -1.421 -33.581 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.183 -1.782 -34.751 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.519 -0.534 -33.511 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.530 -0.457 -32.081 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.997 0.417 -32.959 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.844 1.969 -33.788 1.00 0.00 H new ATOM 754 N HIS A 53 28.479 -4.960 -34.047 1.00 0.00 N ATOM 755 CA HIS A 53 28.174 -6.033 -35.006 1.00 0.00 C ATOM 756 C HIS A 53 28.910 -7.273 -34.556 1.00 0.00 C ATOM 757 O HIS A 53 29.222 -8.143 -35.345 1.00 0.00 O ATOM 758 CB HIS A 53 28.671 -5.660 -36.390 1.00 0.00 C ATOM 759 CG HIS A 53 28.932 -4.180 -36.499 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.710 -3.329 -35.753 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.378 -3.402 -37.504 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 29.646 -2.046 -36.286 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 28.830 -2.145 -37.339 1.00 0.00 N flip ATOM 0 H HIS A 53 29.355 -5.066 -33.536 1.00 0.00 H new ATOM 0 HA HIS A 53 27.097 -6.196 -35.046 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.586 -6.210 -36.610 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.933 -5.957 -37.136 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.253 -3.597 -34.932 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.706 -3.742 -38.278 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.148 -1.160 -35.926 1.00 0.00 H new ATOM 771 N GLY A 54 29.231 -7.352 -33.298 1.00 0.00 N ATOM 772 CA GLY A 54 29.988 -8.527 -32.839 1.00 0.00 C ATOM 773 C GLY A 54 31.218 -8.628 -33.715 1.00 0.00 C ATOM 774 O GLY A 54 31.886 -7.651 -33.982 1.00 0.00 O ATOM 0 H GLY A 54 29.003 -6.661 -32.583 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.268 -8.420 -31.791 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.383 -9.430 -32.917 1.00 0.00 H new ATOM 778 N LYS A 55 31.481 -9.801 -34.171 1.00 0.00 N ATOM 779 CA LYS A 55 32.648 -10.052 -35.074 1.00 0.00 C ATOM 780 C LYS A 55 33.084 -11.508 -34.959 1.00 0.00 C ATOM 781 O LYS A 55 33.437 -11.976 -33.898 1.00 0.00 O ATOM 782 CB LYS A 55 33.819 -9.146 -34.698 1.00 0.00 C ATOM 783 CG LYS A 55 34.070 -8.099 -35.803 1.00 0.00 C ATOM 784 CD LYS A 55 32.760 -7.630 -36.458 1.00 0.00 C ATOM 785 CE LYS A 55 32.754 -8.040 -37.932 1.00 0.00 C ATOM 786 NZ LYS A 55 31.584 -7.419 -38.616 1.00 0.00 N ATOM 0 H LYS A 55 30.928 -10.631 -33.958 1.00 0.00 H new ATOM 0 HA LYS A 55 32.346 -9.837 -36.099 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.609 -8.643 -33.754 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.716 -9.746 -34.547 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.591 -7.241 -35.378 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.724 -8.524 -36.564 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.906 -8.069 -35.943 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.663 -6.548 -36.370 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.680 -7.723 -38.412 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.705 -9.125 -38.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.419 -7.897 -39.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.740 -7.515 -38.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 31.776 -6.411 -38.785 1.00 0.00 H new ATOM 800 N ASN A 56 33.059 -12.220 -36.053 1.00 0.00 N ATOM 801 CA ASN A 56 33.465 -13.652 -36.035 1.00 0.00 C ATOM 802 C ASN A 56 32.361 -14.478 -35.363 1.00 0.00 C ATOM 803 O ASN A 56 31.571 -15.124 -36.022 1.00 0.00 O ATOM 804 CB ASN A 56 34.783 -13.811 -35.271 1.00 0.00 C ATOM 805 CG ASN A 56 35.793 -12.771 -35.767 1.00 0.00 C ATOM 806 OD1 ASN A 56 35.583 -12.152 -36.899 1.00 0.00 O flip ATOM 807 ND2 ASN A 56 36.786 -12.518 -35.114 1.00 0.00 N flip ATOM 0 H ASN A 56 32.772 -11.866 -36.966 1.00 0.00 H new ATOM 0 HA ASN A 56 33.611 -14.005 -37.056 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.613 -13.686 -34.202 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.180 -14.816 -35.415 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.952 -13.000 -34.230 1.00 0.00 H new ATOM 0 HD22 ASN A 56 37.454 -11.824 -35.449 1.00 0.00 H new ATOM 814 N ALA A 57 32.293 -14.453 -34.060 1.00 0.00 N ATOM 815 CA ALA A 57 31.236 -15.224 -33.349 1.00 0.00 C ATOM 816 C ALA A 57 30.637 -14.344 -32.249 1.00 0.00 C ATOM 817 O ALA A 57 30.186 -14.826 -31.229 1.00 0.00 O ATOM 818 CB ALA A 57 31.851 -16.476 -32.724 1.00 0.00 C ATOM 0 H ALA A 57 32.927 -13.930 -33.456 1.00 0.00 H new ATOM 0 HA ALA A 57 30.457 -15.520 -34.052 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.077 -17.040 -32.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.288 -17.096 -33.507 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.627 -16.185 -32.016 1.00 0.00 H new ATOM 824 N MET A 58 30.637 -13.053 -32.449 1.00 0.00 N ATOM 825 CA MET A 58 30.078 -12.128 -31.421 1.00 0.00 C ATOM 826 C MET A 58 28.746 -11.549 -31.927 1.00 0.00 C ATOM 827 O MET A 58 28.587 -11.316 -33.109 1.00 0.00 O ATOM 828 CB MET A 58 31.093 -11.009 -31.166 1.00 0.00 C ATOM 829 CG MET A 58 30.551 -10.058 -30.105 1.00 0.00 C ATOM 830 SD MET A 58 31.722 -8.715 -29.805 1.00 0.00 S ATOM 831 CE MET A 58 30.601 -7.681 -28.833 1.00 0.00 C ATOM 0 H MET A 58 31.002 -12.597 -33.285 1.00 0.00 H new ATOM 0 HA MET A 58 29.891 -12.661 -30.489 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.042 -11.433 -30.838 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.289 -10.465 -32.090 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.594 -9.649 -30.429 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.368 -10.603 -29.179 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.154 -6.843 -28.410 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.805 -7.303 -29.475 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.167 -8.273 -28.027 1.00 0.00 H new ATOM 841 N PRO A 59 27.815 -11.364 -31.018 1.00 0.00 N ATOM 842 CA PRO A 59 26.470 -10.846 -31.338 1.00 0.00 C ATOM 843 C PRO A 59 26.435 -9.320 -31.509 1.00 0.00 C ATOM 844 O PRO A 59 26.588 -8.576 -30.561 1.00 0.00 O ATOM 845 CB PRO A 59 25.634 -11.269 -30.127 1.00 0.00 C ATOM 846 CG PRO A 59 26.618 -11.501 -28.964 1.00 0.00 C ATOM 847 CD PRO A 59 28.013 -11.667 -29.584 1.00 0.00 C ATOM 0 HA PRO A 59 26.107 -11.235 -32.289 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.908 -10.498 -29.871 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.071 -12.177 -30.344 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.601 -10.660 -28.271 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.341 -12.388 -28.395 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.734 -10.987 -29.130 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.394 -12.678 -29.440 1.00 0.00 H new ATOM 855 N ALA A 60 26.200 -8.858 -32.715 1.00 0.00 N ATOM 856 CA ALA A 60 26.106 -7.394 -32.975 1.00 0.00 C ATOM 857 C ALA A 60 25.408 -6.697 -31.816 1.00 0.00 C ATOM 858 O ALA A 60 24.692 -7.310 -31.051 1.00 0.00 O ATOM 859 CB ALA A 60 25.280 -7.177 -34.244 1.00 0.00 C ATOM 0 H ALA A 60 26.068 -9.445 -33.538 1.00 0.00 H new ATOM 0 HA ALA A 60 27.109 -6.983 -33.089 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.201 -6.109 -34.449 1.00 0.00 H new ATOM 0 HB2 ALA A 60 25.766 -7.673 -35.084 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.283 -7.594 -34.105 1.00 0.00 H new ATOM 865 N PHE A 61 25.602 -5.414 -31.687 1.00 0.00 N ATOM 866 CA PHE A 61 24.951 -4.679 -30.593 1.00 0.00 C ATOM 867 C PHE A 61 24.621 -3.257 -31.036 1.00 0.00 C ATOM 868 O PHE A 61 24.441 -2.371 -30.225 1.00 0.00 O ATOM 869 CB PHE A 61 25.874 -4.632 -29.387 1.00 0.00 C ATOM 870 CG PHE A 61 25.834 -5.938 -28.637 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.658 -6.694 -28.578 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.977 -6.373 -27.968 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.627 -7.881 -27.842 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.951 -7.560 -27.241 1.00 0.00 C ATOM 875 CZ PHE A 61 25.775 -8.315 -27.173 1.00 0.00 C ATOM 0 H PHE A 61 26.189 -4.849 -32.301 1.00 0.00 H new ATOM 0 HA PHE A 61 24.027 -5.192 -30.326 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.894 -4.424 -29.711 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.577 -3.818 -28.726 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.774 -6.360 -29.101 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.884 -5.788 -28.014 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.718 -8.462 -27.790 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.840 -7.898 -26.729 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.754 -9.233 -26.604 1.00 0.00 H new ATOM 885 N ALA A 62 24.529 -3.027 -32.311 1.00 0.00 N ATOM 886 CA ALA A 62 24.189 -1.666 -32.786 1.00 0.00 C ATOM 887 C ALA A 62 22.794 -1.287 -32.266 1.00 0.00 C ATOM 888 O ALA A 62 22.380 -0.148 -32.357 1.00 0.00 O ATOM 889 CB ALA A 62 24.190 -1.641 -34.315 1.00 0.00 C ATOM 0 H ALA A 62 24.674 -3.722 -33.043 1.00 0.00 H new ATOM 0 HA ALA A 62 24.926 -0.953 -32.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.940 -0.639 -34.663 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.178 -1.916 -34.683 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.453 -2.350 -34.691 1.00 0.00 H new ATOM 895 N GLY A 63 22.066 -2.232 -31.717 1.00 0.00 N ATOM 896 CA GLY A 63 20.708 -1.924 -31.192 1.00 0.00 C ATOM 897 C GLY A 63 20.573 -2.522 -29.793 1.00 0.00 C ATOM 898 O GLY A 63 19.493 -2.619 -29.244 1.00 0.00 O ATOM 0 H GLY A 63 22.360 -3.203 -31.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.552 -0.846 -31.158 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.946 -2.335 -31.853 1.00 0.00 H new ATOM 902 N ARG A 64 21.670 -2.928 -29.215 1.00 0.00 N ATOM 903 CA ARG A 64 21.635 -3.523 -27.865 1.00 0.00 C ATOM 904 C ARG A 64 22.146 -2.470 -26.914 1.00 0.00 C ATOM 905 O ARG A 64 21.552 -2.176 -25.897 1.00 0.00 O ATOM 906 CB ARG A 64 22.562 -4.744 -27.817 1.00 0.00 C ATOM 907 CG ARG A 64 21.743 -6.017 -28.040 1.00 0.00 C ATOM 908 CD ARG A 64 20.714 -6.144 -26.926 1.00 0.00 C ATOM 909 NE ARG A 64 20.089 -7.496 -26.975 1.00 0.00 N ATOM 910 CZ ARG A 64 20.764 -8.542 -26.582 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.120 -8.659 -25.331 1.00 0.00 N ATOM 912 NH2 ARG A 64 21.082 -9.472 -27.441 1.00 0.00 N ATOM 0 H ARG A 64 22.598 -2.868 -29.633 1.00 0.00 H new ATOM 0 HA ARG A 64 20.626 -3.841 -27.601 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.334 -4.657 -28.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.070 -4.790 -26.854 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.246 -5.980 -29.009 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.397 -6.889 -28.050 1.00 0.00 H new ATOM 0 HD2 ARG A 64 21.190 -5.987 -25.958 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.949 -5.375 -27.034 1.00 0.00 H new ATOM 0 HE ARG A 64 19.134 -7.604 -27.316 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.871 -7.933 -24.660 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.647 -9.477 -25.025 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.803 -9.381 -28.418 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.609 -10.290 -27.135 1.00 0.00 H new ATOM 926 N LEU A 65 23.251 -1.877 -27.266 1.00 0.00 N ATOM 927 CA LEU A 65 23.809 -0.811 -26.412 1.00 0.00 C ATOM 928 C LEU A 65 23.336 0.535 -26.949 1.00 0.00 C ATOM 929 O LEU A 65 23.511 0.857 -28.105 1.00 0.00 O ATOM 930 CB LEU A 65 25.342 -0.847 -26.412 1.00 0.00 C ATOM 931 CG LEU A 65 25.842 -2.201 -26.915 1.00 0.00 C ATOM 932 CD1 LEU A 65 27.357 -2.297 -26.729 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.161 -3.324 -26.131 1.00 0.00 C ATOM 0 H LEU A 65 23.786 -2.089 -28.108 1.00 0.00 H new ATOM 0 HA LEU A 65 23.467 -0.962 -25.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 25.731 -0.050 -27.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 25.717 -0.665 -25.405 1.00 0.00 H new ATOM 0 HG LEU A 65 25.602 -2.299 -27.974 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.707 -3.264 -27.089 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.844 -1.502 -27.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.601 -2.194 -25.672 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.519 -4.288 -26.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 25.396 -3.223 -25.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 24.082 -3.263 -26.271 1.00 0.00 H new ATOM 945 N THR A 66 22.724 1.300 -26.108 1.00 0.00 N ATOM 946 CA THR A 66 22.211 2.647 -26.508 1.00 0.00 C ATOM 947 C THR A 66 23.270 3.388 -27.345 1.00 0.00 C ATOM 948 O THR A 66 24.346 2.890 -27.578 1.00 0.00 O ATOM 949 CB THR A 66 21.903 3.448 -25.241 1.00 0.00 C ATOM 950 OG1 THR A 66 21.233 2.609 -24.308 1.00 0.00 O ATOM 951 CG2 THR A 66 21.009 4.639 -25.586 1.00 0.00 C ATOM 0 H THR A 66 22.548 1.052 -25.134 1.00 0.00 H new ATOM 0 HA THR A 66 21.308 2.534 -27.108 1.00 0.00 H new ATOM 0 HB THR A 66 22.834 3.812 -24.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.035 3.118 -23.494 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.793 5.206 -24.681 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.520 5.282 -26.303 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.076 4.280 -26.021 1.00 0.00 H new ATOM 959 N ASP A 67 22.972 4.578 -27.795 1.00 0.00 N ATOM 960 CA ASP A 67 23.956 5.338 -28.616 1.00 0.00 C ATOM 961 C ASP A 67 25.172 5.671 -27.760 1.00 0.00 C ATOM 962 O ASP A 67 26.285 5.270 -28.046 1.00 0.00 O ATOM 963 CB ASP A 67 23.313 6.633 -29.114 1.00 0.00 C ATOM 964 CG ASP A 67 22.211 6.302 -30.122 1.00 0.00 C ATOM 965 OD1 ASP A 67 21.131 5.932 -29.690 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.465 6.423 -31.308 1.00 0.00 O ATOM 0 H ASP A 67 22.087 5.057 -27.628 1.00 0.00 H new ATOM 0 HA ASP A 67 24.263 4.735 -29.471 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.897 7.191 -28.275 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.066 7.270 -29.578 1.00 0.00 H new ATOM 971 N GLU A 68 24.956 6.383 -26.692 1.00 0.00 N ATOM 972 CA GLU A 68 26.076 6.742 -25.782 1.00 0.00 C ATOM 973 C GLU A 68 26.544 5.492 -25.027 1.00 0.00 C ATOM 974 O GLU A 68 27.423 5.556 -24.199 1.00 0.00 O ATOM 975 CB GLU A 68 25.570 7.773 -24.777 1.00 0.00 C ATOM 976 CG GLU A 68 24.968 8.961 -25.531 1.00 0.00 C ATOM 977 CD GLU A 68 23.635 9.351 -24.890 1.00 0.00 C ATOM 978 OE1 GLU A 68 23.430 9.005 -23.739 1.00 0.00 O ATOM 979 OE2 GLU A 68 22.841 9.989 -25.562 1.00 0.00 O ATOM 0 H GLU A 68 24.042 6.735 -26.408 1.00 0.00 H new ATOM 0 HA GLU A 68 26.908 7.149 -26.357 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.821 7.324 -24.124 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.388 8.109 -24.140 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.656 9.806 -25.508 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.817 8.702 -26.579 1.00 0.00 H new ATOM 986 N GLN A 69 25.950 4.365 -25.312 1.00 0.00 N ATOM 987 CA GLN A 69 26.315 3.084 -24.637 1.00 0.00 C ATOM 988 C GLN A 69 27.175 2.275 -25.603 1.00 0.00 C ATOM 989 O GLN A 69 28.015 1.523 -25.198 1.00 0.00 O ATOM 990 CB GLN A 69 25.033 2.323 -24.305 1.00 0.00 C ATOM 991 CG GLN A 69 24.509 2.729 -22.917 1.00 0.00 C ATOM 992 CD GLN A 69 24.254 4.220 -22.911 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.126 4.666 -22.977 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.264 5.018 -22.804 1.00 0.00 N ATOM 0 H GLN A 69 25.206 4.276 -26.004 1.00 0.00 H new ATOM 0 HA GLN A 69 26.867 3.265 -23.715 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.275 2.529 -25.061 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.224 1.250 -24.329 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.591 2.188 -22.687 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.235 2.467 -22.148 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.210 4.639 -22.749 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.116 6.027 -22.775 1.00 0.00 H new ATOM 1003 N ILE A 70 27.014 2.469 -26.885 1.00 0.00 N ATOM 1004 CA ILE A 70 27.898 1.749 -27.845 1.00 0.00 C ATOM 1005 C ILE A 70 29.249 2.433 -27.725 1.00 0.00 C ATOM 1006 O ILE A 70 30.302 1.848 -27.881 1.00 0.00 O ATOM 1007 CB ILE A 70 27.383 1.912 -29.279 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.059 1.173 -29.445 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.406 1.335 -30.258 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.303 -0.329 -29.359 1.00 0.00 C ATOM 0 H ILE A 70 26.318 3.086 -27.304 1.00 0.00 H new ATOM 0 HA ILE A 70 27.939 0.682 -27.627 1.00 0.00 H new ATOM 0 HB ILE A 70 27.233 2.972 -29.483 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.357 1.483 -28.671 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.607 1.425 -30.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 28.039 1.451 -31.278 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.352 1.865 -30.150 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.557 0.277 -30.045 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.358 -0.859 -29.477 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.990 -0.632 -30.149 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.736 -0.572 -28.389 1.00 0.00 H new ATOM 1022 N GLN A 71 29.180 3.697 -27.429 1.00 0.00 N ATOM 1023 CA GLN A 71 30.374 4.542 -27.254 1.00 0.00 C ATOM 1024 C GLN A 71 30.960 4.320 -25.868 1.00 0.00 C ATOM 1025 O GLN A 71 32.068 3.854 -25.692 1.00 0.00 O ATOM 1026 CB GLN A 71 29.891 5.981 -27.321 1.00 0.00 C ATOM 1027 CG GLN A 71 29.988 6.484 -28.763 1.00 0.00 C ATOM 1028 CD GLN A 71 29.202 5.547 -29.678 1.00 0.00 C ATOM 1029 OE1 GLN A 71 27.917 5.709 -29.804 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 29.767 4.659 -30.287 1.00 0.00 N flip ATOM 0 H GLN A 71 28.300 4.195 -27.297 1.00 0.00 H new ATOM 0 HA GLN A 71 31.125 4.312 -28.010 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.861 6.047 -26.970 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.493 6.609 -26.664 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.592 7.497 -28.834 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.031 6.526 -29.076 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.774 4.533 -30.187 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.234 4.040 -30.898 1.00 0.00 H new ATOM 1039 N ASP A 72 30.194 4.690 -24.893 1.00 0.00 N ATOM 1040 CA ASP A 72 30.595 4.569 -23.481 1.00 0.00 C ATOM 1041 C ASP A 72 30.946 3.118 -23.157 1.00 0.00 C ATOM 1042 O ASP A 72 31.775 2.857 -22.317 1.00 0.00 O ATOM 1043 CB ASP A 72 29.405 5.024 -22.654 1.00 0.00 C ATOM 1044 CG ASP A 72 29.653 4.791 -21.166 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.669 4.207 -20.833 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.820 5.210 -20.382 1.00 0.00 O ATOM 0 H ASP A 72 29.265 5.089 -25.027 1.00 0.00 H new ATOM 0 HA ASP A 72 31.475 5.175 -23.266 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.216 6.082 -22.834 1.00 0.00 H new ATOM 0 HB3 ASP A 72 28.512 4.483 -22.967 1.00 0.00 H new ATOM 1051 N VAL A 73 30.329 2.173 -23.814 1.00 0.00 N ATOM 1052 CA VAL A 73 30.652 0.752 -23.532 1.00 0.00 C ATOM 1053 C VAL A 73 32.054 0.462 -24.068 1.00 0.00 C ATOM 1054 O VAL A 73 32.780 -0.360 -23.555 1.00 0.00 O ATOM 1055 CB VAL A 73 29.661 -0.182 -24.215 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.852 -0.118 -25.734 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.914 -1.610 -23.740 1.00 0.00 C ATOM 0 H VAL A 73 29.619 2.326 -24.530 1.00 0.00 H new ATOM 0 HA VAL A 73 30.599 0.584 -22.456 1.00 0.00 H new ATOM 0 HB VAL A 73 28.644 0.121 -23.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.141 -0.787 -26.219 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.683 0.902 -26.079 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.868 -0.423 -25.986 1.00 0.00 H new ATOM 0 HG21 VAL A 73 29.208 -2.285 -24.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.932 -1.904 -23.997 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.783 -1.663 -22.659 1.00 0.00 H new ATOM 1067 N ALA A 74 32.454 1.151 -25.095 1.00 0.00 N ATOM 1068 CA ALA A 74 33.823 0.932 -25.617 1.00 0.00 C ATOM 1069 C ALA A 74 34.759 1.513 -24.571 1.00 0.00 C ATOM 1070 O ALA A 74 35.571 0.825 -23.987 1.00 0.00 O ATOM 1071 CB ALA A 74 34.007 1.661 -26.945 1.00 0.00 C ATOM 0 H ALA A 74 31.898 1.849 -25.590 1.00 0.00 H new ATOM 0 HA ALA A 74 34.020 -0.125 -25.796 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.018 1.491 -27.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.286 1.284 -27.670 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.849 2.730 -26.798 1.00 0.00 H new ATOM 1077 N ALA A 75 34.595 2.777 -24.288 1.00 0.00 N ATOM 1078 CA ALA A 75 35.414 3.418 -23.233 1.00 0.00 C ATOM 1079 C ALA A 75 35.211 2.610 -21.951 1.00 0.00 C ATOM 1080 O ALA A 75 36.044 2.587 -21.068 1.00 0.00 O ATOM 1081 CB ALA A 75 34.921 4.854 -23.024 1.00 0.00 C ATOM 0 H ALA A 75 33.924 3.392 -24.748 1.00 0.00 H new ATOM 0 HA ALA A 75 36.468 3.443 -23.508 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.518 5.334 -22.249 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.019 5.412 -23.955 1.00 0.00 H new ATOM 0 HB3 ALA A 75 33.875 4.839 -22.719 1.00 0.00 H new ATOM 1087 N TYR A 76 34.106 1.914 -21.878 1.00 0.00 N ATOM 1088 CA TYR A 76 33.812 1.063 -20.693 1.00 0.00 C ATOM 1089 C TYR A 76 34.887 -0.020 -20.658 1.00 0.00 C ATOM 1090 O TYR A 76 35.533 -0.227 -19.665 1.00 0.00 O ATOM 1091 CB TYR A 76 32.394 0.459 -20.872 1.00 0.00 C ATOM 1092 CG TYR A 76 31.944 -0.421 -19.738 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.818 -1.035 -18.843 1.00 0.00 C ATOM 1094 CD2 TYR A 76 30.603 -0.648 -19.626 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.325 -1.868 -17.840 1.00 0.00 C ATOM 1096 CE2 TYR A 76 30.117 -1.469 -18.632 1.00 0.00 C ATOM 1097 CZ TYR A 76 30.978 -2.083 -17.738 1.00 0.00 C ATOM 1098 OH TYR A 76 30.482 -2.900 -16.742 1.00 0.00 O ATOM 0 H TYR A 76 33.387 1.901 -22.601 1.00 0.00 H new ATOM 0 HA TYR A 76 33.825 1.619 -19.756 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.678 1.273 -20.990 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.373 -0.120 -21.795 1.00 0.00 H new ATOM 0 HD1 TYR A 76 33.881 -0.865 -18.927 1.00 0.00 H new ATOM 0 HD2 TYR A 76 29.919 -0.182 -20.320 1.00 0.00 H new ATOM 0 HE1 TYR A 76 33.004 -2.342 -17.146 1.00 0.00 H new ATOM 0 HE2 TYR A 76 29.053 -1.635 -18.549 1.00 0.00 H new ATOM 0 HH TYR A 76 30.590 -2.459 -15.873 1.00 0.00 H new ATOM 1108 N VAL A 77 35.105 -0.692 -21.747 1.00 0.00 N ATOM 1109 CA VAL A 77 36.156 -1.742 -21.767 1.00 0.00 C ATOM 1110 C VAL A 77 37.532 -1.092 -21.581 1.00 0.00 C ATOM 1111 O VAL A 77 38.472 -1.729 -21.142 1.00 0.00 O ATOM 1112 CB VAL A 77 36.097 -2.485 -23.101 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.348 -3.350 -23.268 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.851 -3.371 -23.121 1.00 0.00 C ATOM 0 H VAL A 77 34.602 -0.561 -22.625 1.00 0.00 H new ATOM 0 HA VAL A 77 35.989 -2.450 -20.956 1.00 0.00 H new ATOM 0 HB VAL A 77 36.052 -1.767 -23.920 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.301 -3.878 -24.221 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.234 -2.716 -23.248 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.401 -4.074 -22.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.800 -3.906 -24.069 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.902 -4.089 -22.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.962 -2.751 -23.006 1.00 0.00 H new ATOM 1124 N LEU A 78 37.659 0.175 -21.887 1.00 0.00 N ATOM 1125 CA LEU A 78 38.977 0.851 -21.702 1.00 0.00 C ATOM 1126 C LEU A 78 39.065 1.381 -20.268 1.00 0.00 C ATOM 1127 O LEU A 78 40.091 1.862 -19.829 1.00 0.00 O ATOM 1128 CB LEU A 78 39.116 2.020 -22.689 1.00 0.00 C ATOM 1129 CG LEU A 78 38.460 1.669 -24.032 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.001 2.600 -25.120 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.775 0.220 -24.408 1.00 0.00 C ATOM 0 H LEU A 78 36.913 0.766 -22.254 1.00 0.00 H new ATOM 0 HA LEU A 78 39.779 0.137 -21.888 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.650 2.913 -22.272 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.170 2.252 -22.842 1.00 0.00 H new ATOM 0 HG LEU A 78 37.380 1.790 -23.942 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.537 2.353 -26.075 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.771 3.634 -24.862 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.081 2.478 -25.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.305 -0.019 -25.362 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.854 0.093 -24.493 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.391 -0.448 -23.637 1.00 0.00 H new ATOM 1143 N ASP A 79 37.985 1.296 -19.538 1.00 0.00 N ATOM 1144 CA ASP A 79 37.965 1.780 -18.146 1.00 0.00 C ATOM 1145 C ASP A 79 38.181 0.594 -17.211 1.00 0.00 C ATOM 1146 O ASP A 79 38.892 0.669 -16.230 1.00 0.00 O ATOM 1147 CB ASP A 79 36.592 2.386 -17.874 1.00 0.00 C ATOM 1148 CG ASP A 79 36.718 3.510 -16.845 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.330 3.277 -15.815 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.202 4.585 -17.103 1.00 0.00 O ATOM 0 H ASP A 79 37.103 0.902 -19.864 1.00 0.00 H new ATOM 0 HA ASP A 79 38.746 2.523 -17.985 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.165 2.773 -18.799 1.00 0.00 H new ATOM 0 HB3 ASP A 79 35.912 1.618 -17.506 1.00 0.00 H new ATOM 1155 N GLN A 80 37.559 -0.502 -17.530 1.00 0.00 N ATOM 1156 CA GLN A 80 37.686 -1.725 -16.710 1.00 0.00 C ATOM 1157 C GLN A 80 39.078 -2.319 -16.908 1.00 0.00 C ATOM 1158 O GLN A 80 39.745 -2.702 -15.967 1.00 0.00 O ATOM 1159 CB GLN A 80 36.642 -2.715 -17.187 1.00 0.00 C ATOM 1160 CG GLN A 80 35.284 -2.027 -17.252 1.00 0.00 C ATOM 1161 CD GLN A 80 34.849 -1.616 -15.844 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.192 -2.370 -15.155 1.00 0.00 O ATOM 1163 NE2 GLN A 80 35.190 -0.442 -15.384 1.00 0.00 N ATOM 0 H GLN A 80 36.954 -0.600 -18.345 1.00 0.00 H new ATOM 0 HA GLN A 80 37.541 -1.498 -15.654 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.913 -3.101 -18.169 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.598 -3.568 -16.510 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.340 -1.150 -17.897 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.546 -2.698 -17.690 1.00 0.00 H new ATOM 0 HE21 GLN A 80 35.742 0.192 -15.962 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.905 -0.159 -14.447 1.00 0.00 H new ATOM 1172 N ALA A 81 39.521 -2.393 -18.132 1.00 0.00 N ATOM 1173 CA ALA A 81 40.872 -2.959 -18.404 1.00 0.00 C ATOM 1174 C ALA A 81 41.936 -1.924 -18.037 1.00 0.00 C ATOM 1175 O ALA A 81 43.121 -2.189 -18.091 1.00 0.00 O ATOM 1176 CB ALA A 81 40.988 -3.302 -19.891 1.00 0.00 C ATOM 0 H ALA A 81 39.005 -2.086 -18.957 1.00 0.00 H new ATOM 0 HA ALA A 81 41.018 -3.861 -17.809 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.976 -3.716 -20.093 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.226 -4.035 -20.156 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.845 -2.399 -20.485 1.00 0.00 H new ATOM 1182 N ALA A 82 41.521 -0.742 -17.676 1.00 0.00 N ATOM 1183 CA ALA A 82 42.494 0.316 -17.320 1.00 0.00 C ATOM 1184 C ALA A 82 43.087 0.054 -15.933 1.00 0.00 C ATOM 1185 O ALA A 82 44.067 0.661 -15.552 1.00 0.00 O ATOM 1186 CB ALA A 82 41.791 1.675 -17.323 1.00 0.00 C ATOM 0 H ALA A 82 40.541 -0.466 -17.613 1.00 0.00 H new ATOM 0 HA ALA A 82 43.300 0.313 -18.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 42.506 2.455 -17.061 1.00 0.00 H new ATOM 0 HB2 ALA A 82 41.386 1.873 -18.315 1.00 0.00 H new ATOM 0 HB3 ALA A 82 40.980 1.667 -16.595 1.00 0.00 H new ATOM 1192 N LYS A 83 42.509 -0.833 -15.163 1.00 0.00 N ATOM 1193 CA LYS A 83 43.068 -1.092 -13.805 1.00 0.00 C ATOM 1194 C LYS A 83 42.203 -2.087 -13.036 1.00 0.00 C ATOM 1195 O LYS A 83 41.598 -1.745 -12.040 1.00 0.00 O ATOM 1196 CB LYS A 83 43.100 0.210 -13.018 1.00 0.00 C ATOM 1197 CG LYS A 83 41.685 0.799 -12.955 1.00 0.00 C ATOM 1198 CD LYS A 83 41.482 1.764 -14.124 1.00 0.00 C ATOM 1199 CE LYS A 83 40.691 2.985 -13.646 1.00 0.00 C ATOM 1200 NZ LYS A 83 39.398 2.537 -13.053 1.00 0.00 N ATOM 0 H LYS A 83 41.686 -1.381 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 83 44.070 -1.503 -13.925 1.00 0.00 H new ATOM 0 HB2 LYS A 83 43.477 0.031 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 83 43.780 0.918 -13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 83 40.945 -0.000 -12.996 1.00 0.00 H new ATOM 0 HG3 LYS A 83 41.538 1.321 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 42.447 2.076 -14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 83 40.948 1.265 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 83 41.269 3.540 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 83 40.506 3.662 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 38.728 3.332 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 39.004 1.762 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.559 2.204 -12.081 1.00 0.00 H new ATOM 1214 N GLY A 84 42.139 -3.310 -13.465 1.00 0.00 N ATOM 1215 CA GLY A 84 41.314 -4.291 -12.722 1.00 0.00 C ATOM 1216 C GLY A 84 39.912 -4.308 -13.313 1.00 0.00 C ATOM 1217 O GLY A 84 38.998 -3.732 -12.771 1.00 0.00 O ATOM 0 H GLY A 84 42.617 -3.671 -14.290 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.761 -5.283 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.274 -4.026 -11.666 1.00 0.00 H new ATOM 1221 N TRP A 85 39.764 -4.955 -14.434 1.00 0.00 N ATOM 1222 CA TRP A 85 38.435 -5.043 -15.120 1.00 0.00 C ATOM 1223 C TRP A 85 37.311 -5.249 -14.099 1.00 0.00 C ATOM 1224 O TRP A 85 36.880 -6.357 -13.847 1.00 0.00 O ATOM 1225 CB TRP A 85 38.438 -6.228 -16.093 1.00 0.00 C ATOM 1226 CG TRP A 85 38.110 -5.755 -17.468 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.995 -5.588 -18.477 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.815 -5.383 -17.995 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.312 -5.139 -19.593 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.965 -5.001 -19.345 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.541 -5.343 -17.430 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.875 -4.592 -20.112 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.441 -4.924 -18.191 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.603 -4.550 -19.531 1.00 0.00 C ATOM 0 H TRP A 85 40.521 -5.438 -14.917 1.00 0.00 H new ATOM 0 HA TRP A 85 38.264 -4.111 -15.658 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.415 -6.711 -16.088 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.712 -6.975 -15.773 1.00 0.00 H new ATOM 0 HD1 TRP A 85 40.057 -5.774 -18.421 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.753 -4.935 -20.490 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.401 -5.637 -16.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.011 -4.310 -21.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.460 -4.889 -17.740 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.751 -4.231 -20.113 1.00 0.00 H new ATOM 1245 N ALA A 86 36.834 -4.188 -13.516 1.00 0.00 N ATOM 1246 CA ALA A 86 35.737 -4.297 -12.514 1.00 0.00 C ATOM 1247 C ALA A 86 36.074 -5.382 -11.490 1.00 0.00 C ATOM 1248 O ALA A 86 35.204 -5.916 -10.828 1.00 0.00 O ATOM 1249 CB ALA A 86 34.430 -4.652 -13.226 1.00 0.00 C ATOM 0 H ALA A 86 37.160 -3.238 -13.692 1.00 0.00 H new ATOM 0 HA ALA A 86 35.624 -3.343 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.627 -4.732 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.186 -3.873 -13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.545 -5.604 -13.744 1.00 0.00 H new