USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 757 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 3 THR OG1 : rot 66:sc= 1.2 USER MOD Set 1.2: A 35 SER OG : rot -100:sc= 0.535 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 20 CYS SG : rot -120:sc= 0.827 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.659 K(o=-0.66,f=-2.4!) USER MOD Single : A 29 THR OG1 : rot -7:sc= 0.692! USER MOD Single : A 30 GLN : amide:sc= -4.15! C(o=-4.2!,f=-5.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -36:sc= 0.242 USER MOD Single : A 36 ASN : amide:sc= -2.32 K(o=-2.3,f=-4.3) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= 0.227 F(o=-0.96,f=0.23) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 63 THR OG1 : rot 53:sc= -0.0715 USER MOD Single : A 65 THR OG1 : rot -173:sc= -1.08 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-6.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -2.27! USER MOD Single : A 89 SER OG : rot -42:sc= 0.215 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.419 0.650 -0.021 1.00 14.02 N ATOM 2 CA PRO A 1 2.184 0.558 -1.268 1.00 2.25 C ATOM 3 C PRO A 1 1.979 -0.776 -1.977 1.00 11.11 C ATOM 4 O PRO A 1 1.218 -1.626 -1.514 1.00 32.43 O ATOM 5 CB PRO A 1 3.636 0.699 -0.803 1.00 40.24 C ATOM 6 CG PRO A 1 3.628 0.234 0.612 1.00 41.11 C ATOM 7 CD PRO A 1 2.287 0.624 1.168 1.00 34.14 C ATOM 0 H2 PRO A 1 0.756 -0.124 0.027 1.00 14.02 H new ATOM 0 H3 PRO A 1 0.873 1.511 -0.022 1.00 14.02 H new ATOM 0 HA PRO A 1 1.878 1.314 -1.991 1.00 2.25 H new ATOM 0 HB2 PRO A 1 4.308 0.096 -1.414 1.00 40.24 H new ATOM 0 HB3 PRO A 1 3.977 1.731 -0.878 1.00 40.24 H new ATOM 0 HG2 PRO A 1 3.776 -0.844 0.669 1.00 41.11 H new ATOM 0 HG3 PRO A 1 4.435 0.697 1.179 1.00 41.11 H new ATOM 0 HD2 PRO A 1 1.934 -0.095 1.907 1.00 34.14 H new ATOM 0 HD3 PRO A 1 2.323 1.596 1.660 1.00 34.14 H new ATOM 15 N LEU A 2 2.662 -0.953 -3.102 1.00 71.34 N ATOM 16 CA LEU A 2 2.555 -2.185 -3.876 1.00 71.42 C ATOM 17 C LEU A 2 3.452 -2.134 -5.109 1.00 22.04 C ATOM 18 O LEU A 2 3.764 -1.058 -5.619 1.00 44.40 O ATOM 19 CB LEU A 2 1.104 -2.422 -4.297 1.00 55.25 C ATOM 20 CG LEU A 2 0.557 -3.830 -4.062 1.00 62.41 C ATOM 21 CD1 LEU A 2 -0.784 -3.770 -3.348 1.00 72.31 C ATOM 22 CD2 LEU A 2 0.429 -4.580 -5.380 1.00 52.22 C ATOM 0 H LEU A 2 3.296 -0.259 -3.499 1.00 71.34 H new ATOM 0 HA LEU A 2 2.883 -3.011 -3.245 1.00 71.42 H new ATOM 0 HB2 LEU A 2 0.471 -1.714 -3.761 1.00 55.25 H new ATOM 0 HB3 LEU A 2 1.013 -2.191 -5.358 1.00 55.25 H new ATOM 0 HG LEU A 2 1.259 -4.370 -3.427 1.00 62.41 H new ATOM 0 HD11 LEU A 2 -1.157 -4.782 -3.190 1.00 72.31 H new ATOM 0 HD12 LEU A 2 -0.662 -3.273 -2.385 1.00 72.31 H new ATOM 0 HD13 LEU A 2 -1.496 -3.212 -3.956 1.00 72.31 H new ATOM 0 HD21 LEU A 2 0.038 -5.580 -5.193 1.00 52.22 H new ATOM 0 HD22 LEU A 2 -0.251 -4.042 -6.040 1.00 52.22 H new ATOM 0 HD23 LEU A 2 1.408 -4.656 -5.852 1.00 52.22 H new ATOM 34 N THR A 3 3.863 -3.305 -5.584 1.00 62.54 N ATOM 35 CA THR A 3 4.723 -3.395 -6.757 1.00 44.35 C ATOM 36 C THR A 3 4.165 -4.383 -7.775 1.00 52.31 C ATOM 37 O THR A 3 3.257 -5.156 -7.470 1.00 20.24 O ATOM 38 CB THR A 3 6.153 -3.822 -6.375 1.00 32.43 C ATOM 39 OG1 THR A 3 7.045 -3.584 -7.469 1.00 1.41 O ATOM 40 CG2 THR A 3 6.193 -5.294 -5.993 1.00 22.33 C ATOM 0 H THR A 3 3.614 -4.205 -5.174 1.00 62.54 H new ATOM 0 HA THR A 3 4.755 -2.400 -7.201 1.00 44.35 H new ATOM 0 HB THR A 3 6.468 -3.230 -5.516 1.00 32.43 H new ATOM 0 HG1 THR A 3 7.110 -2.620 -7.634 1.00 1.41 H new ATOM 0 HG21 THR A 3 7.212 -5.573 -5.727 1.00 22.33 H new ATOM 0 HG22 THR A 3 5.535 -5.467 -5.141 1.00 22.33 H new ATOM 0 HG23 THR A 3 5.860 -5.898 -6.837 1.00 22.33 H new ATOM 48 N ARG A 4 4.713 -4.352 -8.985 1.00 62.13 N ATOM 49 CA ARG A 4 4.269 -5.245 -10.048 1.00 74.43 C ATOM 50 C ARG A 4 4.921 -6.618 -9.913 1.00 64.04 C ATOM 51 O ARG A 4 5.947 -6.783 -9.252 1.00 52.22 O ATOM 52 CB ARG A 4 4.595 -4.646 -11.417 1.00 42.23 C ATOM 53 CG ARG A 4 3.415 -3.948 -12.074 1.00 4.45 C ATOM 54 CD ARG A 4 3.684 -3.661 -13.543 1.00 23.24 C ATOM 55 NE ARG A 4 4.796 -2.731 -13.724 1.00 73.34 N ATOM 56 CZ ARG A 4 5.394 -2.521 -14.891 1.00 42.44 C ATOM 57 NH1 ARG A 4 4.990 -3.170 -15.974 1.00 70.03 N ATOM 58 NH2 ARG A 4 6.399 -1.658 -14.977 1.00 21.31 N ATOM 0 H ARG A 4 5.465 -3.718 -9.254 1.00 62.13 H new ATOM 0 HA ARG A 4 3.189 -5.364 -9.960 1.00 74.43 H new ATOM 0 HB2 ARG A 4 5.412 -3.933 -11.307 1.00 42.23 H new ATOM 0 HB3 ARG A 4 4.950 -5.439 -12.076 1.00 42.23 H new ATOM 0 HG2 ARG A 4 2.525 -4.570 -11.981 1.00 4.45 H new ATOM 0 HG3 ARG A 4 3.207 -3.014 -11.552 1.00 4.45 H new ATOM 0 HD2 ARG A 4 3.904 -4.595 -14.060 1.00 23.24 H new ATOM 0 HD3 ARG A 4 2.786 -3.247 -14.002 1.00 23.24 H new ATOM 0 HE ARG A 4 5.131 -2.215 -12.910 1.00 73.34 H new ATOM 0 HH11 ARG A 4 4.217 -3.833 -15.913 1.00 70.03 H new ATOM 0 HH12 ARG A 4 5.452 -3.006 -16.869 1.00 70.03 H new ATOM 0 HH21 ARG A 4 6.712 -1.156 -14.146 1.00 21.31 H new ATOM 0 HH22 ARG A 4 6.858 -1.497 -15.874 1.00 21.31 H new ATOM 72 N PRO A 5 4.314 -7.628 -10.554 1.00 41.22 N ATOM 73 CA PRO A 5 4.819 -9.004 -10.521 1.00 14.21 C ATOM 74 C PRO A 5 6.120 -9.163 -11.299 1.00 41.03 C ATOM 75 O PRO A 5 6.120 -9.627 -12.440 1.00 11.22 O ATOM 76 CB PRO A 5 3.698 -9.809 -11.183 1.00 54.32 C ATOM 77 CG PRO A 5 2.998 -8.831 -12.063 1.00 12.14 C ATOM 78 CD PRO A 5 3.088 -7.504 -11.361 1.00 24.00 C ATOM 0 HA PRO A 5 5.053 -9.328 -9.507 1.00 14.21 H new ATOM 0 HB2 PRO A 5 4.097 -10.644 -11.758 1.00 54.32 H new ATOM 0 HB3 PRO A 5 3.020 -10.229 -10.440 1.00 54.32 H new ATOM 0 HG2 PRO A 5 3.467 -8.785 -13.046 1.00 12.14 H new ATOM 0 HG3 PRO A 5 1.959 -9.120 -12.219 1.00 12.14 H new ATOM 0 HD2 PRO A 5 3.155 -6.678 -12.069 1.00 24.00 H new ATOM 0 HD3 PRO A 5 2.213 -7.319 -10.737 1.00 24.00 H new ATOM 86 N TYR A 6 7.228 -8.776 -10.676 1.00 74.21 N ATOM 87 CA TYR A 6 8.536 -8.874 -11.312 1.00 22.43 C ATOM 88 C TYR A 6 9.495 -9.699 -10.459 1.00 64.31 C ATOM 89 O TYR A 6 9.590 -9.507 -9.246 1.00 54.41 O ATOM 90 CB TYR A 6 9.117 -7.479 -11.548 1.00 64.54 C ATOM 91 CG TYR A 6 9.563 -7.243 -12.974 1.00 13.01 C ATOM 92 CD1 TYR A 6 8.924 -6.304 -13.775 1.00 3.11 C ATOM 93 CD2 TYR A 6 10.621 -7.959 -13.520 1.00 53.21 C ATOM 94 CE1 TYR A 6 9.327 -6.085 -15.078 1.00 41.21 C ATOM 95 CE2 TYR A 6 11.031 -7.745 -14.822 1.00 22.33 C ATOM 96 CZ TYR A 6 10.381 -6.808 -15.597 1.00 3.53 C ATOM 97 OH TYR A 6 10.786 -6.593 -16.894 1.00 43.12 O ATOM 0 H TYR A 6 7.246 -8.392 -9.731 1.00 74.21 H new ATOM 0 HA TYR A 6 8.409 -9.375 -12.272 1.00 22.43 H new ATOM 0 HB2 TYR A 6 8.368 -6.733 -11.282 1.00 64.54 H new ATOM 0 HB3 TYR A 6 9.966 -7.330 -10.881 1.00 64.54 H new ATOM 0 HD1 TYR A 6 8.099 -5.736 -13.372 1.00 3.11 H new ATOM 0 HD2 TYR A 6 11.131 -8.695 -12.917 1.00 53.21 H new ATOM 0 HE1 TYR A 6 8.820 -5.352 -15.687 1.00 41.21 H new ATOM 0 HE2 TYR A 6 11.857 -8.309 -15.231 1.00 22.33 H new ATOM 0 HH TYR A 6 11.541 -7.182 -17.103 1.00 43.12 H new ATOM 107 N LEU A 7 10.206 -10.619 -11.102 1.00 45.21 N ATOM 108 CA LEU A 7 11.160 -11.474 -10.405 1.00 24.33 C ATOM 109 C LEU A 7 12.586 -11.190 -10.867 1.00 30.12 C ATOM 110 O LEU A 7 12.871 -11.181 -12.063 1.00 63.15 O ATOM 111 CB LEU A 7 10.820 -12.947 -10.639 1.00 24.25 C ATOM 112 CG LEU A 7 10.930 -13.440 -12.082 1.00 31.42 C ATOM 113 CD1 LEU A 7 12.056 -14.454 -12.216 1.00 12.15 C ATOM 114 CD2 LEU A 7 9.610 -14.043 -12.541 1.00 41.11 C ATOM 0 H LEU A 7 10.140 -10.792 -12.105 1.00 45.21 H new ATOM 0 HA LEU A 7 11.093 -11.257 -9.339 1.00 24.33 H new ATOM 0 HB2 LEU A 7 11.478 -13.554 -10.018 1.00 24.25 H new ATOM 0 HB3 LEU A 7 9.802 -13.124 -10.292 1.00 24.25 H new ATOM 0 HG LEU A 7 11.159 -12.587 -12.721 1.00 31.42 H new ATOM 0 HD11 LEU A 7 12.119 -14.793 -13.250 1.00 12.15 H new ATOM 0 HD12 LEU A 7 12.999 -13.990 -11.928 1.00 12.15 H new ATOM 0 HD13 LEU A 7 11.858 -15.306 -11.566 1.00 12.15 H new ATOM 0 HD21 LEU A 7 9.706 -14.389 -13.570 1.00 41.11 H new ATOM 0 HD22 LEU A 7 9.351 -14.884 -11.898 1.00 41.11 H new ATOM 0 HD23 LEU A 7 8.826 -13.288 -12.484 1.00 41.11 H new ATOM 126 N GLY A 8 13.479 -10.960 -9.909 1.00 33.14 N ATOM 127 CA GLY A 8 14.864 -10.681 -10.237 1.00 44.02 C ATOM 128 C GLY A 8 15.829 -11.591 -9.503 1.00 1.45 C ATOM 129 O GLY A 8 16.945 -11.188 -9.173 1.00 13.43 O ATOM 0 H GLY A 8 13.267 -10.962 -8.911 1.00 33.14 H new ATOM 0 HA2 GLY A 8 15.009 -10.794 -11.311 1.00 44.02 H new ATOM 0 HA3 GLY A 8 15.090 -9.643 -9.992 1.00 44.02 H new ATOM 133 N PHE A 9 15.399 -12.821 -9.244 1.00 30.04 N ATOM 134 CA PHE A 9 16.232 -13.790 -8.540 1.00 53.24 C ATOM 135 C PHE A 9 15.761 -15.215 -8.818 1.00 45.55 C ATOM 136 O PHE A 9 14.692 -15.426 -9.391 1.00 22.01 O ATOM 137 CB PHE A 9 16.207 -13.517 -7.035 1.00 25.30 C ATOM 138 CG PHE A 9 14.902 -13.873 -6.382 1.00 64.33 C ATOM 139 CD1 PHE A 9 13.759 -13.134 -6.640 1.00 43.11 C ATOM 140 CD2 PHE A 9 14.819 -14.947 -5.511 1.00 32.05 C ATOM 141 CE1 PHE A 9 12.557 -13.459 -6.041 1.00 74.04 C ATOM 142 CE2 PHE A 9 13.619 -15.277 -4.909 1.00 71.13 C ATOM 143 CZ PHE A 9 12.487 -14.531 -5.174 1.00 73.51 C ATOM 0 H PHE A 9 14.479 -13.171 -9.511 1.00 30.04 H new ATOM 0 HA PHE A 9 17.254 -13.686 -8.904 1.00 53.24 H new ATOM 0 HB2 PHE A 9 17.008 -14.081 -6.558 1.00 25.30 H new ATOM 0 HB3 PHE A 9 16.414 -12.461 -6.862 1.00 25.30 H new ATOM 0 HD1 PHE A 9 13.808 -12.294 -7.317 1.00 43.11 H new ATOM 0 HD2 PHE A 9 15.701 -15.533 -5.300 1.00 32.05 H new ATOM 0 HE1 PHE A 9 11.673 -12.875 -6.251 1.00 74.04 H new ATOM 0 HE2 PHE A 9 13.567 -16.117 -4.232 1.00 71.13 H new ATOM 0 HZ PHE A 9 11.549 -14.786 -4.704 1.00 73.51 H new ATOM 153 N ARG A 10 16.568 -16.188 -8.409 1.00 65.05 N ATOM 154 CA ARG A 10 16.237 -17.593 -8.616 1.00 12.43 C ATOM 155 C ARG A 10 15.997 -18.296 -7.283 1.00 23.00 C ATOM 156 O ARG A 10 16.562 -17.915 -6.257 1.00 55.44 O ATOM 157 CB ARG A 10 17.358 -18.296 -9.382 1.00 25.43 C ATOM 158 CG ARG A 10 18.751 -17.935 -8.891 1.00 31.42 C ATOM 159 CD ARG A 10 19.754 -19.034 -9.204 1.00 23.32 C ATOM 160 NE ARG A 10 19.891 -19.258 -10.641 1.00 13.15 N ATOM 161 CZ ARG A 10 20.755 -20.116 -11.172 1.00 53.51 C ATOM 162 NH1 ARG A 10 21.554 -20.827 -10.389 1.00 44.25 N ATOM 163 NH2 ARG A 10 20.820 -20.263 -12.489 1.00 74.41 N ATOM 0 H ARG A 10 17.456 -16.030 -7.932 1.00 65.05 H new ATOM 0 HA ARG A 10 15.320 -17.642 -9.203 1.00 12.43 H new ATOM 0 HB2 ARG A 10 17.221 -19.374 -9.301 1.00 25.43 H new ATOM 0 HB3 ARG A 10 17.278 -18.044 -10.439 1.00 25.43 H new ATOM 0 HG2 ARG A 10 19.072 -17.004 -9.358 1.00 31.42 H new ATOM 0 HG3 ARG A 10 18.725 -17.760 -7.815 1.00 31.42 H new ATOM 0 HD2 ARG A 10 20.725 -18.769 -8.784 1.00 23.32 H new ATOM 0 HD3 ARG A 10 19.440 -19.959 -8.721 1.00 23.32 H new ATOM 0 HE ARG A 10 19.290 -18.726 -11.271 1.00 13.15 H new ATOM 0 HH11 ARG A 10 21.506 -20.716 -9.376 1.00 44.25 H new ATOM 0 HH12 ARG A 10 22.217 -21.485 -10.799 1.00 44.25 H new ATOM 0 HH21 ARG A 10 20.206 -19.717 -13.094 1.00 74.41 H new ATOM 0 HH22 ARG A 10 21.484 -20.922 -12.896 1.00 74.41 H new ATOM 177 N VAL A 11 15.156 -19.325 -7.306 1.00 21.15 N ATOM 178 CA VAL A 11 14.842 -20.082 -6.100 1.00 20.32 C ATOM 179 C VAL A 11 14.876 -21.583 -6.369 1.00 11.44 C ATOM 180 O VAL A 11 14.428 -22.046 -7.417 1.00 11.11 O ATOM 181 CB VAL A 11 13.457 -19.703 -5.544 1.00 12.24 C ATOM 182 CG1 VAL A 11 12.365 -20.054 -6.543 1.00 43.53 C ATOM 183 CG2 VAL A 11 13.211 -20.392 -4.210 1.00 64.40 C ATOM 0 H VAL A 11 14.680 -19.653 -8.146 1.00 21.15 H new ATOM 0 HA VAL A 11 15.603 -19.830 -5.361 1.00 20.32 H new ATOM 0 HB VAL A 11 13.434 -18.626 -5.381 1.00 12.24 H new ATOM 0 HG11 VAL A 11 11.394 -19.779 -6.132 1.00 43.53 H new ATOM 0 HG12 VAL A 11 12.533 -19.510 -7.472 1.00 43.53 H new ATOM 0 HG13 VAL A 11 12.384 -21.126 -6.742 1.00 43.53 H new ATOM 0 HG21 VAL A 11 12.228 -20.113 -3.832 1.00 64.40 H new ATOM 0 HG22 VAL A 11 13.254 -21.473 -4.345 1.00 64.40 H new ATOM 0 HG23 VAL A 11 13.975 -20.085 -3.496 1.00 64.40 H new ATOM 193 N ALA A 12 15.410 -22.337 -5.414 1.00 62.30 N ATOM 194 CA ALA A 12 15.500 -23.786 -5.546 1.00 64.04 C ATOM 195 C ALA A 12 14.804 -24.488 -4.386 1.00 12.25 C ATOM 196 O ALA A 12 15.150 -24.279 -3.223 1.00 24.42 O ATOM 197 CB ALA A 12 16.957 -24.219 -5.630 1.00 13.31 C ATOM 0 H ALA A 12 15.787 -21.969 -4.541 1.00 62.30 H new ATOM 0 HA ALA A 12 14.993 -24.074 -6.467 1.00 64.04 H new ATOM 0 HB1 ALA A 12 17.009 -25.303 -5.728 1.00 13.31 H new ATOM 0 HB2 ALA A 12 17.426 -23.753 -6.497 1.00 13.31 H new ATOM 0 HB3 ALA A 12 17.481 -23.911 -4.725 1.00 13.31 H new ATOM 203 N VAL A 13 13.819 -25.320 -4.708 1.00 71.23 N ATOM 204 CA VAL A 13 13.073 -26.053 -3.692 1.00 65.21 C ATOM 205 C VAL A 13 13.809 -27.324 -3.281 1.00 0.45 C ATOM 206 O VAL A 13 14.283 -28.081 -4.126 1.00 53.14 O ATOM 207 CB VAL A 13 11.665 -26.427 -4.190 1.00 33.21 C ATOM 208 CG1 VAL A 13 11.748 -27.203 -5.495 1.00 61.25 C ATOM 209 CG2 VAL A 13 10.921 -27.227 -3.131 1.00 71.22 C ATOM 0 H VAL A 13 13.519 -25.503 -5.665 1.00 71.23 H new ATOM 0 HA VAL A 13 12.981 -25.394 -2.829 1.00 65.21 H new ATOM 0 HB VAL A 13 11.109 -25.508 -4.377 1.00 33.21 H new ATOM 0 HG11 VAL A 13 10.743 -27.458 -5.831 1.00 61.25 H new ATOM 0 HG12 VAL A 13 12.239 -26.591 -6.252 1.00 61.25 H new ATOM 0 HG13 VAL A 13 12.322 -28.117 -5.339 1.00 61.25 H new ATOM 0 HG21 VAL A 13 9.928 -27.483 -3.500 1.00 71.22 H new ATOM 0 HG22 VAL A 13 11.473 -28.141 -2.911 1.00 71.22 H new ATOM 0 HG23 VAL A 13 10.829 -26.631 -2.223 1.00 71.22 H new ATOM 219 N GLY A 14 13.900 -27.551 -1.974 1.00 25.14 N ATOM 220 CA GLY A 14 14.580 -28.731 -1.472 1.00 35.41 C ATOM 221 C GLY A 14 14.275 -28.998 -0.011 1.00 61.52 C ATOM 222 O GLY A 14 13.238 -28.576 0.501 1.00 63.30 O ATOM 0 H GLY A 14 13.515 -26.939 -1.254 1.00 25.14 H new ATOM 0 HA2 GLY A 14 14.285 -29.596 -2.066 1.00 35.41 H new ATOM 0 HA3 GLY A 14 15.656 -28.608 -1.599 1.00 35.41 H new ATOM 226 N ARG A 15 15.180 -29.703 0.661 1.00 12.30 N ATOM 227 CA ARG A 15 15.001 -30.028 2.071 1.00 62.21 C ATOM 228 C ARG A 15 16.272 -29.734 2.862 1.00 4.30 C ATOM 229 O ARG A 15 17.383 -29.899 2.356 1.00 35.02 O ATOM 230 CB ARG A 15 14.617 -31.500 2.232 1.00 60.12 C ATOM 231 CG ARG A 15 13.171 -31.796 1.867 1.00 4.41 C ATOM 232 CD ARG A 15 12.963 -31.781 0.361 1.00 54.31 C ATOM 233 NE ARG A 15 12.103 -32.875 -0.083 1.00 43.35 N ATOM 234 CZ ARG A 15 11.921 -33.194 -1.360 1.00 12.01 C ATOM 235 NH1 ARG A 15 12.535 -32.506 -2.313 1.00 32.50 N ATOM 236 NH2 ARG A 15 11.123 -34.203 -1.685 1.00 61.22 N ATOM 0 H ARG A 15 16.044 -30.060 0.252 1.00 12.30 H new ATOM 0 HA ARG A 15 14.197 -29.405 2.463 1.00 62.21 H new ATOM 0 HB2 ARG A 15 15.272 -32.108 1.608 1.00 60.12 H new ATOM 0 HB3 ARG A 15 14.791 -31.801 3.265 1.00 60.12 H new ATOM 0 HG2 ARG A 15 12.886 -32.770 2.265 1.00 4.41 H new ATOM 0 HG3 ARG A 15 12.518 -31.058 2.333 1.00 4.41 H new ATOM 0 HD2 ARG A 15 12.521 -30.829 0.065 1.00 54.31 H new ATOM 0 HD3 ARG A 15 13.929 -31.853 -0.139 1.00 54.31 H new ATOM 0 HE ARG A 15 11.616 -33.424 0.626 1.00 43.35 H new ATOM 0 HH11 ARG A 15 13.149 -31.730 -2.067 1.00 32.50 H new ATOM 0 HH12 ARG A 15 12.393 -32.753 -3.292 1.00 32.50 H new ATOM 0 HH21 ARG A 15 10.649 -34.734 -0.954 1.00 61.22 H new ATOM 0 HH22 ARG A 15 10.984 -34.448 -2.665 1.00 61.22 H new ATOM 250 N ASP A 16 16.101 -29.297 4.105 1.00 45.53 N ATOM 251 CA ASP A 16 17.235 -28.979 4.966 1.00 35.43 C ATOM 252 C ASP A 16 17.531 -30.132 5.920 1.00 24.41 C ATOM 253 O ASP A 16 16.899 -31.186 5.852 1.00 71.24 O ATOM 254 CB ASP A 16 16.957 -27.702 5.761 1.00 73.51 C ATOM 255 CG ASP A 16 15.550 -27.666 6.326 1.00 62.44 C ATOM 256 OD1 ASP A 16 14.624 -27.267 5.588 1.00 24.32 O ATOM 257 OD2 ASP A 16 15.375 -28.038 7.505 1.00 71.24 O ATOM 0 H ASP A 16 15.189 -29.155 4.539 1.00 45.53 H new ATOM 0 HA ASP A 16 18.108 -28.820 4.333 1.00 35.43 H new ATOM 0 HB2 ASP A 16 17.675 -27.622 6.577 1.00 73.51 H new ATOM 0 HB3 ASP A 16 17.109 -26.836 5.117 1.00 73.51 H new ATOM 262 N SER A 17 18.498 -29.925 6.808 1.00 22.04 N ATOM 263 CA SER A 17 18.882 -30.949 7.773 1.00 45.20 C ATOM 264 C SER A 17 17.759 -31.201 8.774 1.00 70.32 C ATOM 265 O SER A 17 17.646 -32.291 9.335 1.00 74.24 O ATOM 266 CB SER A 17 20.155 -30.531 8.512 1.00 1.03 C ATOM 267 OG SER A 17 20.899 -31.663 8.927 1.00 31.53 O ATOM 0 H SER A 17 19.030 -29.058 6.879 1.00 22.04 H new ATOM 0 HA SER A 17 19.073 -31.873 7.228 1.00 45.20 H new ATOM 0 HB2 SER A 17 20.768 -29.907 7.862 1.00 1.03 H new ATOM 0 HB3 SER A 17 19.893 -29.926 9.380 1.00 1.03 H new ATOM 0 HG SER A 17 21.708 -31.369 9.395 1.00 31.53 H new ATOM 273 N SER A 18 16.930 -30.185 8.993 1.00 65.24 N ATOM 274 CA SER A 18 15.817 -30.294 9.928 1.00 25.24 C ATOM 275 C SER A 18 14.629 -30.998 9.280 1.00 41.54 C ATOM 276 O SER A 18 14.202 -32.061 9.728 1.00 43.23 O ATOM 277 CB SER A 18 15.398 -28.907 10.419 1.00 61.12 C ATOM 278 OG SER A 18 13.987 -28.780 10.445 1.00 71.44 O ATOM 0 H SER A 18 17.009 -29.277 8.535 1.00 65.24 H new ATOM 0 HA SER A 18 16.148 -30.888 10.780 1.00 25.24 H new ATOM 0 HB2 SER A 18 15.800 -28.734 11.417 1.00 61.12 H new ATOM 0 HB3 SER A 18 15.823 -28.143 9.768 1.00 61.12 H new ATOM 0 HG SER A 18 13.745 -27.885 10.764 1.00 71.44 H new ATOM 284 N GLY A 19 14.099 -30.394 8.220 1.00 72.42 N ATOM 285 CA GLY A 19 12.965 -30.976 7.526 1.00 52.23 C ATOM 286 C GLY A 19 11.697 -30.164 7.704 1.00 44.41 C ATOM 287 O GLY A 19 10.668 -30.692 8.127 1.00 2.50 O ATOM 0 H GLY A 19 14.434 -29.513 7.830 1.00 72.42 H new ATOM 0 HA2 GLY A 19 13.195 -31.056 6.464 1.00 52.23 H new ATOM 0 HA3 GLY A 19 12.799 -31.989 7.893 1.00 52.23 H new ATOM 291 N CYS A 20 11.771 -28.877 7.383 1.00 43.14 N ATOM 292 CA CYS A 20 10.621 -27.989 7.512 1.00 21.20 C ATOM 293 C CYS A 20 10.143 -27.515 6.143 1.00 25.13 C ATOM 294 O CYS A 20 9.320 -26.605 6.041 1.00 33.33 O ATOM 295 CB CYS A 20 10.975 -26.786 8.387 1.00 2.10 C ATOM 296 SG CYS A 20 10.217 -26.818 10.028 1.00 30.02 S ATOM 0 H CYS A 20 12.615 -28.425 7.032 1.00 43.14 H new ATOM 0 HA CYS A 20 9.813 -28.548 7.985 1.00 21.20 H new ATOM 0 HB2 CYS A 20 12.058 -26.739 8.500 1.00 2.10 H new ATOM 0 HB3 CYS A 20 10.668 -25.874 7.874 1.00 2.10 H new ATOM 0 HG CYS A 20 9.458 -25.773 10.176 1.00 30.02 H new ATOM 302 N THR A 21 10.667 -28.137 5.091 1.00 3.14 N ATOM 303 CA THR A 21 10.297 -27.777 3.728 1.00 21.15 C ATOM 304 C THR A 21 10.438 -26.277 3.498 1.00 3.12 C ATOM 305 O THR A 21 9.483 -25.519 3.670 1.00 40.34 O ATOM 306 CB THR A 21 8.851 -28.200 3.409 1.00 71.21 C ATOM 307 OG1 THR A 21 8.594 -29.506 3.937 1.00 25.21 O ATOM 308 CG2 THR A 21 8.606 -28.198 1.908 1.00 54.35 C ATOM 0 H THR A 21 11.349 -28.893 5.157 1.00 3.14 H new ATOM 0 HA THR A 21 10.979 -28.309 3.064 1.00 21.15 H new ATOM 0 HB THR A 21 8.175 -27.482 3.873 1.00 71.21 H new ATOM 0 HG1 THR A 21 7.672 -29.766 3.731 1.00 25.21 H new ATOM 0 HG21 THR A 21 7.578 -28.500 1.707 1.00 54.35 H new ATOM 0 HG22 THR A 21 8.774 -27.196 1.513 1.00 54.35 H new ATOM 0 HG23 THR A 21 9.290 -28.897 1.427 1.00 54.35 H new ATOM 316 N THR A 22 11.636 -25.853 3.108 1.00 43.22 N ATOM 317 CA THR A 22 11.903 -24.443 2.854 1.00 14.52 C ATOM 318 C THR A 22 12.760 -24.260 1.607 1.00 73.42 C ATOM 319 O THR A 22 13.475 -25.174 1.194 1.00 63.01 O ATOM 320 CB THR A 22 12.611 -23.781 4.051 1.00 1.41 C ATOM 321 OG1 THR A 22 13.212 -22.546 3.643 1.00 20.44 O ATOM 322 CG2 THR A 22 13.675 -24.702 4.628 1.00 61.44 C ATOM 0 H THR A 22 12.437 -26.467 2.961 1.00 43.22 H new ATOM 0 HA THR A 22 10.937 -23.962 2.701 1.00 14.52 H new ATOM 0 HB THR A 22 11.866 -23.585 4.822 1.00 1.41 H new ATOM 0 HG1 THR A 22 13.659 -22.131 4.410 1.00 20.44 H new ATOM 0 HG21 THR A 22 14.161 -24.213 5.472 1.00 61.44 H new ATOM 0 HG22 THR A 22 13.210 -25.629 4.964 1.00 61.44 H new ATOM 0 HG23 THR A 22 14.417 -24.926 3.862 1.00 61.44 H new ATOM 330 N LEU A 23 12.684 -23.076 1.010 1.00 14.14 N ATOM 331 CA LEU A 23 13.454 -22.773 -0.191 1.00 71.30 C ATOM 332 C LEU A 23 14.667 -21.912 0.143 1.00 44.42 C ATOM 333 O LEU A 23 14.711 -21.262 1.187 1.00 4.23 O ATOM 334 CB LEU A 23 12.574 -22.059 -1.218 1.00 60.14 C ATOM 335 CG LEU A 23 11.744 -22.960 -2.133 1.00 74.20 C ATOM 336 CD1 LEU A 23 10.953 -23.969 -1.314 1.00 43.10 C ATOM 337 CD2 LEU A 23 10.811 -22.126 -3.000 1.00 22.44 C ATOM 0 H LEU A 23 12.097 -22.310 1.338 1.00 14.14 H new ATOM 0 HA LEU A 23 13.805 -23.714 -0.615 1.00 71.30 H new ATOM 0 HB2 LEU A 23 11.896 -21.393 -0.685 1.00 60.14 H new ATOM 0 HB3 LEU A 23 13.212 -21.432 -1.841 1.00 60.14 H new ATOM 0 HG LEU A 23 12.424 -23.506 -2.787 1.00 74.20 H new ATOM 0 HD11 LEU A 23 10.368 -24.602 -1.982 1.00 43.10 H new ATOM 0 HD12 LEU A 23 11.640 -24.588 -0.737 1.00 43.10 H new ATOM 0 HD13 LEU A 23 10.283 -23.441 -0.635 1.00 43.10 H new ATOM 0 HD21 LEU A 23 10.228 -22.784 -3.645 1.00 22.44 H new ATOM 0 HD22 LEU A 23 10.138 -21.553 -2.363 1.00 22.44 H new ATOM 0 HD23 LEU A 23 11.398 -21.443 -3.614 1.00 22.44 H new ATOM 349 N SER A 24 15.650 -21.910 -0.753 1.00 12.35 N ATOM 350 CA SER A 24 16.865 -21.129 -0.552 1.00 50.14 C ATOM 351 C SER A 24 17.055 -20.120 -1.681 1.00 74.11 C ATOM 352 O SER A 24 16.625 -20.350 -2.812 1.00 14.41 O ATOM 353 CB SER A 24 18.082 -22.052 -0.469 1.00 31.43 C ATOM 354 OG SER A 24 19.145 -21.432 0.233 1.00 23.33 O ATOM 0 H SER A 24 15.628 -22.440 -1.624 1.00 12.35 H new ATOM 0 HA SER A 24 16.766 -20.584 0.387 1.00 50.14 H new ATOM 0 HB2 SER A 24 17.805 -22.980 0.030 1.00 31.43 H new ATOM 0 HB3 SER A 24 18.411 -22.316 -1.474 1.00 31.43 H new ATOM 0 HG SER A 24 19.910 -22.043 0.274 1.00 23.33 H new ATOM 360 N ILE A 25 17.701 -19.003 -1.365 1.00 60.02 N ATOM 361 CA ILE A 25 17.949 -17.959 -2.352 1.00 72.41 C ATOM 362 C ILE A 25 19.340 -18.097 -2.960 1.00 63.24 C ATOM 363 O ILE A 25 20.323 -18.298 -2.247 1.00 34.12 O ATOM 364 CB ILE A 25 17.808 -16.556 -1.734 1.00 54.45 C ATOM 365 CG1 ILE A 25 17.727 -15.496 -2.835 1.00 45.13 C ATOM 366 CG2 ILE A 25 18.973 -16.269 -0.799 1.00 51.34 C ATOM 367 CD1 ILE A 25 17.596 -14.085 -2.307 1.00 45.41 C ATOM 0 H ILE A 25 18.062 -18.797 -0.434 1.00 60.02 H new ATOM 0 HA ILE A 25 17.200 -18.080 -3.134 1.00 72.41 H new ATOM 0 HB ILE A 25 16.886 -16.522 -1.154 1.00 54.45 H new ATOM 0 HG12 ILE A 25 18.620 -15.561 -3.457 1.00 45.13 H new ATOM 0 HG13 ILE A 25 16.874 -15.716 -3.477 1.00 45.13 H new ATOM 0 HG21 ILE A 25 18.859 -15.273 -0.370 1.00 51.34 H new ATOM 0 HG22 ILE A 25 18.988 -17.009 0.001 1.00 51.34 H new ATOM 0 HG23 ILE A 25 19.908 -16.318 -1.357 1.00 51.34 H new ATOM 0 HD11 ILE A 25 17.544 -13.387 -3.143 1.00 45.41 H new ATOM 0 HD12 ILE A 25 16.688 -14.003 -1.709 1.00 45.41 H new ATOM 0 HD13 ILE A 25 18.461 -13.846 -1.688 1.00 45.41 H new ATOM 379 N GLN A 26 19.416 -17.986 -4.283 1.00 33.13 N ATOM 380 CA GLN A 26 20.688 -18.097 -4.987 1.00 33.41 C ATOM 381 C GLN A 26 21.118 -16.747 -5.550 1.00 51.03 C ATOM 382 O GLN A 26 22.299 -16.521 -5.810 1.00 42.12 O ATOM 383 CB GLN A 26 20.582 -19.124 -6.116 1.00 13.01 C ATOM 384 CG GLN A 26 20.797 -20.557 -5.657 1.00 71.21 C ATOM 385 CD GLN A 26 19.585 -21.435 -5.898 1.00 70.43 C ATOM 386 OE1 GLN A 26 19.685 -22.496 -6.516 1.00 5.02 O ATOM 387 NE2 GLN A 26 18.430 -20.998 -5.411 1.00 10.41 N ATOM 0 H GLN A 26 18.612 -17.819 -4.888 1.00 33.13 H new ATOM 0 HA GLN A 26 21.442 -18.429 -4.273 1.00 33.41 H new ATOM 0 HB2 GLN A 26 19.598 -19.043 -6.578 1.00 13.01 H new ATOM 0 HB3 GLN A 26 21.316 -18.883 -6.885 1.00 13.01 H new ATOM 0 HG2 GLN A 26 21.655 -20.977 -6.181 1.00 71.21 H new ATOM 0 HG3 GLN A 26 21.039 -20.562 -4.594 1.00 71.21 H new ATOM 0 HE21 GLN A 26 18.392 -20.113 -4.905 1.00 10.41 H new ATOM 0 HE22 GLN A 26 17.581 -21.547 -5.543 1.00 10.41 H new ATOM 396 N GLU A 27 20.151 -15.854 -5.737 1.00 1.25 N ATOM 397 CA GLU A 27 20.431 -14.526 -6.271 1.00 22.14 C ATOM 398 C GLU A 27 20.107 -13.446 -5.242 1.00 74.42 C ATOM 399 O GLU A 27 19.866 -13.741 -4.071 1.00 54.23 O ATOM 400 CB GLU A 27 19.626 -14.286 -7.549 1.00 61.25 C ATOM 401 CG GLU A 27 20.431 -13.637 -8.663 1.00 1.04 C ATOM 402 CD GLU A 27 21.069 -14.653 -9.590 1.00 5.11 C ATOM 403 OE1 GLU A 27 21.255 -15.812 -9.162 1.00 13.50 O ATOM 404 OE2 GLU A 27 21.384 -14.290 -10.742 1.00 51.24 O ATOM 0 H GLU A 27 19.168 -16.026 -5.527 1.00 1.25 H new ATOM 0 HA GLU A 27 21.494 -14.473 -6.505 1.00 22.14 H new ATOM 0 HB2 GLU A 27 19.232 -15.238 -7.904 1.00 61.25 H new ATOM 0 HB3 GLU A 27 18.769 -13.654 -7.315 1.00 61.25 H new ATOM 0 HG2 GLU A 27 19.780 -12.981 -9.242 1.00 1.04 H new ATOM 0 HG3 GLU A 27 21.209 -13.010 -8.227 1.00 1.04 H new ATOM 411 N VAL A 28 20.103 -12.194 -5.688 1.00 60.35 N ATOM 412 CA VAL A 28 19.808 -11.070 -4.808 1.00 51.14 C ATOM 413 C VAL A 28 18.509 -10.381 -5.213 1.00 64.32 C ATOM 414 O VAL A 28 18.350 -9.954 -6.357 1.00 41.40 O ATOM 415 CB VAL A 28 20.949 -10.035 -4.817 1.00 61.55 C ATOM 416 CG1 VAL A 28 20.770 -9.032 -3.688 1.00 72.51 C ATOM 417 CG2 VAL A 28 22.298 -10.731 -4.715 1.00 44.52 C ATOM 0 H VAL A 28 20.301 -11.933 -6.654 1.00 60.35 H new ATOM 0 HA VAL A 28 19.703 -11.475 -3.802 1.00 51.14 H new ATOM 0 HB VAL A 28 20.916 -9.491 -5.761 1.00 61.55 H new ATOM 0 HG11 VAL A 28 21.586 -8.309 -3.711 1.00 72.51 H new ATOM 0 HG12 VAL A 28 19.820 -8.512 -3.811 1.00 72.51 H new ATOM 0 HG13 VAL A 28 20.776 -9.555 -2.732 1.00 72.51 H new ATOM 0 HG21 VAL A 28 23.093 -9.986 -4.723 1.00 44.52 H new ATOM 0 HG22 VAL A 28 22.344 -11.301 -3.787 1.00 44.52 H new ATOM 0 HG23 VAL A 28 22.424 -11.405 -5.562 1.00 44.52 H new ATOM 427 N THR A 29 17.581 -10.276 -4.267 1.00 25.42 N ATOM 428 CA THR A 29 16.296 -9.640 -4.524 1.00 72.32 C ATOM 429 C THR A 29 16.093 -8.426 -3.625 1.00 45.23 C ATOM 430 O THR A 29 15.174 -7.635 -3.834 1.00 32.12 O ATOM 431 CB THR A 29 15.130 -10.623 -4.310 1.00 34.53 C ATOM 432 OG1 THR A 29 13.886 -9.914 -4.304 1.00 74.33 O ATOM 433 CG2 THR A 29 15.294 -11.380 -3.000 1.00 74.12 C ATOM 0 H THR A 29 17.696 -10.624 -3.315 1.00 25.42 H new ATOM 0 HA THR A 29 16.305 -9.320 -5.566 1.00 72.32 H new ATOM 0 HB THR A 29 15.134 -11.341 -5.130 1.00 34.53 H new ATOM 0 HG1 THR A 29 14.059 -8.950 -4.331 1.00 74.33 H new ATOM 0 HG21 THR A 29 14.459 -12.068 -2.870 1.00 74.12 H new ATOM 0 HG22 THR A 29 16.228 -11.942 -3.019 1.00 74.12 H new ATOM 0 HG23 THR A 29 15.313 -10.673 -2.171 1.00 74.12 H new ATOM 441 N GLN A 30 16.959 -8.284 -2.626 1.00 74.13 N ATOM 442 CA GLN A 30 16.874 -7.165 -1.696 1.00 15.32 C ATOM 443 C GLN A 30 17.590 -5.939 -2.252 1.00 5.11 C ATOM 444 O GLN A 30 17.704 -4.914 -1.579 1.00 54.53 O ATOM 445 CB GLN A 30 17.474 -7.552 -0.343 1.00 42.33 C ATOM 446 CG GLN A 30 16.463 -7.558 0.792 1.00 62.31 C ATOM 447 CD GLN A 30 15.991 -6.166 1.161 1.00 54.15 C ATOM 448 OE1 GLN A 30 14.790 -5.911 1.260 1.00 31.43 O ATOM 449 NE2 GLN A 30 16.935 -5.255 1.366 1.00 53.14 N ATOM 0 H GLN A 30 17.727 -8.930 -2.441 1.00 74.13 H new ATOM 0 HA GLN A 30 15.821 -6.917 -1.561 1.00 15.32 H new ATOM 0 HB2 GLN A 30 17.923 -8.542 -0.424 1.00 42.33 H new ATOM 0 HB3 GLN A 30 18.277 -6.857 -0.099 1.00 42.33 H new ATOM 0 HG2 GLN A 30 15.604 -8.164 0.505 1.00 62.31 H new ATOM 0 HG3 GLN A 30 16.908 -8.030 1.668 1.00 62.31 H new ATOM 0 HE21 GLN A 30 17.918 -5.510 1.273 1.00 53.14 H new ATOM 0 HE22 GLN A 30 16.677 -4.300 1.616 1.00 53.14 H new ATOM 458 N THR A 31 18.075 -6.051 -3.485 1.00 75.11 N ATOM 459 CA THR A 31 18.782 -4.953 -4.131 1.00 50.03 C ATOM 460 C THR A 31 17.975 -4.388 -5.294 1.00 52.34 C ATOM 461 O THR A 31 18.516 -3.707 -6.166 1.00 4.34 O ATOM 462 CB THR A 31 20.162 -5.401 -4.649 1.00 11.02 C ATOM 463 OG1 THR A 31 20.064 -6.700 -5.243 1.00 62.10 O ATOM 464 CG2 THR A 31 21.180 -5.430 -3.519 1.00 2.20 C ATOM 0 H THR A 31 17.991 -6.892 -4.056 1.00 75.11 H new ATOM 0 HA THR A 31 18.919 -4.178 -3.377 1.00 50.03 H new ATOM 0 HB THR A 31 20.495 -4.683 -5.399 1.00 11.02 H new ATOM 0 HG1 THR A 31 20.945 -6.977 -5.571 1.00 62.10 H new ATOM 0 HG21 THR A 31 22.147 -5.749 -3.908 1.00 2.20 H new ATOM 0 HG22 THR A 31 21.274 -4.433 -3.088 1.00 2.20 H new ATOM 0 HG23 THR A 31 20.850 -6.128 -2.750 1.00 2.20 H new ATOM 472 N TYR A 32 16.678 -4.673 -5.302 1.00 74.41 N ATOM 473 CA TYR A 32 15.796 -4.194 -6.360 1.00 32.41 C ATOM 474 C TYR A 32 14.676 -3.331 -5.787 1.00 3.15 C ATOM 475 O TYR A 32 14.197 -3.569 -4.677 1.00 61.34 O ATOM 476 CB TYR A 32 15.201 -5.374 -7.130 1.00 61.53 C ATOM 477 CG TYR A 32 14.300 -4.960 -8.271 1.00 73.23 C ATOM 478 CD1 TYR A 32 14.799 -4.243 -9.352 1.00 21.04 C ATOM 479 CD2 TYR A 32 12.949 -5.285 -8.269 1.00 11.12 C ATOM 480 CE1 TYR A 32 13.979 -3.862 -10.396 1.00 42.31 C ATOM 481 CE2 TYR A 32 12.122 -4.909 -9.310 1.00 30.14 C ATOM 482 CZ TYR A 32 12.642 -4.197 -10.371 1.00 33.52 C ATOM 483 OH TYR A 32 11.821 -3.820 -11.409 1.00 10.02 O ATOM 0 H TYR A 32 16.214 -5.234 -4.588 1.00 74.41 H new ATOM 0 HA TYR A 32 16.388 -3.584 -7.042 1.00 32.41 H new ATOM 0 HB2 TYR A 32 16.012 -5.987 -7.523 1.00 61.53 H new ATOM 0 HB3 TYR A 32 14.635 -5.999 -6.440 1.00 61.53 H new ATOM 0 HD1 TYR A 32 15.846 -3.979 -9.376 1.00 21.04 H new ATOM 0 HD2 TYR A 32 12.538 -5.841 -7.439 1.00 11.12 H new ATOM 0 HE1 TYR A 32 14.383 -3.304 -11.228 1.00 42.31 H new ATOM 0 HE2 TYR A 32 11.074 -5.171 -9.293 1.00 30.14 H new ATOM 0 HH TYR A 32 10.909 -4.136 -11.236 1.00 10.02 H new ATOM 493 N THR A 33 14.263 -2.325 -6.551 1.00 74.24 N ATOM 494 CA THR A 33 13.200 -1.425 -6.121 1.00 44.25 C ATOM 495 C THR A 33 12.604 -0.673 -7.306 1.00 3.42 C ATOM 496 O THR A 33 13.226 -0.564 -8.362 1.00 23.53 O ATOM 497 CB THR A 33 13.712 -0.406 -5.086 1.00 4.10 C ATOM 498 OG1 THR A 33 14.585 -1.052 -4.152 1.00 72.45 O ATOM 499 CG2 THR A 33 12.553 0.238 -4.342 1.00 13.54 C ATOM 0 H THR A 33 14.649 -2.113 -7.471 1.00 74.24 H new ATOM 0 HA THR A 33 12.429 -2.043 -5.661 1.00 44.25 H new ATOM 0 HB THR A 33 14.260 0.373 -5.616 1.00 4.10 H new ATOM 0 HG1 THR A 33 14.264 -1.962 -3.980 1.00 72.45 H new ATOM 0 HG21 THR A 33 12.939 0.954 -3.616 1.00 13.54 H new ATOM 0 HG22 THR A 33 11.907 0.754 -5.052 1.00 13.54 H new ATOM 0 HG23 THR A 33 11.981 -0.531 -3.823 1.00 13.54 H new ATOM 507 N GLY A 34 11.394 -0.153 -7.123 1.00 20.12 N ATOM 508 CA GLY A 34 10.734 0.583 -8.185 1.00 44.22 C ATOM 509 C GLY A 34 9.419 1.191 -7.740 1.00 21.25 C ATOM 510 O GLY A 34 9.027 2.256 -8.215 1.00 1.41 O ATOM 0 H GLY A 34 10.859 -0.229 -6.258 1.00 20.12 H new ATOM 0 HA2 GLY A 34 11.395 1.374 -8.539 1.00 44.22 H new ATOM 0 HA3 GLY A 34 10.555 -0.084 -9.028 1.00 44.22 H new ATOM 514 N SER A 35 8.735 0.511 -6.825 1.00 72.10 N ATOM 515 CA SER A 35 7.453 0.987 -6.319 1.00 52.41 C ATOM 516 C SER A 35 7.601 1.550 -4.909 1.00 34.34 C ATOM 517 O SER A 35 8.265 0.957 -4.059 1.00 55.51 O ATOM 518 CB SER A 35 6.426 -0.146 -6.323 1.00 74.34 C ATOM 519 OG SER A 35 6.639 -1.024 -7.415 1.00 42.14 O ATOM 0 H SER A 35 9.047 -0.371 -6.419 1.00 72.10 H new ATOM 0 HA SER A 35 7.105 1.785 -6.975 1.00 52.41 H new ATOM 0 HB2 SER A 35 6.490 -0.702 -5.388 1.00 74.34 H new ATOM 0 HB3 SER A 35 5.420 0.271 -6.378 1.00 74.34 H new ATOM 0 HG SER A 35 6.007 -0.812 -8.133 1.00 42.14 H new ATOM 525 N ASN A 36 6.976 2.698 -4.668 1.00 20.03 N ATOM 526 CA ASN A 36 7.038 3.342 -3.361 1.00 13.03 C ATOM 527 C ASN A 36 8.481 3.465 -2.883 1.00 3.25 C ATOM 528 O ASN A 36 8.751 3.460 -1.682 1.00 64.03 O ATOM 529 CB ASN A 36 6.216 2.552 -2.340 1.00 64.42 C ATOM 530 CG ASN A 36 5.776 3.405 -1.166 1.00 44.04 C ATOM 531 OD1 ASN A 36 6.039 3.073 -0.010 1.00 43.33 O ATOM 532 ND2 ASN A 36 5.103 4.511 -1.459 1.00 55.21 N ATOM 0 H ASN A 36 6.421 3.201 -5.360 1.00 20.03 H new ATOM 0 HA ASN A 36 6.619 4.344 -3.457 1.00 13.03 H new ATOM 0 HB2 ASN A 36 5.337 2.134 -2.831 1.00 64.42 H new ATOM 0 HB3 ASN A 36 6.807 1.712 -1.974 1.00 64.42 H new ATOM 0 HD21 ASN A 36 4.781 5.125 -0.711 1.00 55.21 H new ATOM 0 HD22 ASN A 36 4.908 4.746 -2.432 1.00 55.21 H new ATOM 539 N GLY A 37 9.406 3.577 -3.832 1.00 21.55 N ATOM 540 CA GLY A 37 10.811 3.700 -3.488 1.00 14.02 C ATOM 541 C GLY A 37 11.659 4.141 -4.664 1.00 53.50 C ATOM 542 O GLY A 37 12.323 5.175 -4.606 1.00 3.12 O ATOM 0 H GLY A 37 9.208 3.585 -4.832 1.00 21.55 H new ATOM 0 HA2 GLY A 37 10.921 4.418 -2.675 1.00 14.02 H new ATOM 0 HA3 GLY A 37 11.177 2.742 -3.119 1.00 14.02 H new ATOM 546 N GLY A 38 11.637 3.355 -5.736 1.00 23.43 N ATOM 547 CA GLY A 38 12.416 3.686 -6.915 1.00 33.12 C ATOM 548 C GLY A 38 13.886 3.884 -6.602 1.00 73.04 C ATOM 549 O GLY A 38 14.337 5.010 -6.396 1.00 11.05 O ATOM 0 H GLY A 38 11.094 2.495 -5.809 1.00 23.43 H new ATOM 0 HA2 GLY A 38 12.309 2.891 -7.653 1.00 33.12 H new ATOM 0 HA3 GLY A 38 12.018 4.595 -7.366 1.00 33.12 H new ATOM 553 N ALA A 39 14.634 2.787 -6.566 1.00 64.43 N ATOM 554 CA ALA A 39 16.062 2.845 -6.277 1.00 71.10 C ATOM 555 C ALA A 39 16.683 1.452 -6.297 1.00 3.53 C ATOM 556 O ALA A 39 17.255 1.003 -5.303 1.00 52.30 O ATOM 557 CB ALA A 39 16.301 3.513 -4.931 1.00 33.41 C ATOM 0 H ALA A 39 14.275 1.847 -6.733 1.00 64.43 H new ATOM 0 HA ALA A 39 16.542 3.439 -7.055 1.00 71.10 H new ATOM 0 HB1 ALA A 39 17.371 3.550 -4.728 1.00 33.41 H new ATOM 0 HB2 ALA A 39 15.901 4.527 -4.952 1.00 33.41 H new ATOM 0 HB3 ALA A 39 15.802 2.942 -4.148 1.00 33.41 H new ATOM 563 N ASP A 40 16.567 0.774 -7.433 1.00 3.11 N ATOM 564 CA ASP A 40 17.118 -0.568 -7.582 1.00 4.11 C ATOM 565 C ASP A 40 18.643 -0.533 -7.571 1.00 24.43 C ATOM 566 O ASP A 40 19.270 -0.023 -8.500 1.00 64.11 O ATOM 567 CB ASP A 40 16.620 -1.206 -8.879 1.00 52.14 C ATOM 568 CG ASP A 40 17.053 -0.432 -10.109 1.00 12.21 C ATOM 569 OD1 ASP A 40 16.610 0.725 -10.269 1.00 13.14 O ATOM 570 OD2 ASP A 40 17.835 -0.982 -10.911 1.00 23.40 O ATOM 0 H ASP A 40 16.096 1.131 -8.264 1.00 3.11 H new ATOM 0 HA ASP A 40 16.780 -1.169 -6.738 1.00 4.11 H new ATOM 0 HB2 ASP A 40 16.995 -2.227 -8.945 1.00 52.14 H new ATOM 0 HB3 ASP A 40 15.532 -1.267 -8.856 1.00 52.14 H new ATOM 575 N LEU A 41 19.235 -1.078 -6.513 1.00 74.32 N ATOM 576 CA LEU A 41 20.687 -1.109 -6.380 1.00 30.31 C ATOM 577 C LEU A 41 21.101 -1.811 -5.090 1.00 54.31 C ATOM 578 O LEU A 41 20.290 -2.475 -4.446 1.00 74.41 O ATOM 579 CB LEU A 41 21.252 0.312 -6.405 1.00 15.24 C ATOM 580 CG LEU A 41 22.544 0.507 -7.198 1.00 51.42 C ATOM 581 CD1 LEU A 41 22.236 0.759 -8.666 1.00 60.42 C ATOM 582 CD2 LEU A 41 23.358 1.655 -6.618 1.00 73.01 C ATOM 0 H LEU A 41 18.731 -1.504 -5.735 1.00 74.32 H new ATOM 0 HA LEU A 41 21.092 -1.669 -7.223 1.00 30.31 H new ATOM 0 HB2 LEU A 41 20.493 0.976 -6.817 1.00 15.24 H new ATOM 0 HB3 LEU A 41 21.429 0.629 -5.377 1.00 15.24 H new ATOM 0 HG LEU A 41 23.135 -0.406 -7.123 1.00 51.42 H new ATOM 0 HD11 LEU A 41 23.168 0.896 -9.215 1.00 60.42 H new ATOM 0 HD12 LEU A 41 21.695 -0.094 -9.076 1.00 60.42 H new ATOM 0 HD13 LEU A 41 21.624 1.656 -8.761 1.00 60.42 H new ATOM 0 HD21 LEU A 41 24.274 1.779 -7.195 1.00 73.01 H new ATOM 0 HD22 LEU A 41 22.774 2.574 -6.662 1.00 73.01 H new ATOM 0 HD23 LEU A 41 23.610 1.435 -5.581 1.00 73.01 H new ATOM 594 N MET A 42 22.367 -1.656 -4.718 1.00 41.33 N ATOM 595 CA MET A 42 22.887 -2.272 -3.503 1.00 42.41 C ATOM 596 C MET A 42 23.257 -1.211 -2.471 1.00 44.25 C ATOM 597 O MET A 42 24.191 -0.435 -2.672 1.00 52.02 O ATOM 598 CB MET A 42 24.109 -3.134 -3.826 1.00 32.34 C ATOM 599 CG MET A 42 23.959 -3.947 -5.101 1.00 70.42 C ATOM 600 SD MET A 42 24.767 -5.556 -4.998 1.00 74.23 S ATOM 601 CE MET A 42 24.886 -5.987 -6.733 1.00 13.22 C ATOM 0 H MET A 42 23.052 -1.109 -5.240 1.00 41.33 H new ATOM 0 HA MET A 42 22.105 -2.905 -3.083 1.00 42.41 H new ATOM 0 HB2 MET A 42 24.984 -2.490 -3.916 1.00 32.34 H new ATOM 0 HB3 MET A 42 24.296 -3.811 -2.993 1.00 32.34 H new ATOM 0 HG2 MET A 42 22.900 -4.090 -5.314 1.00 70.42 H new ATOM 0 HG3 MET A 42 24.379 -3.387 -5.936 1.00 70.42 H new ATOM 0 HE1 MET A 42 25.366 -6.960 -6.834 1.00 13.22 H new ATOM 0 HE2 MET A 42 23.887 -6.028 -7.167 1.00 13.22 H new ATOM 0 HE3 MET A 42 25.478 -5.235 -7.255 1.00 13.22 H new ATOM 611 N GLY A 43 22.519 -1.183 -1.366 1.00 54.22 N ATOM 612 CA GLY A 43 22.785 -0.213 -0.320 1.00 50.22 C ATOM 613 C GLY A 43 22.093 -0.561 0.983 1.00 40.52 C ATOM 614 O GLY A 43 22.730 -0.929 1.970 1.00 42.41 O ATOM 0 H GLY A 43 21.741 -1.815 -1.176 1.00 54.22 H new ATOM 0 HA2 GLY A 43 23.860 -0.151 -0.151 1.00 50.22 H new ATOM 0 HA3 GLY A 43 22.456 0.772 -0.650 1.00 50.22 H new ATOM 618 N PRO A 44 20.757 -0.443 0.998 1.00 70.04 N ATOM 619 CA PRO A 44 19.949 -0.742 2.184 1.00 40.04 C ATOM 620 C PRO A 44 19.919 -2.232 2.504 1.00 25.53 C ATOM 621 O PRO A 44 19.561 -2.632 3.612 1.00 50.33 O ATOM 622 CB PRO A 44 18.552 -0.251 1.794 1.00 4.15 C ATOM 623 CG PRO A 44 18.530 -0.314 0.306 1.00 34.33 C ATOM 624 CD PRO A 44 19.932 -0.010 -0.143 1.00 1.33 C ATOM 0 HA PRO A 44 20.349 -0.267 3.080 1.00 40.04 H new ATOM 0 HB2 PRO A 44 17.776 -0.881 2.228 1.00 4.15 H new ATOM 0 HB3 PRO A 44 18.375 0.764 2.150 1.00 4.15 H new ATOM 0 HG2 PRO A 44 18.215 -1.299 -0.038 1.00 34.33 H new ATOM 0 HG3 PRO A 44 17.824 0.408 -0.105 1.00 34.33 H new ATOM 0 HD2 PRO A 44 20.189 -0.552 -1.053 1.00 1.33 H new ATOM 0 HD3 PRO A 44 20.065 1.051 -0.355 1.00 1.33 H new ATOM 632 N ALA A 45 20.299 -3.051 1.528 1.00 0.42 N ATOM 633 CA ALA A 45 20.318 -4.497 1.708 1.00 42.01 C ATOM 634 C ALA A 45 21.496 -4.927 2.576 1.00 13.34 C ATOM 635 O ALA A 45 21.351 -5.768 3.464 1.00 42.13 O ATOM 636 CB ALA A 45 20.373 -5.196 0.358 1.00 40.15 C ATOM 0 H ALA A 45 20.598 -2.737 0.605 1.00 0.42 H new ATOM 0 HA ALA A 45 19.399 -4.787 2.218 1.00 42.01 H new ATOM 0 HB1 ALA A 45 20.387 -6.276 0.508 1.00 40.15 H new ATOM 0 HB2 ALA A 45 19.497 -4.922 -0.229 1.00 40.15 H new ATOM 0 HB3 ALA A 45 21.275 -4.892 -0.173 1.00 40.15 H new ATOM 642 N PHE A 46 22.661 -4.345 2.315 1.00 43.42 N ATOM 643 CA PHE A 46 23.865 -4.669 3.072 1.00 53.12 C ATOM 644 C PHE A 46 23.731 -4.220 4.524 1.00 3.20 C ATOM 645 O PHE A 46 24.475 -4.670 5.395 1.00 71.20 O ATOM 646 CB PHE A 46 25.088 -4.009 2.433 1.00 63.14 C ATOM 647 CG PHE A 46 26.367 -4.269 3.177 1.00 71.25 C ATOM 648 CD1 PHE A 46 27.082 -5.437 2.965 1.00 34.32 C ATOM 649 CD2 PHE A 46 26.854 -3.346 4.088 1.00 52.13 C ATOM 650 CE1 PHE A 46 28.259 -5.680 3.648 1.00 53.41 C ATOM 651 CE2 PHE A 46 28.031 -3.583 4.773 1.00 55.51 C ATOM 652 CZ PHE A 46 28.733 -4.751 4.554 1.00 62.33 C ATOM 0 H PHE A 46 22.798 -3.646 1.585 1.00 43.42 H new ATOM 0 HA PHE A 46 23.995 -5.751 3.055 1.00 53.12 H new ATOM 0 HB2 PHE A 46 25.192 -4.370 1.410 1.00 63.14 H new ATOM 0 HB3 PHE A 46 24.922 -2.933 2.376 1.00 63.14 H new ATOM 0 HD1 PHE A 46 26.715 -6.166 2.258 1.00 34.32 H new ATOM 0 HD2 PHE A 46 26.308 -2.431 4.265 1.00 52.13 H new ATOM 0 HE1 PHE A 46 28.807 -6.594 3.474 1.00 53.41 H new ATOM 0 HE2 PHE A 46 28.401 -2.855 5.479 1.00 55.51 H new ATOM 0 HZ PHE A 46 29.652 -4.938 5.090 1.00 62.33 H new ATOM 662 N ALA A 47 22.778 -3.329 4.776 1.00 2.42 N ATOM 663 CA ALA A 47 22.546 -2.819 6.122 1.00 74.11 C ATOM 664 C ALA A 47 22.085 -3.931 7.058 1.00 74.21 C ATOM 665 O ALA A 47 22.474 -3.975 8.224 1.00 1.24 O ATOM 666 CB ALA A 47 21.521 -1.694 6.091 1.00 63.43 C ATOM 0 H ALA A 47 22.154 -2.945 4.066 1.00 2.42 H new ATOM 0 HA ALA A 47 23.489 -2.426 6.503 1.00 74.11 H new ATOM 0 HB1 ALA A 47 21.358 -1.323 7.103 1.00 63.43 H new ATOM 0 HB2 ALA A 47 21.889 -0.883 5.462 1.00 63.43 H new ATOM 0 HB3 ALA A 47 20.581 -2.069 5.686 1.00 63.43 H new ATOM 672 N ALA A 48 21.252 -4.828 6.539 1.00 64.10 N ATOM 673 CA ALA A 48 20.740 -5.941 7.328 1.00 14.03 C ATOM 674 C ALA A 48 21.580 -7.196 7.118 1.00 32.13 C ATOM 675 O ALA A 48 21.593 -8.094 7.959 1.00 33.10 O ATOM 676 CB ALA A 48 19.285 -6.212 6.975 1.00 33.23 C ATOM 0 H ALA A 48 20.918 -4.805 5.576 1.00 64.10 H new ATOM 0 HA ALA A 48 20.802 -5.667 8.381 1.00 14.03 H new ATOM 0 HB1 ALA A 48 18.915 -7.046 7.572 1.00 33.23 H new ATOM 0 HB2 ALA A 48 18.689 -5.324 7.183 1.00 33.23 H new ATOM 0 HB3 ALA A 48 19.208 -6.461 5.917 1.00 33.23 H new ATOM 682 N GLY A 49 22.281 -7.252 5.990 1.00 55.24 N ATOM 683 CA GLY A 49 23.113 -8.402 5.689 1.00 1.14 C ATOM 684 C GLY A 49 22.435 -9.379 4.749 1.00 1.15 C ATOM 685 O GLY A 49 22.866 -10.525 4.617 1.00 32.41 O ATOM 0 H GLY A 49 22.288 -6.521 5.279 1.00 55.24 H new ATOM 0 HA2 GLY A 49 24.048 -8.063 5.243 1.00 1.14 H new ATOM 0 HA3 GLY A 49 23.369 -8.914 6.617 1.00 1.14 H new ATOM 689 N LEU A 50 21.371 -8.927 4.096 1.00 54.21 N ATOM 690 CA LEU A 50 20.630 -9.770 3.164 1.00 52.10 C ATOM 691 C LEU A 50 21.464 -10.074 1.923 1.00 13.44 C ATOM 692 O LEU A 50 21.735 -9.187 1.113 1.00 35.12 O ATOM 693 CB LEU A 50 19.321 -9.089 2.759 1.00 44.22 C ATOM 694 CG LEU A 50 18.522 -8.443 3.891 1.00 3.22 C ATOM 695 CD1 LEU A 50 18.311 -6.962 3.618 1.00 53.22 C ATOM 696 CD2 LEU A 50 17.187 -9.150 4.072 1.00 10.32 C ATOM 0 H LEU A 50 21.002 -7.981 4.194 1.00 54.21 H new ATOM 0 HA LEU A 50 20.403 -10.711 3.666 1.00 52.10 H new ATOM 0 HB2 LEU A 50 19.548 -8.322 2.018 1.00 44.22 H new ATOM 0 HB3 LEU A 50 18.687 -9.828 2.269 1.00 44.22 H new ATOM 0 HG LEU A 50 19.091 -8.543 4.815 1.00 3.22 H new ATOM 0 HD11 LEU A 50 17.740 -6.519 4.434 1.00 53.22 H new ATOM 0 HD12 LEU A 50 19.278 -6.465 3.540 1.00 53.22 H new ATOM 0 HD13 LEU A 50 17.763 -6.839 2.684 1.00 53.22 H new ATOM 0 HD21 LEU A 50 16.632 -8.677 4.882 1.00 10.32 H new ATOM 0 HD22 LEU A 50 16.611 -9.082 3.149 1.00 10.32 H new ATOM 0 HD23 LEU A 50 17.360 -10.198 4.315 1.00 10.32 H new ATOM 708 N ARG A 51 21.866 -11.332 1.781 1.00 60.13 N ATOM 709 CA ARG A 51 22.668 -11.753 0.638 1.00 1.03 C ATOM 710 C ARG A 51 22.273 -13.155 0.183 1.00 11.24 C ATOM 711 O ARG A 51 21.405 -13.791 0.781 1.00 72.20 O ATOM 712 CB ARG A 51 24.156 -11.721 0.993 1.00 12.21 C ATOM 713 CG ARG A 51 24.859 -10.447 0.553 1.00 24.35 C ATOM 714 CD ARG A 51 25.555 -10.629 -0.786 1.00 62.34 C ATOM 715 NE ARG A 51 26.003 -9.358 -1.348 1.00 1.43 N ATOM 716 CZ ARG A 51 27.067 -8.695 -0.909 1.00 1.54 C ATOM 717 NH1 ARG A 51 27.789 -9.180 0.092 1.00 73.41 N ATOM 718 NH2 ARG A 51 27.411 -7.543 -1.471 1.00 24.10 N ATOM 0 H ARG A 51 21.650 -12.078 2.443 1.00 60.13 H new ATOM 0 HA ARG A 51 22.481 -11.058 -0.181 1.00 1.03 H new ATOM 0 HB2 ARG A 51 24.266 -11.833 2.072 1.00 12.21 H new ATOM 0 HB3 ARG A 51 24.650 -12.576 0.532 1.00 12.21 H new ATOM 0 HG2 ARG A 51 24.134 -9.637 0.480 1.00 24.35 H new ATOM 0 HG3 ARG A 51 25.589 -10.154 1.307 1.00 24.35 H new ATOM 0 HD2 ARG A 51 26.411 -11.292 -0.662 1.00 62.34 H new ATOM 0 HD3 ARG A 51 24.874 -11.114 -1.485 1.00 62.34 H new ATOM 0 HE ARG A 51 25.470 -8.957 -2.120 1.00 1.43 H new ATOM 0 HH11 ARG A 51 27.528 -10.065 0.527 1.00 73.41 H new ATOM 0 HH12 ARG A 51 28.605 -8.668 0.427 1.00 73.41 H new ATOM 0 HH21 ARG A 51 26.858 -7.166 -2.241 1.00 24.10 H new ATOM 0 HH22 ARG A 51 28.228 -7.035 -1.133 1.00 24.10 H new ATOM 732 N VAL A 52 22.916 -13.630 -0.879 1.00 34.03 N ATOM 733 CA VAL A 52 22.632 -14.956 -1.414 1.00 20.32 C ATOM 734 C VAL A 52 23.125 -16.047 -0.469 1.00 52.22 C ATOM 735 O VAL A 52 24.250 -15.993 0.024 1.00 24.23 O ATOM 736 CB VAL A 52 23.284 -15.156 -2.795 1.00 0.51 C ATOM 737 CG1 VAL A 52 22.827 -14.075 -3.762 1.00 54.44 C ATOM 738 CG2 VAL A 52 24.800 -15.165 -2.671 1.00 62.34 C ATOM 0 H VAL A 52 23.637 -13.116 -1.386 1.00 34.03 H new ATOM 0 HA VAL A 52 21.549 -15.030 -1.517 1.00 20.32 H new ATOM 0 HB VAL A 52 22.969 -16.121 -3.191 1.00 0.51 H new ATOM 0 HG11 VAL A 52 23.298 -14.232 -4.732 1.00 54.44 H new ATOM 0 HG12 VAL A 52 21.744 -14.120 -3.873 1.00 54.44 H new ATOM 0 HG13 VAL A 52 23.112 -13.097 -3.375 1.00 54.44 H new ATOM 0 HG21 VAL A 52 25.245 -15.307 -3.656 1.00 62.34 H new ATOM 0 HG22 VAL A 52 25.137 -14.216 -2.255 1.00 62.34 H new ATOM 0 HG23 VAL A 52 25.106 -15.979 -2.014 1.00 62.34 H new ATOM 748 N GLY A 53 22.273 -17.038 -0.222 1.00 0.51 N ATOM 749 CA GLY A 53 22.640 -18.128 0.663 1.00 51.22 C ATOM 750 C GLY A 53 21.691 -18.266 1.837 1.00 5.21 C ATOM 751 O GLY A 53 21.653 -19.307 2.493 1.00 15.33 O ATOM 0 H GLY A 53 21.336 -17.105 -0.619 1.00 0.51 H new ATOM 0 HA2 GLY A 53 22.654 -19.061 0.099 1.00 51.22 H new ATOM 0 HA3 GLY A 53 23.652 -17.965 1.035 1.00 51.22 H new ATOM 755 N ASP A 54 20.926 -17.213 2.104 1.00 21.30 N ATOM 756 CA ASP A 54 19.973 -17.221 3.208 1.00 24.11 C ATOM 757 C ASP A 54 18.578 -17.594 2.719 1.00 75.23 C ATOM 758 O ASP A 54 18.024 -16.939 1.837 1.00 55.51 O ATOM 759 CB ASP A 54 19.939 -15.853 3.890 1.00 4.51 C ATOM 760 CG ASP A 54 21.289 -15.453 4.453 1.00 10.33 C ATOM 761 OD1 ASP A 54 22.229 -16.272 4.380 1.00 43.43 O ATOM 762 OD2 ASP A 54 21.405 -14.321 4.967 1.00 42.41 O ATOM 0 H ASP A 54 20.947 -16.343 1.571 1.00 21.30 H new ATOM 0 HA ASP A 54 20.297 -17.970 3.930 1.00 24.11 H new ATOM 0 HB2 ASP A 54 19.610 -15.101 3.173 1.00 4.51 H new ATOM 0 HB3 ASP A 54 19.204 -15.869 4.694 1.00 4.51 H new ATOM 767 N GLN A 55 18.016 -18.651 3.297 1.00 63.44 N ATOM 768 CA GLN A 55 16.686 -19.112 2.917 1.00 31.24 C ATOM 769 C GLN A 55 15.616 -18.130 3.383 1.00 43.44 C ATOM 770 O GLN A 55 15.359 -17.996 4.580 1.00 62.31 O ATOM 771 CB GLN A 55 16.415 -20.497 3.508 1.00 0.24 C ATOM 772 CG GLN A 55 17.292 -21.591 2.921 1.00 33.11 C ATOM 773 CD GLN A 55 17.319 -22.840 3.779 1.00 22.44 C ATOM 774 OE1 GLN A 55 16.552 -23.849 3.382 1.00 44.24 O flip ATOM 775 NE2 GLN A 55 18.022 -22.899 4.789 1.00 12.24 N flip ATOM 0 H GLN A 55 18.461 -19.204 4.030 1.00 63.44 H new ATOM 0 HA GLN A 55 16.648 -19.175 1.829 1.00 31.24 H new ATOM 0 HB2 GLN A 55 16.569 -20.459 4.586 1.00 0.24 H new ATOM 0 HB3 GLN A 55 15.369 -20.754 3.344 1.00 0.24 H new ATOM 0 HG2 GLN A 55 16.930 -21.847 1.925 1.00 33.11 H new ATOM 0 HG3 GLN A 55 18.308 -21.213 2.804 1.00 33.11 H new ATOM 0 HE21 GLN A 55 18.596 -22.100 5.058 1.00 12.24 H new ATOM 0 HE22 GLN A 55 18.030 -23.747 5.356 1.00 12.24 H new ATOM 784 N LEU A 56 14.996 -17.443 2.429 1.00 20.14 N ATOM 785 CA LEU A 56 13.954 -16.471 2.741 1.00 35.53 C ATOM 786 C LEU A 56 12.646 -17.171 3.097 1.00 74.35 C ATOM 787 O LEU A 56 12.002 -17.779 2.241 1.00 52.43 O ATOM 788 CB LEU A 56 13.736 -15.530 1.556 1.00 54.51 C ATOM 789 CG LEU A 56 14.715 -14.361 1.438 1.00 20.21 C ATOM 790 CD1 LEU A 56 14.677 -13.504 2.694 1.00 62.31 C ATOM 791 CD2 LEU A 56 16.125 -14.871 1.181 1.00 64.53 C ATOM 0 H LEU A 56 15.197 -17.541 1.434 1.00 20.14 H new ATOM 0 HA LEU A 56 14.280 -15.889 3.603 1.00 35.53 H new ATOM 0 HB2 LEU A 56 13.788 -16.116 0.638 1.00 54.51 H new ATOM 0 HB3 LEU A 56 12.725 -15.127 1.619 1.00 54.51 H new ATOM 0 HG LEU A 56 14.413 -13.743 0.592 1.00 20.21 H new ATOM 0 HD11 LEU A 56 15.380 -12.677 2.592 1.00 62.31 H new ATOM 0 HD12 LEU A 56 13.671 -13.109 2.835 1.00 62.31 H new ATOM 0 HD13 LEU A 56 14.953 -14.110 3.557 1.00 62.31 H new ATOM 0 HD21 LEU A 56 16.808 -14.026 1.100 1.00 64.53 H new ATOM 0 HD22 LEU A 56 16.436 -15.511 2.006 1.00 64.53 H new ATOM 0 HD23 LEU A 56 16.142 -15.442 0.253 1.00 64.53 H new ATOM 803 N VAL A 57 12.257 -17.080 4.364 1.00 31.25 N ATOM 804 CA VAL A 57 11.024 -17.702 4.833 1.00 51.43 C ATOM 805 C VAL A 57 9.980 -16.650 5.190 1.00 12.21 C ATOM 806 O VAL A 57 8.883 -16.635 4.632 1.00 54.21 O ATOM 807 CB VAL A 57 11.277 -18.596 6.061 1.00 42.21 C ATOM 808 CG1 VAL A 57 9.974 -19.201 6.559 1.00 73.44 C ATOM 809 CG2 VAL A 57 12.287 -19.683 5.728 1.00 23.43 C ATOM 0 H VAL A 57 12.778 -16.581 5.085 1.00 31.25 H new ATOM 0 HA VAL A 57 10.650 -18.319 4.016 1.00 51.43 H new ATOM 0 HB VAL A 57 11.691 -17.980 6.859 1.00 42.21 H new ATOM 0 HG11 VAL A 57 10.173 -19.829 7.427 1.00 73.44 H new ATOM 0 HG12 VAL A 57 9.286 -18.403 6.839 1.00 73.44 H new ATOM 0 HG13 VAL A 57 9.528 -19.805 5.769 1.00 73.44 H new ATOM 0 HG21 VAL A 57 12.454 -20.306 6.607 1.00 23.43 H new ATOM 0 HG22 VAL A 57 11.904 -20.299 4.914 1.00 23.43 H new ATOM 0 HG23 VAL A 57 13.228 -19.225 5.424 1.00 23.43 H new ATOM 819 N ARG A 58 10.329 -15.771 6.124 1.00 51.12 N ATOM 820 CA ARG A 58 9.421 -14.715 6.557 1.00 64.13 C ATOM 821 C ARG A 58 8.063 -15.291 6.945 1.00 30.24 C ATOM 822 O ARG A 58 7.036 -14.624 6.823 1.00 12.55 O ATOM 823 CB ARG A 58 9.248 -13.676 5.448 1.00 41.24 C ATOM 824 CG ARG A 58 8.716 -12.341 5.942 1.00 41.51 C ATOM 825 CD ARG A 58 8.644 -11.319 4.818 1.00 72.03 C ATOM 826 NE ARG A 58 9.405 -10.111 5.126 1.00 61.43 N ATOM 827 CZ ARG A 58 9.849 -9.267 4.202 1.00 52.35 C ATOM 828 NH1 ARG A 58 9.608 -9.497 2.918 1.00 11.52 N ATOM 829 NH2 ARG A 58 10.535 -8.189 4.561 1.00 54.15 N ATOM 0 H ARG A 58 11.234 -15.769 6.595 1.00 51.12 H new ATOM 0 HA ARG A 58 9.856 -14.233 7.433 1.00 64.13 H new ATOM 0 HB2 ARG A 58 10.209 -13.516 4.959 1.00 41.24 H new ATOM 0 HB3 ARG A 58 8.568 -14.072 4.694 1.00 41.24 H new ATOM 0 HG2 ARG A 58 7.724 -12.480 6.373 1.00 41.51 H new ATOM 0 HG3 ARG A 58 9.359 -11.964 6.737 1.00 41.51 H new ATOM 0 HD2 ARG A 58 9.026 -11.764 3.899 1.00 72.03 H new ATOM 0 HD3 ARG A 58 7.603 -11.054 4.635 1.00 72.03 H new ATOM 0 HE ARG A 58 9.606 -9.904 6.104 1.00 61.43 H new ATOM 0 HH11 ARG A 58 9.080 -10.324 2.638 1.00 11.52 H new ATOM 0 HH12 ARG A 58 9.950 -8.847 2.210 1.00 11.52 H new ATOM 0 HH21 ARG A 58 10.722 -8.008 5.547 1.00 54.15 H new ATOM 0 HH22 ARG A 58 10.876 -7.541 3.851 1.00 54.15 H new ATOM 843 N PHE A 59 8.066 -16.535 7.413 1.00 34.12 N ATOM 844 CA PHE A 59 6.834 -17.202 7.818 1.00 33.04 C ATOM 845 C PHE A 59 7.068 -18.079 9.045 1.00 62.23 C ATOM 846 O PHE A 59 8.130 -18.683 9.196 1.00 40.44 O ATOM 847 CB PHE A 59 6.286 -18.050 6.668 1.00 14.54 C ATOM 848 CG PHE A 59 5.728 -17.235 5.537 1.00 74.05 C ATOM 849 CD1 PHE A 59 6.109 -17.489 4.229 1.00 73.11 C ATOM 850 CD2 PHE A 59 4.822 -16.215 5.780 1.00 2.23 C ATOM 851 CE1 PHE A 59 5.597 -16.742 3.185 1.00 51.31 C ATOM 852 CE2 PHE A 59 4.307 -15.464 4.740 1.00 33.54 C ATOM 853 CZ PHE A 59 4.695 -15.727 3.441 1.00 24.43 C ATOM 0 H PHE A 59 8.907 -17.101 7.521 1.00 34.12 H new ATOM 0 HA PHE A 59 6.103 -16.435 8.075 1.00 33.04 H new ATOM 0 HB2 PHE A 59 7.082 -18.689 6.287 1.00 14.54 H new ATOM 0 HB3 PHE A 59 5.506 -18.707 7.051 1.00 14.54 H new ATOM 0 HD1 PHE A 59 6.815 -18.280 4.023 1.00 73.11 H new ATOM 0 HD2 PHE A 59 4.515 -16.004 6.794 1.00 2.23 H new ATOM 0 HE1 PHE A 59 5.902 -16.951 2.170 1.00 51.31 H new ATOM 0 HE2 PHE A 59 3.602 -14.672 4.943 1.00 33.54 H new ATOM 0 HZ PHE A 59 4.294 -15.141 2.627 1.00 24.43 H new ATOM 863 N ALA A 60 6.069 -18.144 9.918 1.00 12.24 N ATOM 864 CA ALA A 60 6.165 -18.948 11.131 1.00 54.54 C ATOM 865 C ALA A 60 6.087 -20.436 10.810 1.00 62.32 C ATOM 866 O ALA A 60 5.024 -20.954 10.470 1.00 41.53 O ATOM 867 CB ALA A 60 5.067 -18.559 12.110 1.00 53.23 C ATOM 0 H ALA A 60 5.183 -17.650 9.809 1.00 12.24 H new ATOM 0 HA ALA A 60 7.133 -18.752 11.592 1.00 54.54 H new ATOM 0 HB1 ALA A 60 5.151 -19.167 13.011 1.00 53.23 H new ATOM 0 HB2 ALA A 60 5.170 -17.506 12.372 1.00 53.23 H new ATOM 0 HB3 ALA A 60 4.093 -18.725 11.649 1.00 53.23 H new ATOM 873 N GLY A 61 7.222 -21.121 10.920 1.00 50.42 N ATOM 874 CA GLY A 61 7.261 -22.544 10.637 1.00 15.50 C ATOM 875 C GLY A 61 8.486 -22.943 9.839 1.00 31.13 C ATOM 876 O GLY A 61 8.715 -24.127 9.592 1.00 60.24 O ATOM 0 H GLY A 61 8.115 -20.715 11.200 1.00 50.42 H new ATOM 0 HA2 GLY A 61 7.246 -23.098 11.575 1.00 15.50 H new ATOM 0 HA3 GLY A 61 6.364 -22.826 10.086 1.00 15.50 H new ATOM 880 N TYR A 62 9.275 -21.954 9.434 1.00 14.15 N ATOM 881 CA TYR A 62 10.481 -22.208 8.656 1.00 21.01 C ATOM 882 C TYR A 62 10.143 -22.890 7.334 1.00 71.10 C ATOM 883 O TYR A 62 10.866 -23.775 6.874 1.00 1.52 O ATOM 884 CB TYR A 62 11.456 -23.075 9.455 1.00 14.23 C ATOM 885 CG TYR A 62 11.490 -22.744 10.930 1.00 24.33 C ATOM 886 CD1 TYR A 62 11.439 -23.749 11.889 1.00 71.24 C ATOM 887 CD2 TYR A 62 11.574 -21.428 11.366 1.00 53.32 C ATOM 888 CE1 TYR A 62 11.470 -23.452 13.237 1.00 34.25 C ATOM 889 CE2 TYR A 62 11.606 -21.121 12.712 1.00 25.44 C ATOM 890 CZ TYR A 62 11.554 -22.137 13.644 1.00 10.03 C ATOM 891 OH TYR A 62 11.585 -21.836 14.987 1.00 50.13 O ATOM 0 H TYR A 62 9.101 -20.969 9.632 1.00 14.15 H new ATOM 0 HA TYR A 62 10.951 -21.249 8.440 1.00 21.01 H new ATOM 0 HB2 TYR A 62 11.182 -24.123 9.332 1.00 14.23 H new ATOM 0 HB3 TYR A 62 12.457 -22.957 9.041 1.00 14.23 H new ATOM 0 HD1 TYR A 62 11.374 -24.780 11.574 1.00 71.24 H new ATOM 0 HD2 TYR A 62 11.615 -20.630 10.639 1.00 53.32 H new ATOM 0 HE1 TYR A 62 11.429 -24.245 13.969 1.00 34.25 H new ATOM 0 HE2 TYR A 62 11.671 -20.092 13.033 1.00 25.44 H new ATOM 0 HH TYR A 62 11.646 -20.865 15.103 1.00 50.13 H new ATOM 901 N THR A 63 9.037 -22.472 6.726 1.00 43.35 N ATOM 902 CA THR A 63 8.601 -23.041 5.457 1.00 41.22 C ATOM 903 C THR A 63 8.476 -21.964 4.385 1.00 12.12 C ATOM 904 O THR A 63 8.310 -20.784 4.693 1.00 10.43 O ATOM 905 CB THR A 63 7.249 -23.765 5.601 1.00 23.11 C ATOM 906 OG1 THR A 63 6.726 -24.088 4.308 1.00 52.31 O ATOM 907 CG2 THR A 63 6.251 -22.902 6.357 1.00 13.40 C ATOM 0 H THR A 63 8.427 -21.741 7.092 1.00 43.35 H new ATOM 0 HA THR A 63 9.361 -23.762 5.157 1.00 41.22 H new ATOM 0 HB THR A 63 7.412 -24.683 6.166 1.00 23.11 H new ATOM 0 HG1 THR A 63 7.405 -24.571 3.792 1.00 52.31 H new ATOM 0 HG21 THR A 63 5.304 -23.434 6.446 1.00 13.40 H new ATOM 0 HG22 THR A 63 6.639 -22.683 7.352 1.00 13.40 H new ATOM 0 HG23 THR A 63 6.093 -21.969 5.816 1.00 13.40 H new ATOM 915 N VAL A 64 8.555 -22.378 3.125 1.00 45.15 N ATOM 916 CA VAL A 64 8.449 -21.448 2.006 1.00 21.24 C ATOM 917 C VAL A 64 7.680 -22.070 0.846 1.00 14.33 C ATOM 918 O VAL A 64 7.630 -23.292 0.703 1.00 53.22 O ATOM 919 CB VAL A 64 9.838 -21.007 1.509 1.00 65.31 C ATOM 920 CG1 VAL A 64 9.716 -19.822 0.563 1.00 31.32 C ATOM 921 CG2 VAL A 64 10.743 -20.670 2.685 1.00 73.22 C ATOM 0 H VAL A 64 8.692 -23.351 2.853 1.00 45.15 H new ATOM 0 HA VAL A 64 7.908 -20.575 2.370 1.00 21.24 H new ATOM 0 HB VAL A 64 10.287 -21.835 0.960 1.00 65.31 H new ATOM 0 HG11 VAL A 64 10.708 -19.525 0.222 1.00 31.32 H new ATOM 0 HG12 VAL A 64 9.107 -20.103 -0.296 1.00 31.32 H new ATOM 0 HG13 VAL A 64 9.246 -18.988 1.084 1.00 31.32 H new ATOM 0 HG21 VAL A 64 11.720 -20.360 2.315 1.00 73.22 H new ATOM 0 HG22 VAL A 64 10.301 -19.859 3.264 1.00 73.22 H new ATOM 0 HG23 VAL A 64 10.857 -21.549 3.320 1.00 73.22 H new ATOM 931 N THR A 65 7.080 -21.220 0.018 1.00 12.13 N ATOM 932 CA THR A 65 6.312 -21.685 -1.130 1.00 13.23 C ATOM 933 C THR A 65 7.107 -21.533 -2.421 1.00 52.33 C ATOM 934 O THR A 65 7.510 -22.522 -3.032 1.00 43.20 O ATOM 935 CB THR A 65 4.983 -20.917 -1.265 1.00 30.42 C ATOM 936 OG1 THR A 65 4.886 -19.921 -0.240 1.00 62.44 O ATOM 937 CG2 THR A 65 3.798 -21.866 -1.170 1.00 72.41 C ATOM 0 H THR A 65 7.111 -20.206 0.121 1.00 12.13 H new ATOM 0 HA THR A 65 6.098 -22.740 -0.961 1.00 13.23 H new ATOM 0 HB THR A 65 4.965 -20.435 -2.242 1.00 30.42 H new ATOM 0 HG1 THR A 65 3.995 -19.513 -0.264 1.00 62.44 H new ATOM 0 HG21 THR A 65 2.871 -21.301 -1.268 1.00 72.41 H new ATOM 0 HG22 THR A 65 3.859 -22.605 -1.969 1.00 72.41 H new ATOM 0 HG23 THR A 65 3.814 -22.373 -0.205 1.00 72.41 H new ATOM 945 N GLU A 66 7.329 -20.288 -2.831 1.00 51.31 N ATOM 946 CA GLU A 66 8.076 -20.008 -4.051 1.00 45.34 C ATOM 947 C GLU A 66 8.372 -18.516 -4.178 1.00 52.13 C ATOM 948 O GLU A 66 8.024 -17.726 -3.300 1.00 3.43 O ATOM 949 CB GLU A 66 7.296 -20.490 -5.276 1.00 23.30 C ATOM 950 CG GLU A 66 5.972 -19.773 -5.475 1.00 72.13 C ATOM 951 CD GLU A 66 4.804 -20.731 -5.608 1.00 12.01 C ATOM 952 OE1 GLU A 66 4.105 -20.957 -4.598 1.00 1.13 O ATOM 953 OE2 GLU A 66 4.589 -21.255 -6.721 1.00 15.42 O ATOM 0 H GLU A 66 7.002 -19.458 -2.336 1.00 51.31 H new ATOM 0 HA GLU A 66 9.023 -20.546 -3.997 1.00 45.34 H new ATOM 0 HB2 GLU A 66 7.911 -20.352 -6.165 1.00 23.30 H new ATOM 0 HB3 GLU A 66 7.109 -21.560 -5.180 1.00 23.30 H new ATOM 0 HG2 GLU A 66 5.795 -19.105 -4.632 1.00 72.13 H new ATOM 0 HG3 GLU A 66 6.031 -19.151 -6.368 1.00 72.13 H new ATOM 960 N LEU A 67 9.016 -18.138 -5.277 1.00 13.10 N ATOM 961 CA LEU A 67 9.359 -16.741 -5.520 1.00 62.12 C ATOM 962 C LEU A 67 8.126 -15.850 -5.411 1.00 31.10 C ATOM 963 O LEU A 67 8.224 -14.681 -5.040 1.00 53.22 O ATOM 964 CB LEU A 67 9.994 -16.585 -6.903 1.00 4.11 C ATOM 965 CG LEU A 67 9.159 -17.077 -8.085 1.00 33.40 C ATOM 966 CD1 LEU A 67 8.183 -16.001 -8.534 1.00 34.01 C ATOM 967 CD2 LEU A 67 10.060 -17.497 -9.237 1.00 51.22 C ATOM 0 H LEU A 67 9.311 -18.779 -6.014 1.00 13.10 H new ATOM 0 HA LEU A 67 10.076 -16.431 -4.760 1.00 62.12 H new ATOM 0 HB2 LEU A 67 10.222 -15.531 -7.059 1.00 4.11 H new ATOM 0 HB3 LEU A 67 10.943 -17.120 -6.907 1.00 4.11 H new ATOM 0 HG LEU A 67 8.586 -17.947 -7.763 1.00 33.40 H new ATOM 0 HD11 LEU A 67 7.597 -16.369 -9.376 1.00 34.01 H new ATOM 0 HD12 LEU A 67 7.515 -15.749 -7.710 1.00 34.01 H new ATOM 0 HD13 LEU A 67 8.736 -15.112 -8.838 1.00 34.01 H new ATOM 0 HD21 LEU A 67 9.448 -17.844 -10.069 1.00 51.22 H new ATOM 0 HD22 LEU A 67 10.660 -16.646 -9.558 1.00 51.22 H new ATOM 0 HD23 LEU A 67 10.718 -18.302 -8.910 1.00 51.22 H new ATOM 979 N ALA A 68 6.966 -16.412 -5.734 1.00 72.14 N ATOM 980 CA ALA A 68 5.713 -15.670 -5.668 1.00 71.15 C ATOM 981 C ALA A 68 5.367 -15.303 -4.229 1.00 61.43 C ATOM 982 O ALA A 68 4.822 -14.232 -3.966 1.00 20.03 O ATOM 983 CB ALA A 68 4.587 -16.479 -6.294 1.00 73.42 C ATOM 0 H ALA A 68 6.868 -17.379 -6.044 1.00 72.14 H new ATOM 0 HA ALA A 68 5.837 -14.745 -6.231 1.00 71.15 H new ATOM 0 HB1 ALA A 68 3.657 -15.913 -6.238 1.00 73.42 H new ATOM 0 HB2 ALA A 68 4.824 -16.685 -7.338 1.00 73.42 H new ATOM 0 HB3 ALA A 68 4.472 -17.420 -5.756 1.00 73.42 H new ATOM 989 N ALA A 69 5.687 -16.200 -3.302 1.00 31.01 N ATOM 990 CA ALA A 69 5.411 -15.970 -1.889 1.00 40.33 C ATOM 991 C ALA A 69 6.286 -14.851 -1.334 1.00 53.55 C ATOM 992 O ALA A 69 5.861 -14.091 -0.464 1.00 1.14 O ATOM 993 CB ALA A 69 5.622 -17.250 -1.095 1.00 33.02 C ATOM 0 H ALA A 69 6.138 -17.093 -3.504 1.00 31.01 H new ATOM 0 HA ALA A 69 4.369 -15.663 -1.793 1.00 40.33 H new ATOM 0 HB1 ALA A 69 5.412 -17.064 -0.042 1.00 33.02 H new ATOM 0 HB2 ALA A 69 4.951 -18.024 -1.467 1.00 33.02 H new ATOM 0 HB3 ALA A 69 6.654 -17.581 -1.206 1.00 33.02 H new ATOM 999 N PHE A 70 7.509 -14.755 -1.844 1.00 5.34 N ATOM 1000 CA PHE A 70 8.445 -13.729 -1.397 1.00 50.13 C ATOM 1001 C PHE A 70 8.180 -12.405 -2.108 1.00 40.02 C ATOM 1002 O PHE A 70 8.447 -11.333 -1.566 1.00 73.32 O ATOM 1003 CB PHE A 70 9.886 -14.177 -1.651 1.00 33.51 C ATOM 1004 CG PHE A 70 10.914 -13.241 -1.083 1.00 33.54 C ATOM 1005 CD1 PHE A 70 11.246 -13.290 0.262 1.00 51.43 C ATOM 1006 CD2 PHE A 70 11.548 -12.313 -1.893 1.00 35.04 C ATOM 1007 CE1 PHE A 70 12.192 -12.430 0.788 1.00 52.12 C ATOM 1008 CE2 PHE A 70 12.494 -11.451 -1.372 1.00 64.23 C ATOM 1009 CZ PHE A 70 12.816 -11.509 -0.030 1.00 41.22 C ATOM 0 H PHE A 70 7.875 -15.375 -2.567 1.00 5.34 H new ATOM 0 HA PHE A 70 8.301 -13.583 -0.327 1.00 50.13 H new ATOM 0 HB2 PHE A 70 10.031 -15.168 -1.220 1.00 33.51 H new ATOM 0 HB3 PHE A 70 10.045 -14.270 -2.725 1.00 33.51 H new ATOM 0 HD1 PHE A 70 10.760 -14.008 0.906 1.00 51.43 H new ATOM 0 HD2 PHE A 70 11.300 -12.263 -2.943 1.00 35.04 H new ATOM 0 HE1 PHE A 70 12.443 -12.478 1.837 1.00 52.12 H new ATOM 0 HE2 PHE A 70 12.981 -10.732 -2.014 1.00 64.23 H new ATOM 0 HZ PHE A 70 13.554 -10.835 0.379 1.00 41.22 H new ATOM 1019 N ASN A 71 7.654 -12.489 -3.326 1.00 12.12 N ATOM 1020 CA ASN A 71 7.354 -11.298 -4.112 1.00 75.03 C ATOM 1021 C ASN A 71 6.124 -10.580 -3.564 1.00 71.05 C ATOM 1022 O ASN A 71 6.085 -9.351 -3.501 1.00 3.33 O ATOM 1023 CB ASN A 71 7.128 -11.673 -5.578 1.00 72.33 C ATOM 1024 CG ASN A 71 7.450 -10.532 -6.524 1.00 23.15 C ATOM 1025 OD1 ASN A 71 8.583 -10.051 -6.570 1.00 73.34 O ATOM 1026 ND2 ASN A 71 6.453 -10.093 -7.282 1.00 40.33 N ATOM 0 H ASN A 71 7.427 -13.369 -3.790 1.00 12.12 H new ATOM 0 HA ASN A 71 8.207 -10.623 -4.043 1.00 75.03 H new ATOM 0 HB2 ASN A 71 7.746 -12.535 -5.829 1.00 72.33 H new ATOM 0 HB3 ASN A 71 6.090 -11.974 -5.717 1.00 72.33 H new ATOM 0 HD21 ASN A 71 6.609 -9.327 -7.937 1.00 40.33 H new ATOM 0 HD22 ASN A 71 5.530 -10.522 -7.210 1.00 40.33 H new ATOM 1033 N THR A 72 5.119 -11.356 -3.169 1.00 4.11 N ATOM 1034 CA THR A 72 3.888 -10.795 -2.627 1.00 22.31 C ATOM 1035 C THR A 72 4.141 -10.098 -1.295 1.00 61.01 C ATOM 1036 O THR A 72 3.599 -9.024 -1.032 1.00 61.42 O ATOM 1037 CB THR A 72 2.815 -11.883 -2.429 1.00 4.35 C ATOM 1038 OG1 THR A 72 1.639 -11.310 -1.846 1.00 24.13 O ATOM 1039 CG2 THR A 72 3.336 -13.001 -1.538 1.00 2.42 C ATOM 0 H THR A 72 5.134 -12.375 -3.215 1.00 4.11 H new ATOM 0 HA THR A 72 3.526 -10.066 -3.352 1.00 22.31 H new ATOM 0 HB THR A 72 2.569 -12.302 -3.405 1.00 4.35 H new ATOM 0 HG1 THR A 72 0.961 -12.007 -1.725 1.00 24.13 H new ATOM 0 HG21 THR A 72 2.561 -13.757 -1.413 1.00 2.42 H new ATOM 0 HG22 THR A 72 4.214 -13.454 -1.998 1.00 2.42 H new ATOM 0 HG23 THR A 72 3.607 -12.594 -0.564 1.00 2.42 H new ATOM 1047 N VAL A 73 4.968 -10.715 -0.457 1.00 44.22 N ATOM 1048 CA VAL A 73 5.295 -10.152 0.848 1.00 52.14 C ATOM 1049 C VAL A 73 6.170 -8.912 0.708 1.00 45.23 C ATOM 1050 O VAL A 73 5.991 -7.928 1.425 1.00 10.41 O ATOM 1051 CB VAL A 73 6.018 -11.180 1.737 1.00 24.23 C ATOM 1052 CG1 VAL A 73 5.092 -12.337 2.079 1.00 73.03 C ATOM 1053 CG2 VAL A 73 7.281 -11.682 1.053 1.00 52.34 C ATOM 0 H VAL A 73 5.424 -11.605 -0.658 1.00 44.22 H new ATOM 0 HA VAL A 73 4.352 -9.876 1.319 1.00 52.14 H new ATOM 0 HB VAL A 73 6.306 -10.690 2.667 1.00 24.23 H new ATOM 0 HG11 VAL A 73 5.621 -13.053 2.708 1.00 73.03 H new ATOM 0 HG12 VAL A 73 4.220 -11.960 2.613 1.00 73.03 H new ATOM 0 HG13 VAL A 73 4.770 -12.829 1.161 1.00 73.03 H new ATOM 0 HG21 VAL A 73 7.779 -12.408 1.696 1.00 52.34 H new ATOM 0 HG22 VAL A 73 7.019 -12.155 0.107 1.00 52.34 H new ATOM 0 HG23 VAL A 73 7.951 -10.843 0.866 1.00 52.34 H new ATOM 1063 N VAL A 74 7.119 -8.966 -0.222 1.00 2.22 N ATOM 1064 CA VAL A 74 8.023 -7.846 -0.458 1.00 32.12 C ATOM 1065 C VAL A 74 7.270 -6.638 -1.003 1.00 51.21 C ATOM 1066 O VAL A 74 7.530 -5.502 -0.608 1.00 52.31 O ATOM 1067 CB VAL A 74 9.143 -8.227 -1.444 1.00 30.11 C ATOM 1068 CG1 VAL A 74 9.837 -6.981 -1.971 1.00 4.40 C ATOM 1069 CG2 VAL A 74 10.141 -9.163 -0.780 1.00 24.13 C ATOM 0 H VAL A 74 7.282 -9.773 -0.824 1.00 2.22 H new ATOM 0 HA VAL A 74 8.468 -7.590 0.504 1.00 32.12 H new ATOM 0 HB VAL A 74 8.697 -8.750 -2.290 1.00 30.11 H new ATOM 0 HG11 VAL A 74 10.625 -7.270 -2.666 1.00 4.40 H new ATOM 0 HG12 VAL A 74 9.112 -6.351 -2.486 1.00 4.40 H new ATOM 0 HG13 VAL A 74 10.272 -6.427 -1.139 1.00 4.40 H new ATOM 0 HG21 VAL A 74 10.926 -9.422 -1.491 1.00 24.13 H new ATOM 0 HG22 VAL A 74 10.584 -8.669 0.085 1.00 24.13 H new ATOM 0 HG23 VAL A 74 9.630 -10.070 -0.457 1.00 24.13 H new ATOM 1079 N ALA A 75 6.335 -6.891 -1.913 1.00 61.30 N ATOM 1080 CA ALA A 75 5.542 -5.825 -2.511 1.00 40.41 C ATOM 1081 C ALA A 75 4.818 -5.013 -1.442 1.00 71.31 C ATOM 1082 O ALA A 75 4.791 -3.784 -1.495 1.00 3.45 O ATOM 1083 CB ALA A 75 4.544 -6.402 -3.504 1.00 43.03 C ATOM 0 H ALA A 75 6.108 -7.826 -2.252 1.00 61.30 H new ATOM 0 HA ALA A 75 6.220 -5.156 -3.041 1.00 40.41 H new ATOM 0 HB1 ALA A 75 3.959 -5.594 -3.943 1.00 43.03 H new ATOM 0 HB2 ALA A 75 5.080 -6.931 -4.292 1.00 43.03 H new ATOM 0 HB3 ALA A 75 3.878 -7.095 -2.990 1.00 43.03 H new ATOM 1089 N ARG A 76 4.231 -5.709 -0.474 1.00 23.43 N ATOM 1090 CA ARG A 76 3.505 -5.053 0.607 1.00 61.03 C ATOM 1091 C ARG A 76 4.468 -4.513 1.660 1.00 44.03 C ATOM 1092 O ARG A 76 4.154 -3.560 2.374 1.00 71.14 O ATOM 1093 CB ARG A 76 2.520 -6.028 1.254 1.00 72.23 C ATOM 1094 CG ARG A 76 1.171 -6.084 0.555 1.00 21.41 C ATOM 1095 CD ARG A 76 1.321 -6.422 -0.920 1.00 45.41 C ATOM 1096 NE ARG A 76 0.032 -6.673 -1.558 1.00 62.52 N ATOM 1097 CZ ARG A 76 -0.699 -7.759 -1.334 1.00 33.34 C ATOM 1098 NH1 ARG A 76 -0.271 -8.689 -0.491 1.00 2.33 N ATOM 1099 NH2 ARG A 76 -1.862 -7.917 -1.952 1.00 54.14 N ATOM 0 H ARG A 76 4.244 -6.727 -0.416 1.00 23.43 H new ATOM 0 HA ARG A 76 2.951 -4.216 0.183 1.00 61.03 H new ATOM 0 HB2 ARG A 76 2.959 -7.026 1.258 1.00 72.23 H new ATOM 0 HB3 ARG A 76 2.369 -5.742 2.295 1.00 72.23 H new ATOM 0 HG2 ARG A 76 0.541 -6.830 1.038 1.00 21.41 H new ATOM 0 HG3 ARG A 76 0.666 -5.124 0.660 1.00 21.41 H new ATOM 0 HD2 ARG A 76 1.824 -5.601 -1.431 1.00 45.41 H new ATOM 0 HD3 ARG A 76 1.956 -7.301 -1.028 1.00 45.41 H new ATOM 0 HE ARG A 76 -0.327 -5.977 -2.211 1.00 62.52 H new ATOM 0 HH11 ARG A 76 0.622 -8.571 -0.012 1.00 2.33 H new ATOM 0 HH12 ARG A 76 -0.835 -9.522 -0.321 1.00 2.33 H new ATOM 0 HH21 ARG A 76 -2.196 -7.204 -2.600 1.00 54.14 H new ATOM 0 HH22 ARG A 76 -2.422 -8.752 -1.779 1.00 54.14 H new ATOM 1113 N HIS A 77 5.643 -5.129 1.751 1.00 10.41 N ATOM 1114 CA HIS A 77 6.653 -4.710 2.717 1.00 54.31 C ATOM 1115 C HIS A 77 7.373 -3.453 2.239 1.00 1.40 C ATOM 1116 O HIS A 77 7.863 -2.661 3.045 1.00 63.42 O ATOM 1117 CB HIS A 77 7.663 -5.833 2.950 1.00 30.30 C ATOM 1118 CG HIS A 77 7.337 -6.697 4.130 1.00 42.42 C ATOM 1119 ND1 HIS A 77 7.019 -8.034 4.019 1.00 53.41 N ATOM 1120 CD2 HIS A 77 7.284 -6.407 5.451 1.00 55.11 C ATOM 1121 CE1 HIS A 77 6.781 -8.529 5.221 1.00 45.45 C ATOM 1122 NE2 HIS A 77 6.936 -7.562 6.107 1.00 11.13 N ATOM 0 H HIS A 77 5.919 -5.919 1.168 1.00 10.41 H new ATOM 0 HA HIS A 77 6.150 -4.484 3.657 1.00 54.31 H new ATOM 0 HB2 HIS A 77 7.714 -6.456 2.057 1.00 30.30 H new ATOM 0 HB3 HIS A 77 8.652 -5.397 3.091 1.00 30.30 H new ATOM 0 HD1 HIS A 77 6.974 -8.559 3.146 1.00 53.41 H new ATOM 0 HD2 HIS A 77 7.479 -5.446 5.904 1.00 55.11 H new ATOM 0 HE1 HIS A 77 6.507 -9.550 5.441 1.00 45.45 H new ATOM 1130 N VAL A 78 7.434 -3.275 0.923 1.00 22.40 N ATOM 1131 CA VAL A 78 8.094 -2.115 0.338 1.00 45.32 C ATOM 1132 C VAL A 78 7.541 -0.818 0.917 1.00 3.42 C ATOM 1133 O VAL A 78 6.431 -0.402 0.586 1.00 50.41 O ATOM 1134 CB VAL A 78 7.933 -2.090 -1.194 1.00 32.02 C ATOM 1135 CG1 VAL A 78 8.362 -0.743 -1.755 1.00 1.25 C ATOM 1136 CG2 VAL A 78 8.727 -3.220 -1.831 1.00 44.23 C ATOM 0 H VAL A 78 7.034 -3.920 0.242 1.00 22.40 H new ATOM 0 HA VAL A 78 9.153 -2.197 0.583 1.00 45.32 H new ATOM 0 HB VAL A 78 6.880 -2.237 -1.434 1.00 32.02 H new ATOM 0 HG11 VAL A 78 8.241 -0.745 -2.838 1.00 1.25 H new ATOM 0 HG12 VAL A 78 7.745 0.045 -1.322 1.00 1.25 H new ATOM 0 HG13 VAL A 78 9.408 -0.562 -1.507 1.00 1.25 H new ATOM 0 HG21 VAL A 78 8.602 -3.187 -2.913 1.00 44.23 H new ATOM 0 HG22 VAL A 78 9.783 -3.107 -1.584 1.00 44.23 H new ATOM 0 HG23 VAL A 78 8.366 -4.176 -1.453 1.00 44.23 H new ATOM 1146 N ARG A 79 8.323 -0.182 1.784 1.00 63.31 N ATOM 1147 CA ARG A 79 7.911 1.068 2.411 1.00 64.05 C ATOM 1148 C ARG A 79 9.125 1.900 2.813 1.00 5.11 C ATOM 1149 O ARG A 79 10.228 1.385 2.999 1.00 30.44 O ATOM 1150 CB ARG A 79 7.043 0.786 3.638 1.00 1.21 C ATOM 1151 CG ARG A 79 5.580 1.150 3.445 1.00 31.45 C ATOM 1152 CD ARG A 79 4.944 1.609 4.748 1.00 10.41 C ATOM 1153 NE ARG A 79 4.015 0.618 5.283 1.00 32.14 N ATOM 1154 CZ ARG A 79 3.220 0.842 6.324 1.00 22.00 C ATOM 1155 NH1 ARG A 79 3.241 2.017 6.938 1.00 45.03 N ATOM 1156 NH2 ARG A 79 2.402 -0.110 6.752 1.00 34.45 N ATOM 0 H ARG A 79 9.245 -0.512 2.068 1.00 63.31 H new ATOM 0 HA ARG A 79 7.328 1.635 1.685 1.00 64.05 H new ATOM 0 HB2 ARG A 79 7.115 -0.272 3.888 1.00 1.21 H new ATOM 0 HB3 ARG A 79 7.438 1.342 4.488 1.00 1.21 H new ATOM 0 HG2 ARG A 79 5.496 1.941 2.699 1.00 31.45 H new ATOM 0 HG3 ARG A 79 5.037 0.288 3.058 1.00 31.45 H new ATOM 0 HD2 ARG A 79 5.725 1.807 5.482 1.00 10.41 H new ATOM 0 HD3 ARG A 79 4.416 2.548 4.582 1.00 10.41 H new ATOM 0 HE ARG A 79 3.974 -0.296 4.833 1.00 32.14 H new ATOM 0 HH11 ARG A 79 3.869 2.752 6.612 1.00 45.03 H new ATOM 0 HH12 ARG A 79 2.630 2.186 7.737 1.00 45.03 H new ATOM 0 HH21 ARG A 79 2.383 -1.015 6.282 1.00 34.45 H new ATOM 0 HH22 ARG A 79 1.792 0.063 7.551 1.00 34.45 H new ATOM 1170 N PRO A 80 8.920 3.218 2.950 1.00 4.54 N ATOM 1171 CA PRO A 80 9.986 4.150 3.332 1.00 22.21 C ATOM 1172 C PRO A 80 10.424 3.968 4.781 1.00 34.45 C ATOM 1173 O PRO A 80 9.677 4.280 5.709 1.00 4.51 O ATOM 1174 CB PRO A 80 9.342 5.525 3.137 1.00 64.23 C ATOM 1175 CG PRO A 80 7.880 5.283 3.284 1.00 31.22 C ATOM 1176 CD PRO A 80 7.632 3.901 2.744 1.00 2.42 C ATOM 0 HA PRO A 80 10.890 3.999 2.741 1.00 22.21 H new ATOM 0 HB2 PRO A 80 9.701 6.239 3.878 1.00 64.23 H new ATOM 0 HB3 PRO A 80 9.578 5.937 2.156 1.00 64.23 H new ATOM 0 HG2 PRO A 80 7.576 5.354 4.328 1.00 31.22 H new ATOM 0 HG3 PRO A 80 7.304 6.026 2.733 1.00 31.22 H new ATOM 0 HD2 PRO A 80 6.823 3.401 3.276 1.00 2.42 H new ATOM 0 HD3 PRO A 80 7.354 3.925 1.690 1.00 2.42 H new ATOM 1184 N SER A 81 11.638 3.460 4.969 1.00 12.20 N ATOM 1185 CA SER A 81 12.173 3.233 6.306 1.00 2.43 C ATOM 1186 C SER A 81 11.293 2.261 7.086 1.00 2.32 C ATOM 1187 O SER A 81 11.062 2.438 8.282 1.00 45.31 O ATOM 1188 CB SER A 81 12.287 4.557 7.065 1.00 54.35 C ATOM 1189 OG SER A 81 12.744 5.595 6.214 1.00 35.41 O ATOM 0 H SER A 81 12.269 3.198 4.212 1.00 12.20 H new ATOM 0 HA SER A 81 13.166 2.795 6.203 1.00 2.43 H new ATOM 0 HB2 SER A 81 11.316 4.825 7.482 1.00 54.35 H new ATOM 0 HB3 SER A 81 12.974 4.441 7.904 1.00 54.35 H new ATOM 0 HG SER A 81 12.807 6.431 6.722 1.00 35.41 H new ATOM 1195 N ALA A 82 10.805 1.234 6.399 1.00 34.23 N ATOM 1196 CA ALA A 82 9.952 0.232 7.027 1.00 74.04 C ATOM 1197 C ALA A 82 10.768 -0.968 7.496 1.00 53.40 C ATOM 1198 O ALA A 82 11.337 -1.698 6.686 1.00 63.35 O ATOM 1199 CB ALA A 82 8.863 -0.213 6.062 1.00 73.04 C ATOM 0 H ALA A 82 10.985 1.074 5.408 1.00 34.23 H new ATOM 0 HA ALA A 82 9.485 0.685 7.902 1.00 74.04 H new ATOM 0 HB1 ALA A 82 8.233 -0.961 6.544 1.00 73.04 H new ATOM 0 HB2 ALA A 82 8.254 0.646 5.779 1.00 73.04 H new ATOM 0 HB3 ALA A 82 9.320 -0.643 5.171 1.00 73.04 H new ATOM 1205 N SER A 83 10.821 -1.164 8.809 1.00 35.25 N ATOM 1206 CA SER A 83 11.571 -2.273 9.387 1.00 61.01 C ATOM 1207 C SER A 83 10.636 -3.407 9.797 1.00 42.22 C ATOM 1208 O SER A 83 9.557 -3.170 10.341 1.00 60.05 O ATOM 1209 CB SER A 83 12.375 -1.796 10.598 1.00 31.53 C ATOM 1210 OG SER A 83 12.868 -0.483 10.398 1.00 22.14 O ATOM 0 H SER A 83 10.353 -0.569 9.493 1.00 35.25 H new ATOM 0 HA SER A 83 12.258 -2.649 8.629 1.00 61.01 H new ATOM 0 HB2 SER A 83 11.746 -1.820 11.488 1.00 31.53 H new ATOM 0 HB3 SER A 83 13.207 -2.477 10.777 1.00 31.53 H new ATOM 0 HG SER A 83 13.377 -0.201 11.187 1.00 22.14 H new ATOM 1216 N ILE A 84 11.059 -4.638 9.532 1.00 74.42 N ATOM 1217 CA ILE A 84 10.261 -5.809 9.874 1.00 75.35 C ATOM 1218 C ILE A 84 11.148 -7.021 10.137 1.00 75.40 C ATOM 1219 O ILE A 84 12.047 -7.344 9.361 1.00 42.22 O ATOM 1220 CB ILE A 84 9.259 -6.154 8.756 1.00 53.44 C ATOM 1221 CG1 ILE A 84 8.326 -7.280 9.206 1.00 41.02 C ATOM 1222 CG2 ILE A 84 9.997 -6.546 7.485 1.00 64.21 C ATOM 1223 CD1 ILE A 84 7.089 -6.789 9.924 1.00 32.12 C ATOM 0 H ILE A 84 11.949 -4.851 9.082 1.00 74.42 H new ATOM 0 HA ILE A 84 9.710 -5.561 10.781 1.00 75.35 H new ATOM 0 HB ILE A 84 8.656 -5.271 8.545 1.00 53.44 H new ATOM 0 HG12 ILE A 84 8.024 -7.861 8.334 1.00 41.02 H new ATOM 0 HG13 ILE A 84 8.874 -7.954 9.864 1.00 41.02 H new ATOM 0 HG21 ILE A 84 9.275 -6.787 6.705 1.00 64.21 H new ATOM 0 HG22 ILE A 84 10.623 -5.716 7.157 1.00 64.21 H new ATOM 0 HG23 ILE A 84 10.623 -7.417 7.681 1.00 64.21 H new ATOM 0 HD11 ILE A 84 6.474 -7.641 10.214 1.00 32.12 H new ATOM 0 HD12 ILE A 84 7.382 -6.233 10.815 1.00 32.12 H new ATOM 0 HD13 ILE A 84 6.518 -6.138 9.262 1.00 32.12 H new ATOM 1235 N PRO A 85 10.889 -7.712 11.258 1.00 53.45 N ATOM 1236 CA PRO A 85 11.651 -8.901 11.648 1.00 21.14 C ATOM 1237 C PRO A 85 11.377 -10.091 10.735 1.00 22.23 C ATOM 1238 O PRO A 85 10.281 -10.651 10.741 1.00 60.52 O ATOM 1239 CB PRO A 85 11.154 -9.190 13.067 1.00 25.32 C ATOM 1240 CG PRO A 85 9.790 -8.595 13.119 1.00 33.34 C ATOM 1241 CD PRO A 85 9.831 -7.384 12.229 1.00 65.41 C ATOM 0 HA PRO A 85 12.726 -8.735 11.583 1.00 21.14 H new ATOM 0 HB2 PRO A 85 11.126 -10.261 13.266 1.00 25.32 H new ATOM 0 HB3 PRO A 85 11.809 -8.743 13.815 1.00 25.32 H new ATOM 0 HG2 PRO A 85 9.040 -9.307 12.774 1.00 33.34 H new ATOM 0 HG3 PRO A 85 9.523 -8.320 14.139 1.00 33.34 H new ATOM 0 HD2 PRO A 85 8.873 -7.213 11.738 1.00 65.41 H new ATOM 0 HD3 PRO A 85 10.067 -6.480 12.791 1.00 65.41 H new ATOM 1249 N VAL A 86 12.381 -10.473 9.952 1.00 74.25 N ATOM 1250 CA VAL A 86 12.248 -11.598 9.034 1.00 62.23 C ATOM 1251 C VAL A 86 12.933 -12.843 9.587 1.00 2.42 C ATOM 1252 O VAL A 86 13.928 -12.749 10.306 1.00 65.03 O ATOM 1253 CB VAL A 86 12.845 -11.269 7.652 1.00 14.13 C ATOM 1254 CG1 VAL A 86 12.563 -12.393 6.667 1.00 21.11 C ATOM 1255 CG2 VAL A 86 12.296 -9.947 7.137 1.00 74.22 C ATOM 0 H VAL A 86 13.295 -10.020 9.935 1.00 74.25 H new ATOM 0 HA VAL A 86 11.181 -11.792 8.924 1.00 62.23 H new ATOM 0 HB VAL A 86 13.926 -11.172 7.755 1.00 14.13 H new ATOM 0 HG11 VAL A 86 12.992 -12.143 5.697 1.00 21.11 H new ATOM 0 HG12 VAL A 86 13.009 -13.318 7.033 1.00 21.11 H new ATOM 0 HG13 VAL A 86 11.486 -12.525 6.564 1.00 21.11 H new ATOM 0 HG21 VAL A 86 12.728 -9.730 6.160 1.00 74.22 H new ATOM 0 HG22 VAL A 86 11.212 -10.013 7.048 1.00 74.22 H new ATOM 0 HG23 VAL A 86 12.555 -9.150 7.834 1.00 74.22 H new ATOM 1265 N VAL A 87 12.394 -14.009 9.248 1.00 74.14 N ATOM 1266 CA VAL A 87 12.954 -15.274 9.709 1.00 14.31 C ATOM 1267 C VAL A 87 13.758 -15.953 8.607 1.00 62.32 C ATOM 1268 O VAL A 87 13.285 -16.102 7.480 1.00 62.31 O ATOM 1269 CB VAL A 87 11.850 -16.234 10.190 1.00 34.02 C ATOM 1270 CG1 VAL A 87 12.443 -17.582 10.572 1.00 11.50 C ATOM 1271 CG2 VAL A 87 11.088 -15.627 11.359 1.00 62.01 C ATOM 0 H VAL A 87 11.569 -14.104 8.655 1.00 74.14 H new ATOM 0 HA VAL A 87 13.613 -15.042 10.545 1.00 14.31 H new ATOM 0 HB VAL A 87 11.148 -16.392 9.371 1.00 34.02 H new ATOM 0 HG11 VAL A 87 11.648 -18.247 10.909 1.00 11.50 H new ATOM 0 HG12 VAL A 87 12.939 -18.020 9.706 1.00 11.50 H new ATOM 0 HG13 VAL A 87 13.168 -17.446 11.375 1.00 11.50 H new ATOM 0 HG21 VAL A 87 10.312 -16.319 11.686 1.00 62.01 H new ATOM 0 HG22 VAL A 87 11.776 -15.438 12.183 1.00 62.01 H new ATOM 0 HG23 VAL A 87 10.630 -14.689 11.047 1.00 62.01 H new ATOM 1281 N PHE A 88 14.977 -16.365 8.940 1.00 42.44 N ATOM 1282 CA PHE A 88 15.849 -17.029 7.978 1.00 41.34 C ATOM 1283 C PHE A 88 16.284 -18.398 8.493 1.00 43.54 C ATOM 1284 O PHE A 88 16.373 -18.619 9.700 1.00 34.02 O ATOM 1285 CB PHE A 88 17.079 -16.165 7.691 1.00 51.34 C ATOM 1286 CG PHE A 88 16.745 -14.737 7.364 1.00 64.14 C ATOM 1287 CD1 PHE A 88 16.638 -14.321 6.046 1.00 20.14 C ATOM 1288 CD2 PHE A 88 16.540 -13.811 8.374 1.00 71.14 C ATOM 1289 CE1 PHE A 88 16.331 -13.008 5.742 1.00 70.20 C ATOM 1290 CE2 PHE A 88 16.232 -12.497 8.075 1.00 21.23 C ATOM 1291 CZ PHE A 88 16.129 -12.095 6.758 1.00 52.10 C ATOM 0 H PHE A 88 15.383 -16.251 9.869 1.00 42.44 H new ATOM 0 HA PHE A 88 15.289 -17.169 7.054 1.00 41.34 H new ATOM 0 HB2 PHE A 88 17.739 -16.186 8.559 1.00 51.34 H new ATOM 0 HB3 PHE A 88 17.633 -16.600 6.859 1.00 51.34 H new ATOM 0 HD1 PHE A 88 16.796 -15.031 5.248 1.00 20.14 H new ATOM 0 HD2 PHE A 88 16.622 -14.119 9.406 1.00 71.14 H new ATOM 0 HE1 PHE A 88 16.249 -12.697 4.711 1.00 70.20 H new ATOM 0 HE2 PHE A 88 16.072 -11.785 8.871 1.00 21.23 H new ATOM 0 HZ PHE A 88 15.891 -11.068 6.523 1.00 52.10 H new ATOM 1301 N SER A 89 16.554 -19.313 7.567 1.00 5.23 N ATOM 1302 CA SER A 89 16.976 -20.662 7.927 1.00 42.44 C ATOM 1303 C SER A 89 18.260 -21.042 7.196 1.00 61.25 C ATOM 1304 O SER A 89 18.494 -20.614 6.065 1.00 2.45 O ATOM 1305 CB SER A 89 15.872 -21.668 7.599 1.00 73.31 C ATOM 1306 OG SER A 89 15.097 -21.967 8.747 1.00 13.21 O ATOM 0 H SER A 89 16.488 -19.145 6.563 1.00 5.23 H new ATOM 0 HA SER A 89 17.169 -20.682 9.000 1.00 42.44 H new ATOM 0 HB2 SER A 89 15.229 -21.265 6.817 1.00 73.31 H new ATOM 0 HB3 SER A 89 16.315 -22.584 7.207 1.00 73.31 H new ATOM 0 HG SER A 89 15.688 -22.073 9.522 1.00 13.21 H new ATOM 1312 N ARG A 90 19.088 -21.850 7.849 1.00 25.03 N ATOM 1313 CA ARG A 90 20.350 -22.288 7.263 1.00 35.13 C ATOM 1314 C ARG A 90 20.602 -23.764 7.557 1.00 11.01 C ATOM 1315 O ARG A 90 21.063 -24.121 8.641 1.00 23.32 O ATOM 1316 CB ARG A 90 21.507 -21.445 7.801 1.00 12.35 C ATOM 1317 CG ARG A 90 21.778 -20.191 6.986 1.00 71.34 C ATOM 1318 CD ARG A 90 22.872 -19.343 7.614 1.00 25.33 C ATOM 1319 NE ARG A 90 23.279 -18.242 6.745 1.00 32.14 N ATOM 1320 CZ ARG A 90 23.910 -17.157 7.180 1.00 20.23 C ATOM 1321 NH1 ARG A 90 24.206 -17.029 8.466 1.00 31.24 N ATOM 1322 NH2 ARG A 90 24.247 -16.198 6.328 1.00 41.31 N ATOM 0 H ARG A 90 18.908 -22.215 8.784 1.00 25.03 H new ATOM 0 HA ARG A 90 20.285 -22.156 6.183 1.00 35.13 H new ATOM 0 HB2 ARG A 90 21.289 -21.159 8.830 1.00 12.35 H new ATOM 0 HB3 ARG A 90 22.410 -22.055 7.824 1.00 12.35 H new ATOM 0 HG2 ARG A 90 22.069 -20.470 5.973 1.00 71.34 H new ATOM 0 HG3 ARG A 90 20.863 -19.604 6.905 1.00 71.34 H new ATOM 0 HD2 ARG A 90 22.520 -18.943 8.565 1.00 25.33 H new ATOM 0 HD3 ARG A 90 23.736 -19.970 7.833 1.00 25.33 H new ATOM 0 HE ARG A 90 23.067 -18.310 5.750 1.00 32.14 H new ATOM 0 HH11 ARG A 90 23.949 -17.765 9.124 1.00 31.24 H new ATOM 0 HH12 ARG A 90 24.691 -16.195 8.797 1.00 31.24 H new ATOM 0 HH21 ARG A 90 24.022 -16.293 5.338 1.00 41.31 H new ATOM 0 HH22 ARG A 90 24.731 -15.365 6.663 1.00 41.31 H new ATOM 1336 N ASP A 91 20.296 -24.616 6.585 1.00 31.00 N ATOM 1337 CA ASP A 91 20.490 -26.053 6.739 1.00 71.22 C ATOM 1338 C ASP A 91 19.655 -26.594 7.895 1.00 12.44 C ATOM 1339 O ASP A 91 20.037 -27.562 8.551 1.00 11.10 O ATOM 1340 CB ASP A 91 21.969 -26.368 6.970 1.00 14.14 C ATOM 1341 CG ASP A 91 22.886 -25.448 6.189 1.00 54.12 C ATOM 1342 OD1 ASP A 91 22.718 -25.351 4.955 1.00 52.42 O ATOM 1343 OD2 ASP A 91 23.771 -24.824 6.811 1.00 74.40 O ATOM 0 H ASP A 91 19.913 -24.337 5.682 1.00 31.00 H new ATOM 0 HA ASP A 91 20.162 -26.539 5.820 1.00 71.22 H new ATOM 0 HB2 ASP A 91 22.194 -26.283 8.033 1.00 14.14 H new ATOM 0 HB3 ASP A 91 22.166 -27.401 6.684 1.00 14.14 H new ATOM 1348 N GLY A 92 18.512 -25.959 8.141 1.00 61.42 N ATOM 1349 CA GLY A 92 17.642 -26.390 9.219 1.00 14.12 C ATOM 1350 C GLY A 92 17.791 -25.535 10.462 1.00 44.33 C ATOM 1351 O GLY A 92 16.995 -25.637 11.395 1.00 72.32 O ATOM 0 H GLY A 92 18.174 -25.154 7.613 1.00 61.42 H new ATOM 0 HA2 GLY A 92 16.606 -26.357 8.881 1.00 14.12 H new ATOM 0 HA3 GLY A 92 17.863 -27.428 9.467 1.00 14.12 H new ATOM 1355 N VAL A 93 18.817 -24.689 10.476 1.00 53.30 N ATOM 1356 CA VAL A 93 19.069 -23.812 11.614 1.00 60.44 C ATOM 1357 C VAL A 93 17.958 -22.780 11.770 1.00 73.54 C ATOM 1358 O VAL A 93 17.413 -22.284 10.783 1.00 24.41 O ATOM 1359 CB VAL A 93 20.417 -23.081 11.471 1.00 61.33 C ATOM 1360 CG1 VAL A 93 20.590 -22.057 12.582 1.00 30.53 C ATOM 1361 CG2 VAL A 93 21.566 -24.078 11.470 1.00 70.44 C ATOM 0 H VAL A 93 19.487 -24.593 9.713 1.00 53.30 H new ATOM 0 HA VAL A 93 19.099 -24.445 12.501 1.00 60.44 H new ATOM 0 HB VAL A 93 20.424 -22.552 10.518 1.00 61.33 H new ATOM 0 HG11 VAL A 93 21.548 -21.551 12.464 1.00 30.53 H new ATOM 0 HG12 VAL A 93 19.784 -21.325 12.531 1.00 30.53 H new ATOM 0 HG13 VAL A 93 20.562 -22.560 13.548 1.00 30.53 H new ATOM 0 HG21 VAL A 93 22.511 -23.544 11.368 1.00 70.44 H new ATOM 0 HG22 VAL A 93 21.564 -24.637 12.406 1.00 70.44 H new ATOM 0 HG23 VAL A 93 21.448 -24.769 10.635 1.00 70.44 H new ATOM 1371 N VAL A 94 17.625 -22.461 13.016 1.00 4.43 N ATOM 1372 CA VAL A 94 16.580 -21.486 13.303 1.00 55.25 C ATOM 1373 C VAL A 94 17.170 -20.193 13.854 1.00 55.33 C ATOM 1374 O VAL A 94 17.715 -20.168 14.957 1.00 72.13 O ATOM 1375 CB VAL A 94 15.556 -22.041 14.311 1.00 53.24 C ATOM 1376 CG1 VAL A 94 14.500 -20.994 14.630 1.00 14.14 C ATOM 1377 CG2 VAL A 94 14.914 -23.311 13.773 1.00 53.31 C ATOM 0 H VAL A 94 18.064 -22.864 13.844 1.00 4.43 H new ATOM 0 HA VAL A 94 16.074 -21.278 12.360 1.00 55.25 H new ATOM 0 HB VAL A 94 16.079 -22.289 15.235 1.00 53.24 H new ATOM 0 HG11 VAL A 94 13.785 -21.404 15.344 1.00 14.14 H new ATOM 0 HG12 VAL A 94 14.978 -20.114 15.060 1.00 14.14 H new ATOM 0 HG13 VAL A 94 13.979 -20.713 13.715 1.00 14.14 H new ATOM 0 HG21 VAL A 94 14.193 -23.690 14.498 1.00 53.31 H new ATOM 0 HG22 VAL A 94 14.404 -23.092 12.835 1.00 53.31 H new ATOM 0 HG23 VAL A 94 15.684 -24.063 13.600 1.00 53.31 H new ATOM 1387 N MET A 95 17.056 -19.119 13.078 1.00 30.34 N ATOM 1388 CA MET A 95 17.577 -17.821 13.490 1.00 0.03 C ATOM 1389 C MET A 95 16.605 -16.704 13.123 1.00 2.15 C ATOM 1390 O MET A 95 15.757 -16.870 12.247 1.00 13.52 O ATOM 1391 CB MET A 95 18.937 -17.564 12.839 1.00 3.42 C ATOM 1392 CG MET A 95 19.807 -16.588 13.615 1.00 43.21 C ATOM 1393 SD MET A 95 20.361 -17.256 15.196 1.00 53.34 S ATOM 1394 CE MET A 95 22.058 -16.685 15.229 1.00 63.34 C ATOM 0 H MET A 95 16.608 -19.123 12.162 1.00 30.34 H new ATOM 0 HA MET A 95 17.697 -17.832 14.573 1.00 0.03 H new ATOM 0 HB2 MET A 95 19.468 -18.511 12.739 1.00 3.42 H new ATOM 0 HB3 MET A 95 18.781 -17.178 11.832 1.00 3.42 H new ATOM 0 HG2 MET A 95 20.676 -16.324 13.012 1.00 43.21 H new ATOM 0 HG3 MET A 95 19.248 -15.669 13.789 1.00 43.21 H new ATOM 0 HE1 MET A 95 22.537 -17.020 16.149 1.00 63.34 H new ATOM 0 HE2 MET A 95 22.595 -17.091 14.372 1.00 63.34 H new ATOM 0 HE3 MET A 95 22.076 -15.596 15.186 1.00 63.34 H new ATOM 1404 N SER A 96 16.735 -15.567 13.800 1.00 52.13 N ATOM 1405 CA SER A 96 15.865 -14.424 13.547 1.00 20.13 C ATOM 1406 C SER A 96 16.656 -13.120 13.590 1.00 54.11 C ATOM 1407 O SER A 96 17.403 -12.865 14.533 1.00 24.24 O ATOM 1408 CB SER A 96 14.733 -14.381 14.575 1.00 32.14 C ATOM 1409 OG SER A 96 15.164 -13.781 15.784 1.00 23.25 O ATOM 0 H SER A 96 17.434 -15.413 14.527 1.00 52.13 H new ATOM 0 HA SER A 96 15.437 -14.537 12.551 1.00 20.13 H new ATOM 0 HB2 SER A 96 13.890 -13.822 14.169 1.00 32.14 H new ATOM 0 HB3 SER A 96 14.379 -15.393 14.773 1.00 32.14 H new ATOM 0 HG SER A 96 14.422 -13.764 16.424 1.00 23.25 H new ATOM 1415 N ALA A 97 16.484 -12.297 12.560 1.00 31.42 N ATOM 1416 CA ALA A 97 17.179 -11.019 12.480 1.00 51.33 C ATOM 1417 C ALA A 97 16.279 -9.941 11.884 1.00 31.25 C ATOM 1418 O ALA A 97 15.539 -10.191 10.933 1.00 75.34 O ATOM 1419 CB ALA A 97 18.451 -11.160 11.657 1.00 20.21 C ATOM 0 H ALA A 97 15.869 -12.493 11.770 1.00 31.42 H new ATOM 0 HA ALA A 97 17.446 -10.715 13.492 1.00 51.33 H new ATOM 0 HB1 ALA A 97 18.960 -10.197 11.606 1.00 20.21 H new ATOM 0 HB2 ALA A 97 19.108 -11.893 12.125 1.00 20.21 H new ATOM 0 HB3 ALA A 97 18.198 -11.491 10.650 1.00 20.21 H new ATOM 1425 N THR A 98 16.346 -8.740 12.451 1.00 23.53 N ATOM 1426 CA THR A 98 15.536 -7.625 11.978 1.00 63.20 C ATOM 1427 C THR A 98 16.206 -6.918 10.805 1.00 72.41 C ATOM 1428 O THR A 98 17.351 -6.478 10.906 1.00 41.54 O ATOM 1429 CB THR A 98 15.279 -6.602 13.100 1.00 11.11 C ATOM 1430 OG1 THR A 98 14.699 -7.255 14.235 1.00 41.30 O ATOM 1431 CG2 THR A 98 14.355 -5.493 12.620 1.00 72.14 C ATOM 0 H THR A 98 16.954 -8.515 13.239 1.00 23.53 H new ATOM 0 HA THR A 98 14.583 -8.042 11.652 1.00 63.20 H new ATOM 0 HB THR A 98 16.234 -6.160 13.384 1.00 11.11 H new ATOM 0 HG1 THR A 98 14.540 -6.598 14.945 1.00 41.30 H new ATOM 0 HG21 THR A 98 14.188 -4.783 13.430 1.00 72.14 H new ATOM 0 HG22 THR A 98 14.812 -4.979 11.775 1.00 72.14 H new ATOM 0 HG23 THR A 98 13.402 -5.922 12.311 1.00 72.14 H new ATOM 1439 N ILE A 99 15.485 -6.813 9.694 1.00 74.41 N ATOM 1440 CA ILE A 99 16.009 -6.158 8.502 1.00 2.04 C ATOM 1441 C ILE A 99 15.224 -4.891 8.181 1.00 73.11 C ATOM 1442 O ILE A 99 13.999 -4.922 8.055 1.00 4.34 O ATOM 1443 CB ILE A 99 15.971 -7.096 7.281 1.00 4.32 C ATOM 1444 CG1 ILE A 99 14.540 -7.566 7.016 1.00 53.53 C ATOM 1445 CG2 ILE A 99 16.894 -8.286 7.499 1.00 75.12 C ATOM 1446 CD1 ILE A 99 13.939 -6.990 5.752 1.00 2.45 C ATOM 0 H ILE A 99 14.536 -7.173 9.594 1.00 74.41 H new ATOM 0 HA ILE A 99 17.045 -5.896 8.716 1.00 2.04 H new ATOM 0 HB ILE A 99 16.320 -6.546 6.407 1.00 4.32 H new ATOM 0 HG12 ILE A 99 14.530 -8.654 6.951 1.00 53.53 H new ATOM 0 HG13 ILE A 99 13.913 -7.292 7.864 1.00 53.53 H new ATOM 0 HG21 ILE A 99 16.856 -8.940 6.628 1.00 75.12 H new ATOM 0 HG22 ILE A 99 17.915 -7.933 7.644 1.00 75.12 H new ATOM 0 HG23 ILE A 99 16.573 -8.839 8.382 1.00 75.12 H new ATOM 0 HD11 ILE A 99 12.924 -7.366 5.628 1.00 2.45 H new ATOM 0 HD12 ILE A 99 13.917 -5.903 5.822 1.00 2.45 H new ATOM 0 HD13 ILE A 99 14.543 -7.286 4.894 1.00 2.45 H new ATOM 1458 N VAL A 100 15.937 -3.777 8.047 1.00 73.21 N ATOM 1459 CA VAL A 100 15.307 -2.499 7.737 1.00 62.23 C ATOM 1460 C VAL A 100 15.602 -2.075 6.302 1.00 32.32 C ATOM 1461 O VAL A 100 16.748 -1.797 5.948 1.00 33.44 O ATOM 1462 CB VAL A 100 15.783 -1.392 8.696 1.00 41.23 C ATOM 1463 CG1 VAL A 100 14.995 -0.111 8.465 1.00 23.15 C ATOM 1464 CG2 VAL A 100 15.661 -1.850 10.141 1.00 74.30 C ATOM 0 H VAL A 100 16.951 -3.734 8.148 1.00 73.21 H new ATOM 0 HA VAL A 100 14.233 -2.637 7.858 1.00 62.23 H new ATOM 0 HB VAL A 100 16.834 -1.186 8.493 1.00 41.23 H new ATOM 0 HG11 VAL A 100 15.345 0.660 9.151 1.00 23.15 H new ATOM 0 HG12 VAL A 100 15.139 0.225 7.438 1.00 23.15 H new ATOM 0 HG13 VAL A 100 13.936 -0.299 8.640 1.00 23.15 H new ATOM 0 HG21 VAL A 100 16.002 -1.055 10.805 1.00 74.30 H new ATOM 0 HG22 VAL A 100 14.620 -2.085 10.361 1.00 74.30 H new ATOM 0 HG23 VAL A 100 16.274 -2.738 10.294 1.00 74.30 H new ATOM 1474 N VAL A 101 14.559 -2.027 5.479 1.00 21.31 N ATOM 1475 CA VAL A 101 14.705 -1.635 4.082 1.00 21.54 C ATOM 1476 C VAL A 101 14.247 -0.198 3.864 1.00 3.22 C ATOM 1477 O VAL A 101 13.133 0.173 4.232 1.00 62.44 O ATOM 1478 CB VAL A 101 13.903 -2.565 3.152 1.00 42.20 C ATOM 1479 CG1 VAL A 101 14.207 -2.253 1.695 1.00 63.45 C ATOM 1480 CG2 VAL A 101 14.203 -4.022 3.468 1.00 31.31 C ATOM 0 H VAL A 101 13.604 -2.255 5.756 1.00 21.31 H new ATOM 0 HA VAL A 101 15.765 -1.716 3.839 1.00 21.54 H new ATOM 0 HB VAL A 101 12.840 -2.392 3.322 1.00 42.20 H new ATOM 0 HG11 VAL A 101 13.632 -2.920 1.052 1.00 63.45 H new ATOM 0 HG12 VAL A 101 13.937 -1.219 1.480 1.00 63.45 H new ATOM 0 HG13 VAL A 101 15.271 -2.396 1.507 1.00 63.45 H new ATOM 0 HG21 VAL A 101 13.628 -4.665 2.802 1.00 31.31 H new ATOM 0 HG22 VAL A 101 15.267 -4.213 3.328 1.00 31.31 H new ATOM 0 HG23 VAL A 101 13.930 -4.234 4.502 1.00 31.31 H new ATOM 1490 N GLY A 102 15.116 0.609 3.263 1.00 51.45 N ATOM 1491 CA GLY A 102 14.783 1.998 3.005 1.00 15.20 C ATOM 1492 C GLY A 102 14.492 2.263 1.541 1.00 64.10 C ATOM 1493 O GLY A 102 15.393 2.210 0.704 1.00 1.44 O ATOM 0 H GLY A 102 16.045 0.326 2.950 1.00 51.45 H new ATOM 0 HA2 GLY A 102 13.914 2.277 3.601 1.00 15.20 H new ATOM 0 HA3 GLY A 102 15.608 2.632 3.329 1.00 15.20 H new ATOM 1497 N GLU A 103 13.231 2.546 1.231 1.00 41.50 N ATOM 1498 CA GLU A 103 12.825 2.818 -0.143 1.00 63.41 C ATOM 1499 C GLU A 103 12.906 4.310 -0.450 1.00 5.20 C ATOM 1500 O GLU A 103 13.116 4.710 -1.596 1.00 64.51 O ATOM 1501 CB GLU A 103 11.402 2.312 -0.387 1.00 51.22 C ATOM 1502 CG GLU A 103 11.346 0.949 -1.056 1.00 42.35 C ATOM 1503 CD GLU A 103 11.273 -0.189 -0.057 1.00 42.11 C ATOM 1504 OE1 GLU A 103 11.009 -1.334 -0.481 1.00 11.41 O ATOM 1505 OE2 GLU A 103 11.480 0.065 1.148 1.00 72.31 O ATOM 0 H GLU A 103 12.473 2.593 1.912 1.00 41.50 H new ATOM 0 HA GLU A 103 13.509 2.291 -0.808 1.00 63.41 H new ATOM 0 HB2 GLU A 103 10.875 2.261 0.566 1.00 51.22 H new ATOM 0 HB3 GLU A 103 10.870 3.034 -1.007 1.00 51.22 H new ATOM 0 HG2 GLU A 103 10.478 0.907 -1.713 1.00 42.35 H new ATOM 0 HG3 GLU A 103 12.228 0.820 -1.684 1.00 42.35 H new