USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 913 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc= -2.01! C(o=-2!,f=-6.6!) USER MOD Set 2.1: A 9 MET CE :methyl 166:sc= -1.17 (180deg=-1.48) USER MOD Set 2.2: A 27 SER OG : rot 180:sc=-0.00243 USER MOD Single : A 2 SER OG : rot -168:sc= 1.09 USER MOD Single : A 3 SER OG : rot -25:sc= 0.527 USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 11 ASN : amide:sc= -4! C(o=-4!,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -0.0234 (180deg=-0.186) USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.396 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= 1.24 (180deg=1.07) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 168:sc= -0.215 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -1.19 (180deg=-1.53!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.0066) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= 0.209 F(o=-0.81,f=0.21) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.125 (180deg=-0.54) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.459 F(o=-0.96,f=-0.46) USER MOD Single : A 53 SER OG : rot 20:sc= 1.25 USER MOD Single : A 54 SER OG : rot -130:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 122:sc= 0.203 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 0.678 (180deg=0.451) USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.818) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 120:sc= -0.647 USER MOD Single : A 86 MET CE :methyl 160:sc= -0.112 (180deg=-0.609) USER MOD Single : A 87 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.084) USER MOD Single : A 93 THR OG1 : rot -37:sc= -0.559 USER MOD Single : A 98 ASN : amide:sc= -0.0466 X(o=-0.047,f=-0.3) USER MOD Single : A 99 SER OG : rot -140:sc= -2.26! USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.268 K(o=0.27,f=-1) USER MOD Single : A 104 ASN : amide:sc= 0.957 K(o=0.96,f=-3.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 45:sc= 0.138 USER MOD Single : A 111 SER OG : rot -10:sc= 0.781 USER MOD Single : A 112 ASN : amide:sc= -0.452 K(o=-0.45,f=-3.4!) USER MOD Single : A 113 CYS SG : rot 102:sc= 1.21 USER MOD Single : A 114 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -15.664 -17.365 10.524 1.00 3.31 N ATOM 2 CA SER A 2 -14.942 -18.460 9.929 1.00 0.14 C ATOM 3 C SER A 2 -13.657 -18.681 10.711 1.00 23.24 C ATOM 4 O SER A 2 -13.535 -18.240 11.869 1.00 71.50 O ATOM 5 CB SER A 2 -14.599 -18.098 8.504 1.00 62.43 C ATOM 6 OG SER A 2 -13.730 -16.992 8.498 1.00 73.33 O ATOM 0 HA SER A 2 -15.547 -19.366 9.946 1.00 0.14 H new ATOM 0 HB2 SER A 2 -14.130 -18.946 8.005 1.00 62.43 H new ATOM 0 HB3 SER A 2 -15.507 -17.864 7.948 1.00 62.43 H new ATOM 0 HG SER A 2 -13.660 -16.636 7.588 1.00 73.33 H new ATOM 12 N SER A 3 -12.700 -19.344 10.100 1.00 24.51 N ATOM 13 CA SER A 3 -11.454 -19.585 10.740 1.00 11.12 C ATOM 14 C SER A 3 -10.365 -18.612 10.252 1.00 45.31 C ATOM 15 O SER A 3 -9.225 -18.673 10.718 1.00 2.14 O ATOM 16 CB SER A 3 -11.034 -21.044 10.554 1.00 10.44 C ATOM 17 OG SER A 3 -9.858 -21.344 11.282 1.00 21.44 O ATOM 0 H SER A 3 -12.775 -19.722 9.156 1.00 24.51 H new ATOM 0 HA SER A 3 -11.580 -19.402 11.807 1.00 11.12 H new ATOM 0 HB2 SER A 3 -11.841 -21.700 10.879 1.00 10.44 H new ATOM 0 HB3 SER A 3 -10.868 -21.243 9.495 1.00 10.44 H new ATOM 0 HG SER A 3 -9.337 -20.524 11.414 1.00 21.44 H new ATOM 23 N ASN A 4 -10.714 -17.703 9.348 1.00 15.54 N ATOM 24 CA ASN A 4 -9.708 -16.752 8.835 1.00 1.11 C ATOM 25 C ASN A 4 -10.348 -15.458 8.307 1.00 4.40 C ATOM 26 O ASN A 4 -10.215 -14.402 8.923 1.00 24.35 O ATOM 27 CB ASN A 4 -8.786 -17.406 7.774 1.00 33.21 C ATOM 28 CG ASN A 4 -7.609 -16.517 7.362 1.00 12.44 C ATOM 29 OD1 ASN A 4 -7.766 -15.757 6.306 1.00 71.13 O flip ATOM 30 ND2 ASN A 4 -6.548 -16.551 7.986 1.00 33.11 N flip ATOM 0 H ASN A 4 -11.651 -17.597 8.960 1.00 15.54 H new ATOM 0 HA ASN A 4 -9.082 -16.473 9.682 1.00 1.11 H new ATOM 0 HB2 ASN A 4 -8.401 -18.347 8.168 1.00 33.21 H new ATOM 0 HB3 ASN A 4 -9.376 -17.648 6.890 1.00 33.21 H new ATOM 0 HD21 ASN A 4 -6.457 -17.153 8.804 1.00 33.11 H new ATOM 0 HD22 ASN A 4 -5.760 -15.977 7.685 1.00 33.11 H new ATOM 37 N VAL A 5 -11.052 -15.530 7.187 1.00 61.23 N ATOM 38 CA VAL A 5 -11.679 -14.345 6.630 1.00 4.14 C ATOM 39 C VAL A 5 -13.137 -14.333 7.083 1.00 21.41 C ATOM 40 O VAL A 5 -13.900 -15.197 6.673 1.00 42.32 O ATOM 41 CB VAL A 5 -11.657 -14.351 5.088 1.00 52.31 C ATOM 42 CG1 VAL A 5 -12.098 -13.014 4.546 1.00 34.10 C ATOM 43 CG2 VAL A 5 -10.311 -14.749 4.537 1.00 41.35 C ATOM 0 H VAL A 5 -11.201 -16.386 6.653 1.00 61.23 H new ATOM 0 HA VAL A 5 -11.130 -13.469 6.975 1.00 4.14 H new ATOM 0 HB VAL A 5 -12.366 -15.109 4.755 1.00 52.31 H new ATOM 0 HG11 VAL A 5 -12.076 -13.038 3.456 1.00 34.10 H new ATOM 0 HG12 VAL A 5 -13.112 -12.801 4.884 1.00 34.10 H new ATOM 0 HG13 VAL A 5 -11.425 -12.236 4.906 1.00 34.10 H new ATOM 0 HG21 VAL A 5 -10.346 -14.738 3.448 1.00 41.35 H new ATOM 0 HG22 VAL A 5 -9.554 -14.045 4.883 1.00 41.35 H new ATOM 0 HG23 VAL A 5 -10.059 -15.752 4.882 1.00 41.35 H new ATOM 53 N PRO A 6 -13.546 -13.336 7.893 1.00 41.50 N ATOM 54 CA PRO A 6 -14.878 -13.295 8.588 1.00 54.41 C ATOM 55 C PRO A 6 -16.154 -13.284 7.725 1.00 14.03 C ATOM 56 O PRO A 6 -17.209 -12.916 8.228 1.00 44.51 O ATOM 57 CB PRO A 6 -14.810 -12.022 9.431 1.00 73.03 C ATOM 58 CG PRO A 6 -13.740 -11.200 8.814 1.00 31.42 C ATOM 59 CD PRO A 6 -12.740 -12.160 8.243 1.00 25.31 C ATOM 0 HA PRO A 6 -14.996 -14.233 9.131 1.00 54.41 H new ATOM 0 HB2 PRO A 6 -15.764 -11.495 9.425 1.00 73.03 H new ATOM 0 HB3 PRO A 6 -14.579 -12.251 10.471 1.00 73.03 H new ATOM 0 HG2 PRO A 6 -14.147 -10.555 8.035 1.00 31.42 H new ATOM 0 HG3 PRO A 6 -13.274 -10.550 9.555 1.00 31.42 H new ATOM 0 HD2 PRO A 6 -12.239 -11.744 7.369 1.00 25.31 H new ATOM 0 HD3 PRO A 6 -11.964 -12.408 8.967 1.00 25.31 H new ATOM 67 N ALA A 7 -16.061 -13.705 6.483 1.00 14.04 N ATOM 68 CA ALA A 7 -17.199 -13.804 5.520 1.00 73.34 C ATOM 69 C ALA A 7 -17.859 -12.456 5.165 1.00 35.54 C ATOM 70 O ALA A 7 -18.341 -12.281 4.087 1.00 22.31 O ATOM 71 CB ALA A 7 -18.246 -14.816 5.993 1.00 44.42 C ATOM 0 H ALA A 7 -15.174 -14.004 6.077 1.00 14.04 H new ATOM 0 HA ALA A 7 -16.750 -14.162 4.593 1.00 73.34 H new ATOM 0 HB1 ALA A 7 -19.060 -14.863 5.269 1.00 44.42 H new ATOM 0 HB2 ALA A 7 -17.786 -15.800 6.086 1.00 44.42 H new ATOM 0 HB3 ALA A 7 -18.639 -14.507 6.961 1.00 44.42 H new ATOM 77 N ASP A 8 -17.887 -11.541 6.077 1.00 23.23 N ATOM 78 CA ASP A 8 -18.471 -10.226 5.849 1.00 45.21 C ATOM 79 C ASP A 8 -17.427 -9.285 5.244 1.00 1.51 C ATOM 80 O ASP A 8 -17.732 -8.202 4.767 1.00 52.51 O ATOM 81 CB ASP A 8 -19.017 -9.690 7.182 1.00 72.45 C ATOM 82 CG ASP A 8 -19.670 -8.332 7.089 1.00 11.21 C ATOM 83 OD1 ASP A 8 -20.822 -8.248 6.625 1.00 54.23 O ATOM 84 OD2 ASP A 8 -19.047 -7.331 7.510 1.00 51.55 O ATOM 0 H ASP A 8 -17.507 -11.669 7.015 1.00 23.23 H new ATOM 0 HA ASP A 8 -19.294 -10.295 5.138 1.00 45.21 H new ATOM 0 HB2 ASP A 8 -19.742 -10.402 7.576 1.00 72.45 H new ATOM 0 HB3 ASP A 8 -18.199 -9.638 7.901 1.00 72.45 H new ATOM 89 N MET A 9 -16.197 -9.740 5.237 1.00 60.24 N ATOM 90 CA MET A 9 -15.087 -8.962 4.717 1.00 44.03 C ATOM 91 C MET A 9 -14.373 -9.765 3.644 1.00 2.51 C ATOM 92 O MET A 9 -14.427 -11.011 3.647 1.00 4.14 O ATOM 93 CB MET A 9 -14.093 -8.663 5.851 1.00 12.21 C ATOM 94 CG MET A 9 -14.681 -7.900 7.029 1.00 73.44 C ATOM 95 SD MET A 9 -15.098 -6.187 6.663 1.00 32.11 S ATOM 96 CE MET A 9 -13.457 -5.515 6.437 1.00 1.54 C ATOM 0 H MET A 9 -15.932 -10.659 5.591 1.00 60.24 H new ATOM 0 HA MET A 9 -15.465 -8.029 4.300 1.00 44.03 H new ATOM 0 HB2 MET A 9 -13.684 -9.606 6.214 1.00 12.21 H new ATOM 0 HB3 MET A 9 -13.260 -8.090 5.444 1.00 12.21 H new ATOM 0 HG2 MET A 9 -15.578 -8.416 7.370 1.00 73.44 H new ATOM 0 HG3 MET A 9 -13.968 -7.921 7.853 1.00 73.44 H new ATOM 0 HE1 MET A 9 -13.527 -4.535 5.965 1.00 1.54 H new ATOM 0 HE2 MET A 9 -12.967 -5.417 7.406 1.00 1.54 H new ATOM 0 HE3 MET A 9 -12.875 -6.183 5.802 1.00 1.54 H new ATOM 106 N ILE A 10 -13.736 -9.077 2.728 1.00 54.15 N ATOM 107 CA ILE A 10 -12.900 -9.718 1.731 1.00 23.43 C ATOM 108 C ILE A 10 -11.444 -9.584 2.179 1.00 55.03 C ATOM 109 O ILE A 10 -11.052 -8.548 2.729 1.00 0.02 O ATOM 110 CB ILE A 10 -13.155 -9.170 0.253 1.00 11.01 C ATOM 111 CG1 ILE A 10 -13.039 -7.661 0.118 1.00 34.20 C ATOM 112 CG2 ILE A 10 -14.469 -9.618 -0.319 1.00 51.33 C ATOM 113 CD1 ILE A 10 -11.647 -7.144 -0.138 1.00 14.50 C ATOM 0 H ILE A 10 -13.779 -8.061 2.649 1.00 54.15 H new ATOM 0 HA ILE A 10 -13.161 -10.774 1.665 1.00 23.43 H new ATOM 0 HB ILE A 10 -12.345 -9.616 -0.325 1.00 11.01 H new ATOM 0 HG12 ILE A 10 -13.686 -7.335 -0.696 1.00 34.20 H new ATOM 0 HG13 ILE A 10 -13.418 -7.201 1.030 1.00 34.20 H new ATOM 0 HG21 ILE A 10 -14.585 -9.214 -1.325 1.00 51.33 H new ATOM 0 HG22 ILE A 10 -14.496 -10.707 -0.360 1.00 51.33 H new ATOM 0 HG23 ILE A 10 -15.282 -9.259 0.312 1.00 51.33 H new ATOM 0 HD11 ILE A 10 -11.672 -6.057 -0.218 1.00 14.50 H new ATOM 0 HD12 ILE A 10 -10.995 -7.432 0.686 1.00 14.50 H new ATOM 0 HD13 ILE A 10 -11.267 -7.568 -1.067 1.00 14.50 H new ATOM 125 N ASN A 11 -10.659 -10.615 2.018 1.00 25.12 N ATOM 126 CA ASN A 11 -9.303 -10.553 2.518 1.00 32.30 C ATOM 127 C ASN A 11 -8.396 -10.216 1.371 1.00 0.52 C ATOM 128 O ASN A 11 -8.356 -10.934 0.369 1.00 71.21 O ATOM 129 CB ASN A 11 -8.900 -11.881 3.140 1.00 44.45 C ATOM 130 CG ASN A 11 -7.734 -11.786 4.121 1.00 31.21 C ATOM 131 OD1 ASN A 11 -7.642 -12.591 5.051 1.00 73.44 O ATOM 132 ND2 ASN A 11 -6.861 -10.832 3.955 1.00 14.50 N ATOM 0 H ASN A 11 -10.920 -11.487 1.558 1.00 25.12 H new ATOM 0 HA ASN A 11 -9.228 -9.789 3.292 1.00 32.30 H new ATOM 0 HB2 ASN A 11 -9.762 -12.303 3.657 1.00 44.45 H new ATOM 0 HB3 ASN A 11 -8.634 -12.576 2.344 1.00 44.45 H new ATOM 0 HD21 ASN A 11 -6.079 -10.738 4.603 1.00 14.50 H new ATOM 0 HD22 ASN A 11 -6.960 -10.179 3.177 1.00 14.50 H new ATOM 139 N LEU A 12 -7.678 -9.144 1.501 1.00 10.20 N ATOM 140 CA LEU A 12 -6.859 -8.670 0.430 1.00 10.44 C ATOM 141 C LEU A 12 -5.418 -8.457 0.853 1.00 12.34 C ATOM 142 O LEU A 12 -5.145 -7.888 1.919 1.00 40.23 O ATOM 143 CB LEU A 12 -7.463 -7.372 -0.100 1.00 21.12 C ATOM 144 CG LEU A 12 -6.648 -6.583 -1.115 1.00 2.13 C ATOM 145 CD1 LEU A 12 -6.357 -7.377 -2.368 1.00 62.34 C ATOM 146 CD2 LEU A 12 -7.337 -5.283 -1.433 1.00 31.10 C ATOM 0 H LEU A 12 -7.643 -8.576 2.347 1.00 10.20 H new ATOM 0 HA LEU A 12 -6.837 -9.428 -0.353 1.00 10.44 H new ATOM 0 HB2 LEU A 12 -8.426 -7.609 -0.552 1.00 21.12 H new ATOM 0 HB3 LEU A 12 -7.662 -6.721 0.751 1.00 21.12 H new ATOM 0 HG LEU A 12 -5.680 -6.365 -0.664 1.00 2.13 H new ATOM 0 HD11 LEU A 12 -5.773 -6.767 -3.058 1.00 62.34 H new ATOM 0 HD12 LEU A 12 -5.792 -8.272 -2.108 1.00 62.34 H new ATOM 0 HD13 LEU A 12 -7.295 -7.665 -2.843 1.00 62.34 H new ATOM 0 HD21 LEU A 12 -6.746 -4.726 -2.160 1.00 31.10 H new ATOM 0 HD22 LEU A 12 -8.324 -5.486 -1.848 1.00 31.10 H new ATOM 0 HD23 LEU A 12 -7.441 -4.694 -0.522 1.00 31.10 H new ATOM 158 N ARG A 13 -4.506 -8.940 0.036 1.00 34.51 N ATOM 159 CA ARG A 13 -3.127 -8.658 0.222 1.00 63.54 C ATOM 160 C ARG A 13 -2.654 -7.699 -0.857 1.00 12.44 C ATOM 161 O ARG A 13 -2.746 -7.982 -2.056 1.00 42.22 O ATOM 162 CB ARG A 13 -2.275 -9.933 0.258 1.00 12.12 C ATOM 163 CG ARG A 13 -0.797 -9.641 0.479 1.00 33.22 C ATOM 164 CD ARG A 13 -0.011 -10.874 0.865 1.00 52.20 C ATOM 165 NE ARG A 13 -0.038 -11.934 -0.145 1.00 51.14 N ATOM 166 CZ ARG A 13 0.996 -12.747 -0.428 1.00 61.14 C ATOM 167 NH1 ARG A 13 2.194 -12.530 0.122 1.00 34.14 N ATOM 168 NH2 ARG A 13 0.833 -13.766 -1.278 1.00 74.34 N ATOM 0 H ARG A 13 -4.713 -9.534 -0.767 1.00 34.51 H new ATOM 0 HA ARG A 13 -3.003 -8.184 1.195 1.00 63.54 H new ATOM 0 HB2 ARG A 13 -2.636 -10.585 1.053 1.00 12.12 H new ATOM 0 HB3 ARG A 13 -2.399 -10.475 -0.679 1.00 12.12 H new ATOM 0 HG2 ARG A 13 -0.375 -9.216 -0.431 1.00 33.22 H new ATOM 0 HG3 ARG A 13 -0.692 -8.889 1.261 1.00 33.22 H new ATOM 0 HD2 ARG A 13 1.025 -10.589 1.051 1.00 52.20 H new ATOM 0 HD3 ARG A 13 -0.407 -11.267 1.801 1.00 52.20 H new ATOM 0 HE ARG A 13 -0.902 -12.065 -0.671 1.00 51.14 H new ATOM 0 HH11 ARG A 13 2.328 -11.745 0.760 1.00 34.14 H new ATOM 0 HH12 ARG A 13 2.975 -13.149 -0.096 1.00 34.14 H new ATOM 0 HH21 ARG A 13 -0.076 -13.927 -1.712 1.00 74.34 H new ATOM 0 HH22 ARG A 13 1.617 -14.382 -1.492 1.00 74.34 H new ATOM 182 N LEU A 14 -2.160 -6.590 -0.409 1.00 32.32 N ATOM 183 CA LEU A 14 -1.650 -5.517 -1.237 1.00 10.14 C ATOM 184 C LEU A 14 -0.138 -5.672 -1.361 1.00 55.05 C ATOM 185 O LEU A 14 0.557 -5.823 -0.343 1.00 22.30 O ATOM 186 CB LEU A 14 -2.009 -4.105 -0.598 1.00 45.01 C ATOM 187 CG LEU A 14 -3.507 -3.702 -0.495 1.00 64.23 C ATOM 188 CD1 LEU A 14 -4.182 -3.624 -1.845 1.00 53.40 C ATOM 189 CD2 LEU A 14 -4.291 -4.590 0.436 1.00 24.32 C ATOM 0 H LEU A 14 -2.093 -6.387 0.588 1.00 32.32 H new ATOM 0 HA LEU A 14 -2.108 -5.567 -2.225 1.00 10.14 H new ATOM 0 HB2 LEU A 14 -1.588 -4.078 0.407 1.00 45.01 H new ATOM 0 HB3 LEU A 14 -1.497 -3.338 -1.179 1.00 45.01 H new ATOM 0 HG LEU A 14 -3.503 -2.700 -0.066 1.00 64.23 H new ATOM 0 HD11 LEU A 14 -5.226 -3.339 -1.714 1.00 53.40 H new ATOM 0 HD12 LEU A 14 -3.677 -2.880 -2.462 1.00 53.40 H new ATOM 0 HD13 LEU A 14 -4.130 -4.597 -2.334 1.00 53.40 H new ATOM 0 HD21 LEU A 14 -5.329 -4.259 0.466 1.00 24.32 H new ATOM 0 HD22 LEU A 14 -4.248 -5.619 0.079 1.00 24.32 H new ATOM 0 HD23 LEU A 14 -3.863 -4.535 1.437 1.00 24.32 H new ATOM 201 N ILE A 15 0.382 -5.686 -2.581 1.00 23.11 N ATOM 202 CA ILE A 15 1.818 -5.800 -2.750 1.00 24.41 C ATOM 203 C ILE A 15 2.382 -4.424 -3.013 1.00 11.03 C ATOM 204 O ILE A 15 2.000 -3.766 -3.993 1.00 45.40 O ATOM 205 CB ILE A 15 2.240 -6.698 -3.941 1.00 72.45 C ATOM 206 CG1 ILE A 15 1.449 -8.011 -3.991 1.00 1.10 C ATOM 207 CG2 ILE A 15 3.747 -6.987 -3.852 1.00 22.21 C ATOM 208 CD1 ILE A 15 1.650 -8.908 -2.851 1.00 24.05 C ATOM 0 H ILE A 15 -0.155 -5.622 -3.446 1.00 23.11 H new ATOM 0 HA ILE A 15 2.199 -6.254 -1.836 1.00 24.41 H new ATOM 0 HB ILE A 15 2.017 -6.159 -4.862 1.00 72.45 H new ATOM 0 HG12 ILE A 15 0.388 -7.774 -4.062 1.00 1.10 H new ATOM 0 HG13 ILE A 15 1.719 -8.544 -4.903 1.00 1.10 H new ATOM 0 HG21 ILE A 15 4.046 -7.618 -4.689 1.00 22.21 H new ATOM 0 HG22 ILE A 15 4.300 -6.049 -3.889 1.00 22.21 H new ATOM 0 HG23 ILE A 15 3.965 -7.499 -2.915 1.00 22.21 H new ATOM 0 HD11 ILE A 15 1.047 -9.806 -2.984 1.00 24.05 H new ATOM 0 HD12 ILE A 15 2.702 -9.184 -2.786 1.00 24.05 H new ATOM 0 HD13 ILE A 15 1.351 -8.402 -1.933 1.00 24.05 H new ATOM 220 N LEU A 16 3.262 -3.997 -2.160 1.00 61.00 N ATOM 221 CA LEU A 16 3.923 -2.717 -2.306 1.00 53.12 C ATOM 222 C LEU A 16 5.034 -2.844 -3.355 1.00 40.24 C ATOM 223 O LEU A 16 5.590 -3.939 -3.537 1.00 31.04 O ATOM 224 CB LEU A 16 4.524 -2.252 -0.945 1.00 54.35 C ATOM 225 CG LEU A 16 3.551 -1.839 0.202 1.00 12.03 C ATOM 226 CD1 LEU A 16 2.654 -2.983 0.661 1.00 5.24 C ATOM 227 CD2 LEU A 16 4.339 -1.287 1.382 1.00 33.33 C ATOM 0 H LEU A 16 3.550 -4.523 -1.335 1.00 61.00 H new ATOM 0 HA LEU A 16 3.195 -1.973 -2.629 1.00 53.12 H new ATOM 0 HB2 LEU A 16 5.154 -3.058 -0.569 1.00 54.35 H new ATOM 0 HB3 LEU A 16 5.178 -1.403 -1.145 1.00 54.35 H new ATOM 0 HG LEU A 16 2.896 -1.066 -0.201 1.00 12.03 H new ATOM 0 HD11 LEU A 16 2.000 -2.634 1.460 1.00 5.24 H new ATOM 0 HD12 LEU A 16 2.050 -3.330 -0.177 1.00 5.24 H new ATOM 0 HD13 LEU A 16 3.270 -3.804 1.029 1.00 5.24 H new ATOM 0 HD21 LEU A 16 3.651 -1.001 2.178 1.00 33.33 H new ATOM 0 HD22 LEU A 16 5.024 -2.050 1.751 1.00 33.33 H new ATOM 0 HD23 LEU A 16 4.907 -0.413 1.063 1.00 33.33 H new ATOM 239 N VAL A 17 5.392 -1.741 -4.025 1.00 73.03 N ATOM 240 CA VAL A 17 6.439 -1.780 -5.058 1.00 24.15 C ATOM 241 C VAL A 17 7.814 -2.015 -4.439 1.00 41.25 C ATOM 242 O VAL A 17 8.778 -2.347 -5.122 1.00 13.34 O ATOM 243 CB VAL A 17 6.462 -0.520 -5.974 1.00 41.12 C ATOM 244 CG1 VAL A 17 5.159 -0.375 -6.720 1.00 65.43 C ATOM 245 CG2 VAL A 17 6.772 0.748 -5.193 1.00 5.34 C ATOM 0 H VAL A 17 4.979 -0.821 -3.874 1.00 73.03 H new ATOM 0 HA VAL A 17 6.186 -2.623 -5.701 1.00 24.15 H new ATOM 0 HB VAL A 17 7.265 -0.664 -6.696 1.00 41.12 H new ATOM 0 HG11 VAL A 17 5.199 0.512 -7.353 1.00 65.43 H new ATOM 0 HG12 VAL A 17 4.995 -1.256 -7.340 1.00 65.43 H new ATOM 0 HG13 VAL A 17 4.341 -0.275 -6.007 1.00 65.43 H new ATOM 0 HG21 VAL A 17 6.778 1.601 -5.872 1.00 5.34 H new ATOM 0 HG22 VAL A 17 6.011 0.899 -4.427 1.00 5.34 H new ATOM 0 HG23 VAL A 17 7.749 0.654 -4.720 1.00 5.34 H new ATOM 255 N SER A 18 7.879 -1.861 -3.134 1.00 62.34 N ATOM 256 CA SER A 18 9.080 -2.116 -2.385 1.00 75.42 C ATOM 257 C SER A 18 9.282 -3.642 -2.222 1.00 32.40 C ATOM 258 O SER A 18 10.325 -4.095 -1.769 1.00 30.41 O ATOM 259 CB SER A 18 8.955 -1.451 -1.020 1.00 45.51 C ATOM 260 OG SER A 18 8.626 -0.074 -1.159 1.00 50.44 O ATOM 0 H SER A 18 7.092 -1.553 -2.563 1.00 62.34 H new ATOM 0 HA SER A 18 9.943 -1.708 -2.912 1.00 75.42 H new ATOM 0 HB2 SER A 18 8.188 -1.956 -0.433 1.00 45.51 H new ATOM 0 HB3 SER A 18 9.893 -1.553 -0.473 1.00 45.51 H new ATOM 0 HG SER A 18 8.548 0.335 -0.272 1.00 50.44 H new ATOM 266 N GLY A 19 8.259 -4.413 -2.596 1.00 51.42 N ATOM 267 CA GLY A 19 8.334 -5.859 -2.532 1.00 32.11 C ATOM 268 C GLY A 19 7.790 -6.411 -1.250 1.00 41.14 C ATOM 269 O GLY A 19 7.903 -7.607 -0.983 1.00 74.33 O ATOM 0 H GLY A 19 7.371 -4.052 -2.946 1.00 51.42 H new ATOM 0 HA2 GLY A 19 7.781 -6.285 -3.369 1.00 32.11 H new ATOM 0 HA3 GLY A 19 9.373 -6.170 -2.645 1.00 32.11 H new ATOM 273 N LYS A 20 7.206 -5.556 -0.457 1.00 2.40 N ATOM 274 CA LYS A 20 6.591 -5.968 0.781 1.00 11.34 C ATOM 275 C LYS A 20 5.170 -6.370 0.497 1.00 51.14 C ATOM 276 O LYS A 20 4.451 -5.650 -0.200 1.00 22.33 O ATOM 277 CB LYS A 20 6.605 -4.832 1.846 1.00 4.01 C ATOM 278 CG LYS A 20 7.961 -4.515 2.511 1.00 53.34 C ATOM 279 CD LYS A 20 9.042 -4.096 1.526 1.00 24.33 C ATOM 280 CE LYS A 20 10.347 -3.744 2.233 1.00 75.32 C ATOM 281 NZ LYS A 20 10.879 -4.865 3.043 1.00 4.43 N ATOM 0 H LYS A 20 7.141 -4.556 -0.647 1.00 2.40 H new ATOM 0 HA LYS A 20 7.161 -6.804 1.187 1.00 11.34 H new ATOM 0 HB2 LYS A 20 6.237 -3.921 1.375 1.00 4.01 H new ATOM 0 HB3 LYS A 20 5.895 -5.094 2.631 1.00 4.01 H new ATOM 0 HG2 LYS A 20 7.820 -3.719 3.242 1.00 53.34 H new ATOM 0 HG3 LYS A 20 8.302 -5.394 3.058 1.00 53.34 H new ATOM 0 HD2 LYS A 20 9.220 -4.904 0.816 1.00 24.33 H new ATOM 0 HD3 LYS A 20 8.697 -3.237 0.951 1.00 24.33 H new ATOM 0 HE2 LYS A 20 11.090 -3.453 1.491 1.00 75.32 H new ATOM 0 HE3 LYS A 20 10.185 -2.880 2.878 1.00 75.32 H new ATOM 0 HZ1 LYS A 20 11.842 -4.636 3.362 1.00 4.43 H new ATOM 0 HZ2 LYS A 20 10.267 -5.017 3.870 1.00 4.43 H new ATOM 0 HZ3 LYS A 20 10.902 -5.730 2.466 1.00 4.43 H new ATOM 295 N THR A 21 4.763 -7.501 0.983 1.00 44.35 N ATOM 296 CA THR A 21 3.415 -7.906 0.780 1.00 12.21 C ATOM 297 C THR A 21 2.686 -7.702 2.089 1.00 41.23 C ATOM 298 O THR A 21 3.166 -8.139 3.137 1.00 24.30 O ATOM 299 CB THR A 21 3.309 -9.391 0.310 1.00 3.13 C ATOM 300 OG1 THR A 21 3.644 -10.306 1.364 1.00 32.13 O ATOM 301 CG2 THR A 21 4.264 -9.647 -0.847 1.00 51.25 C ATOM 0 H THR A 21 5.340 -8.151 1.517 1.00 44.35 H new ATOM 0 HA THR A 21 2.968 -7.309 -0.015 1.00 12.21 H new ATOM 0 HB THR A 21 2.275 -9.553 0.004 1.00 3.13 H new ATOM 0 HG1 THR A 21 4.170 -11.047 0.999 1.00 32.13 H new ATOM 0 HG21 THR A 21 4.180 -10.686 -1.165 1.00 51.25 H new ATOM 0 HG22 THR A 21 4.011 -8.991 -1.680 1.00 51.25 H new ATOM 0 HG23 THR A 21 5.286 -9.447 -0.526 1.00 51.25 H new ATOM 309 N LYS A 22 1.575 -7.038 2.060 1.00 33.44 N ATOM 310 CA LYS A 22 0.896 -6.724 3.296 1.00 45.13 C ATOM 311 C LYS A 22 -0.574 -7.102 3.151 1.00 31.33 C ATOM 312 O LYS A 22 -1.168 -6.855 2.111 1.00 33.11 O ATOM 313 CB LYS A 22 1.108 -5.228 3.549 1.00 24.22 C ATOM 314 CG LYS A 22 0.863 -4.740 4.955 1.00 73.31 C ATOM 315 CD LYS A 22 1.293 -3.283 5.057 1.00 13.41 C ATOM 316 CE LYS A 22 1.201 -2.739 6.471 1.00 11.31 C ATOM 317 NZ LYS A 22 1.628 -1.323 6.530 1.00 73.22 N ATOM 0 H LYS A 22 1.117 -6.703 1.213 1.00 33.44 H new ATOM 0 HA LYS A 22 1.283 -7.280 4.150 1.00 45.13 H new ATOM 0 HB2 LYS A 22 2.133 -4.978 3.275 1.00 24.22 H new ATOM 0 HB3 LYS A 22 0.454 -4.673 2.877 1.00 24.22 H new ATOM 0 HG2 LYS A 22 -0.192 -4.840 5.209 1.00 73.31 H new ATOM 0 HG3 LYS A 22 1.421 -5.348 5.667 1.00 73.31 H new ATOM 0 HD2 LYS A 22 2.319 -3.186 4.702 1.00 13.41 H new ATOM 0 HD3 LYS A 22 0.669 -2.678 4.399 1.00 13.41 H new ATOM 0 HE2 LYS A 22 0.176 -2.828 6.831 1.00 11.31 H new ATOM 0 HE3 LYS A 22 1.825 -3.337 7.135 1.00 11.31 H new ATOM 0 HZ1 LYS A 22 1.002 -0.798 7.174 1.00 73.22 H new ATOM 0 HZ2 LYS A 22 2.606 -1.270 6.878 1.00 73.22 H new ATOM 0 HZ3 LYS A 22 1.576 -0.905 5.579 1.00 73.22 H new ATOM 331 N GLU A 23 -1.159 -7.685 4.175 1.00 11.54 N ATOM 332 CA GLU A 23 -2.494 -8.256 4.053 1.00 32.40 C ATOM 333 C GLU A 23 -3.400 -7.839 5.191 1.00 14.53 C ATOM 334 O GLU A 23 -3.019 -7.906 6.358 1.00 72.25 O ATOM 335 CB GLU A 23 -2.356 -9.796 3.896 1.00 62.42 C ATOM 336 CG GLU A 23 -3.629 -10.625 3.826 1.00 43.23 C ATOM 337 CD GLU A 23 -4.067 -11.152 5.184 1.00 22.11 C ATOM 338 OE1 GLU A 23 -3.521 -12.173 5.634 1.00 35.10 O ATOM 339 OE2 GLU A 23 -4.974 -10.578 5.799 1.00 42.44 O ATOM 0 H GLU A 23 -0.738 -7.779 5.099 1.00 11.54 H new ATOM 0 HA GLU A 23 -2.986 -7.864 3.163 1.00 32.40 H new ATOM 0 HB2 GLU A 23 -1.782 -9.989 2.990 1.00 62.42 H new ATOM 0 HB3 GLU A 23 -1.763 -10.165 4.733 1.00 62.42 H new ATOM 0 HG2 GLU A 23 -4.429 -10.018 3.402 1.00 43.23 H new ATOM 0 HG3 GLU A 23 -3.473 -11.465 3.149 1.00 43.23 H new ATOM 346 N PHE A 24 -4.589 -7.390 4.830 1.00 13.40 N ATOM 347 CA PHE A 24 -5.594 -6.929 5.772 1.00 72.20 C ATOM 348 C PHE A 24 -6.972 -7.292 5.292 1.00 65.01 C ATOM 349 O PHE A 24 -7.178 -7.598 4.102 1.00 63.43 O ATOM 350 CB PHE A 24 -5.559 -5.413 5.982 1.00 40.43 C ATOM 351 CG PHE A 24 -4.323 -4.876 6.608 1.00 74.11 C ATOM 352 CD1 PHE A 24 -4.131 -4.976 7.972 1.00 13.44 C ATOM 353 CD2 PHE A 24 -3.365 -4.254 5.842 1.00 43.12 C ATOM 354 CE1 PHE A 24 -3.001 -4.467 8.561 1.00 14.51 C ATOM 355 CE2 PHE A 24 -2.232 -3.742 6.421 1.00 13.21 C ATOM 356 CZ PHE A 24 -2.048 -3.849 7.785 1.00 35.12 C ATOM 0 H PHE A 24 -4.889 -7.334 3.857 1.00 13.40 H new ATOM 0 HA PHE A 24 -5.364 -7.420 6.718 1.00 72.20 H new ATOM 0 HB2 PHE A 24 -5.695 -4.928 5.015 1.00 40.43 H new ATOM 0 HB3 PHE A 24 -6.410 -5.131 6.602 1.00 40.43 H new ATOM 0 HD1 PHE A 24 -4.879 -5.460 8.582 1.00 13.44 H new ATOM 0 HD2 PHE A 24 -3.506 -4.168 4.775 1.00 43.12 H new ATOM 0 HE1 PHE A 24 -2.861 -4.551 9.629 1.00 14.51 H new ATOM 0 HE2 PHE A 24 -1.485 -3.256 5.811 1.00 13.21 H new ATOM 0 HZ PHE A 24 -1.156 -3.448 8.243 1.00 35.12 H new ATOM 366 N LEU A 25 -7.899 -7.299 6.201 1.00 10.41 N ATOM 367 CA LEU A 25 -9.279 -7.483 5.866 1.00 63.33 C ATOM 368 C LEU A 25 -9.824 -6.148 5.387 1.00 23.42 C ATOM 369 O LEU A 25 -9.705 -5.140 6.091 1.00 41.12 O ATOM 370 CB LEU A 25 -10.061 -7.914 7.102 1.00 1.21 C ATOM 371 CG LEU A 25 -9.624 -9.209 7.774 1.00 15.25 C ATOM 372 CD1 LEU A 25 -10.440 -9.438 9.032 1.00 64.22 C ATOM 373 CD2 LEU A 25 -9.774 -10.383 6.821 1.00 5.20 C ATOM 0 H LEU A 25 -7.720 -7.177 7.198 1.00 10.41 H new ATOM 0 HA LEU A 25 -9.376 -8.248 5.096 1.00 63.33 H new ATOM 0 HB2 LEU A 25 -10.002 -7.112 7.838 1.00 1.21 H new ATOM 0 HB3 LEU A 25 -11.110 -8.013 6.823 1.00 1.21 H new ATOM 0 HG LEU A 25 -8.572 -9.126 8.046 1.00 15.25 H new ATOM 0 HD11 LEU A 25 -10.122 -10.366 9.508 1.00 64.22 H new ATOM 0 HD12 LEU A 25 -10.288 -8.607 9.720 1.00 64.22 H new ATOM 0 HD13 LEU A 25 -11.497 -9.506 8.773 1.00 64.22 H new ATOM 0 HD21 LEU A 25 -9.457 -11.299 7.319 1.00 5.20 H new ATOM 0 HD22 LEU A 25 -10.817 -10.476 6.520 1.00 5.20 H new ATOM 0 HD23 LEU A 25 -9.155 -10.217 5.939 1.00 5.20 H new ATOM 385 N PHE A 26 -10.403 -6.128 4.229 1.00 63.42 N ATOM 386 CA PHE A 26 -10.985 -4.922 3.695 1.00 10.23 C ATOM 387 C PHE A 26 -12.399 -5.185 3.264 1.00 13.41 C ATOM 388 O PHE A 26 -12.826 -6.344 3.160 1.00 63.01 O ATOM 389 CB PHE A 26 -10.154 -4.315 2.540 1.00 63.15 C ATOM 390 CG PHE A 26 -8.832 -3.698 2.964 1.00 43.41 C ATOM 391 CD1 PHE A 26 -8.799 -2.422 3.508 1.00 42.01 C ATOM 392 CD2 PHE A 26 -7.633 -4.379 2.805 1.00 34.54 C ATOM 393 CE1 PHE A 26 -7.601 -1.839 3.884 1.00 55.14 C ATOM 394 CE2 PHE A 26 -6.439 -3.804 3.178 1.00 33.33 C ATOM 395 CZ PHE A 26 -6.420 -2.536 3.720 1.00 52.41 C ATOM 0 H PHE A 26 -10.490 -6.943 3.621 1.00 63.42 H new ATOM 0 HA PHE A 26 -10.984 -4.178 4.492 1.00 10.23 H new ATOM 0 HB2 PHE A 26 -9.956 -5.095 1.804 1.00 63.15 H new ATOM 0 HB3 PHE A 26 -10.752 -3.552 2.042 1.00 63.15 H new ATOM 0 HD1 PHE A 26 -9.721 -1.876 3.640 1.00 42.01 H new ATOM 0 HD2 PHE A 26 -7.637 -5.373 2.383 1.00 34.54 H new ATOM 0 HE1 PHE A 26 -7.590 -0.844 4.304 1.00 55.14 H new ATOM 0 HE2 PHE A 26 -5.515 -4.347 3.046 1.00 33.33 H new ATOM 0 HZ PHE A 26 -5.483 -2.089 4.016 1.00 52.41 H new ATOM 405 N SER A 27 -13.134 -4.152 3.047 1.00 40.42 N ATOM 406 CA SER A 27 -14.478 -4.303 2.635 1.00 53.34 C ATOM 407 C SER A 27 -14.494 -4.278 1.107 1.00 32.10 C ATOM 408 O SER A 27 -13.720 -3.544 0.492 1.00 60.23 O ATOM 409 CB SER A 27 -15.327 -3.169 3.220 1.00 52.22 C ATOM 410 OG SER A 27 -15.179 -3.109 4.638 1.00 42.20 O ATOM 0 H SER A 27 -12.821 -3.187 3.150 1.00 40.42 H new ATOM 0 HA SER A 27 -14.899 -5.243 2.991 1.00 53.34 H new ATOM 0 HB2 SER A 27 -15.028 -2.219 2.778 1.00 52.22 H new ATOM 0 HB3 SER A 27 -16.375 -3.324 2.965 1.00 52.22 H new ATOM 0 HG SER A 27 -15.727 -2.378 4.993 1.00 42.20 H new ATOM 416 N PRO A 28 -15.350 -5.082 0.462 1.00 51.15 N ATOM 417 CA PRO A 28 -15.421 -5.156 -1.012 1.00 41.42 C ATOM 418 C PRO A 28 -15.821 -3.816 -1.667 1.00 12.11 C ATOM 419 O PRO A 28 -15.720 -3.644 -2.893 1.00 54.44 O ATOM 420 CB PRO A 28 -16.474 -6.246 -1.265 1.00 2.04 C ATOM 421 CG PRO A 28 -17.264 -6.313 -0.002 1.00 55.33 C ATOM 422 CD PRO A 28 -16.299 -6.011 1.099 1.00 11.25 C ATOM 0 HA PRO A 28 -14.451 -5.382 -1.455 1.00 41.42 H new ATOM 0 HB2 PRO A 28 -17.108 -5.994 -2.115 1.00 2.04 H new ATOM 0 HB3 PRO A 28 -16.005 -7.204 -1.490 1.00 2.04 H new ATOM 0 HG2 PRO A 28 -18.082 -5.592 -0.014 1.00 55.33 H new ATOM 0 HG3 PRO A 28 -17.710 -7.299 0.128 1.00 55.33 H new ATOM 0 HD2 PRO A 28 -16.795 -5.556 1.957 1.00 11.25 H new ATOM 0 HD3 PRO A 28 -15.802 -6.912 1.459 1.00 11.25 H new ATOM 430 N ASN A 29 -16.261 -2.892 -0.835 1.00 22.43 N ATOM 431 CA ASN A 29 -16.673 -1.550 -1.245 1.00 12.52 C ATOM 432 C ASN A 29 -15.447 -0.613 -1.379 1.00 23.10 C ATOM 433 O ASN A 29 -15.517 0.444 -2.022 1.00 2.50 O ATOM 434 CB ASN A 29 -17.677 -1.002 -0.200 1.00 4.21 C ATOM 435 CG ASN A 29 -18.184 0.407 -0.480 1.00 51.54 C ATOM 436 OD1 ASN A 29 -19.175 0.591 -1.182 1.00 64.33 O ATOM 437 ND2 ASN A 29 -17.546 1.397 0.104 1.00 32.41 N ATOM 0 H ASN A 29 -16.346 -3.050 0.169 1.00 22.43 H new ATOM 0 HA ASN A 29 -17.152 -1.596 -2.223 1.00 12.52 H new ATOM 0 HB2 ASN A 29 -18.531 -1.677 -0.149 1.00 4.21 H new ATOM 0 HB3 ASN A 29 -17.202 -1.014 0.781 1.00 4.21 H new ATOM 0 HD21 ASN A 29 -17.871 2.356 -0.019 1.00 32.41 H new ATOM 0 HD22 ASN A 29 -16.726 1.206 0.680 1.00 32.41 H new ATOM 444 N ASP A 30 -14.326 -1.017 -0.781 1.00 11.44 N ATOM 445 CA ASP A 30 -13.088 -0.217 -0.808 1.00 50.24 C ATOM 446 C ASP A 30 -12.451 -0.168 -2.180 1.00 41.41 C ATOM 447 O ASP A 30 -12.658 -1.054 -3.016 1.00 32.24 O ATOM 448 CB ASP A 30 -12.064 -0.652 0.263 1.00 53.11 C ATOM 449 CG ASP A 30 -12.480 -0.290 1.665 1.00 2.33 C ATOM 450 OD1 ASP A 30 -12.143 0.825 2.132 1.00 40.30 O ATOM 451 OD2 ASP A 30 -13.165 -1.092 2.328 1.00 55.45 O ATOM 0 H ASP A 30 -14.244 -1.895 -0.269 1.00 11.44 H new ATOM 0 HA ASP A 30 -13.401 0.797 -0.559 1.00 50.24 H new ATOM 0 HB2 ASP A 30 -11.920 -1.731 0.201 1.00 53.11 H new ATOM 0 HB3 ASP A 30 -11.102 -0.189 0.046 1.00 53.11 H new ATOM 456 N SER A 31 -11.710 0.876 -2.413 1.00 12.12 N ATOM 457 CA SER A 31 -11.051 1.099 -3.665 1.00 41.21 C ATOM 458 C SER A 31 -9.602 0.601 -3.581 1.00 63.21 C ATOM 459 O SER A 31 -8.843 1.054 -2.739 1.00 73.31 O ATOM 460 CB SER A 31 -11.082 2.587 -3.954 1.00 33.21 C ATOM 461 OG SER A 31 -12.412 3.076 -3.873 1.00 45.03 O ATOM 0 H SER A 31 -11.544 1.610 -1.724 1.00 12.12 H new ATOM 0 HA SER A 31 -11.554 0.556 -4.465 1.00 41.21 H new ATOM 0 HB2 SER A 31 -10.449 3.116 -3.242 1.00 33.21 H new ATOM 0 HB3 SER A 31 -10.676 2.780 -4.947 1.00 33.21 H new ATOM 0 HG SER A 31 -12.419 4.038 -4.060 1.00 45.03 H new ATOM 467 N ALA A 32 -9.238 -0.309 -4.470 1.00 63.55 N ATOM 468 CA ALA A 32 -7.907 -0.961 -4.490 1.00 62.42 C ATOM 469 C ALA A 32 -6.725 0.031 -4.423 1.00 5.40 C ATOM 470 O ALA A 32 -5.843 -0.120 -3.582 1.00 34.31 O ATOM 471 CB ALA A 32 -7.798 -1.786 -5.742 1.00 52.04 C ATOM 0 H ALA A 32 -9.856 -0.631 -5.215 1.00 63.55 H new ATOM 0 HA ALA A 32 -7.837 -1.577 -3.594 1.00 62.42 H new ATOM 0 HB1 ALA A 32 -6.824 -2.273 -5.773 1.00 52.04 H new ATOM 0 HB2 ALA A 32 -8.583 -2.543 -5.749 1.00 52.04 H new ATOM 0 HB3 ALA A 32 -7.909 -1.141 -6.614 1.00 52.04 H new ATOM 477 N SER A 33 -6.708 1.037 -5.296 1.00 0.35 N ATOM 478 CA SER A 33 -5.585 1.982 -5.333 1.00 60.04 C ATOM 479 C SER A 33 -5.577 2.878 -4.069 1.00 52.34 C ATOM 480 O SER A 33 -4.527 3.338 -3.618 1.00 35.22 O ATOM 481 CB SER A 33 -5.652 2.823 -6.600 1.00 25.40 C ATOM 482 OG SER A 33 -5.938 2.009 -7.721 1.00 40.01 O ATOM 0 H SER A 33 -7.444 1.220 -5.978 1.00 0.35 H new ATOM 0 HA SER A 33 -4.653 1.417 -5.343 1.00 60.04 H new ATOM 0 HB2 SER A 33 -6.420 3.589 -6.494 1.00 25.40 H new ATOM 0 HB3 SER A 33 -4.704 3.340 -6.751 1.00 25.40 H new ATOM 0 HG SER A 33 -6.164 2.576 -8.488 1.00 40.01 H new ATOM 488 N ASP A 34 -6.763 3.096 -3.503 1.00 34.33 N ATOM 489 CA ASP A 34 -6.906 3.846 -2.247 1.00 52.31 C ATOM 490 C ASP A 34 -6.285 3.030 -1.134 1.00 73.51 C ATOM 491 O ASP A 34 -5.494 3.531 -0.329 1.00 23.22 O ATOM 492 CB ASP A 34 -8.393 4.087 -1.948 1.00 43.45 C ATOM 493 CG ASP A 34 -8.659 4.746 -0.602 1.00 34.03 C ATOM 494 OD1 ASP A 34 -8.686 5.997 -0.523 1.00 2.11 O ATOM 495 OD2 ASP A 34 -8.901 4.013 0.390 1.00 15.31 O ATOM 0 H ASP A 34 -7.645 2.764 -3.893 1.00 34.33 H new ATOM 0 HA ASP A 34 -6.408 4.812 -2.329 1.00 52.31 H new ATOM 0 HB2 ASP A 34 -8.814 4.712 -2.736 1.00 43.45 H new ATOM 0 HB3 ASP A 34 -8.919 3.133 -1.983 1.00 43.45 H new ATOM 500 N ILE A 35 -6.631 1.758 -1.129 1.00 43.23 N ATOM 501 CA ILE A 35 -6.102 0.808 -0.185 1.00 10.01 C ATOM 502 C ILE A 35 -4.585 0.722 -0.315 1.00 1.41 C ATOM 503 O ILE A 35 -3.897 0.692 0.672 1.00 44.34 O ATOM 504 CB ILE A 35 -6.692 -0.594 -0.410 1.00 51.23 C ATOM 505 CG1 ILE A 35 -8.201 -0.598 -0.251 1.00 52.34 C ATOM 506 CG2 ILE A 35 -6.083 -1.570 0.550 1.00 13.21 C ATOM 507 CD1 ILE A 35 -8.808 -1.953 -0.507 1.00 71.45 C ATOM 0 H ILE A 35 -7.295 1.356 -1.790 1.00 43.23 H new ATOM 0 HA ILE A 35 -6.376 1.154 0.812 1.00 10.01 H new ATOM 0 HB ILE A 35 -6.458 -0.890 -1.433 1.00 51.23 H new ATOM 0 HG12 ILE A 35 -8.457 -0.274 0.758 1.00 52.34 H new ATOM 0 HG13 ILE A 35 -8.637 0.127 -0.939 1.00 52.34 H new ATOM 0 HG21 ILE A 35 -6.508 -2.559 0.382 1.00 13.21 H new ATOM 0 HG22 ILE A 35 -5.005 -1.607 0.396 1.00 13.21 H new ATOM 0 HG23 ILE A 35 -6.293 -1.254 1.572 1.00 13.21 H new ATOM 0 HD11 ILE A 35 -9.889 -1.897 -0.379 1.00 71.45 H new ATOM 0 HD12 ILE A 35 -8.579 -2.268 -1.525 1.00 71.45 H new ATOM 0 HD13 ILE A 35 -8.396 -2.675 0.198 1.00 71.45 H new ATOM 519 N ALA A 36 -4.095 0.681 -1.549 1.00 50.24 N ATOM 520 CA ALA A 36 -2.662 0.640 -1.859 1.00 31.05 C ATOM 521 C ALA A 36 -1.895 1.727 -1.126 1.00 11.42 C ATOM 522 O ALA A 36 -0.873 1.473 -0.489 1.00 74.23 O ATOM 523 CB ALA A 36 -2.468 0.846 -3.344 1.00 31.11 C ATOM 0 H ALA A 36 -4.688 0.675 -2.379 1.00 50.24 H new ATOM 0 HA ALA A 36 -2.283 -0.331 -1.541 1.00 31.05 H new ATOM 0 HB1 ALA A 36 -1.404 0.816 -3.580 1.00 31.11 H new ATOM 0 HB2 ALA A 36 -2.983 0.056 -3.891 1.00 31.11 H new ATOM 0 HB3 ALA A 36 -2.877 1.814 -3.634 1.00 31.11 H new ATOM 529 N LYS A 37 -2.405 2.921 -1.208 1.00 21.50 N ATOM 530 CA LYS A 37 -1.773 4.063 -0.613 1.00 42.45 C ATOM 531 C LYS A 37 -1.939 3.976 0.932 1.00 13.45 C ATOM 532 O LYS A 37 -1.063 4.370 1.689 1.00 73.51 O ATOM 533 CB LYS A 37 -2.430 5.323 -1.208 1.00 13.35 C ATOM 534 CG LYS A 37 -1.492 6.498 -1.484 1.00 22.42 C ATOM 535 CD LYS A 37 -0.897 7.120 -0.243 1.00 54.10 C ATOM 536 CE LYS A 37 0.070 8.229 -0.626 1.00 61.22 C ATOM 537 NZ LYS A 37 -0.583 9.273 -1.456 1.00 43.55 N ATOM 0 H LYS A 37 -3.277 3.132 -1.693 1.00 21.50 H new ATOM 0 HA LYS A 37 -0.704 4.100 -0.823 1.00 42.45 H new ATOM 0 HB2 LYS A 37 -2.920 5.047 -2.142 1.00 13.35 H new ATOM 0 HB3 LYS A 37 -3.211 5.659 -0.525 1.00 13.35 H new ATOM 0 HG2 LYS A 37 -0.683 6.158 -2.130 1.00 22.42 H new ATOM 0 HG3 LYS A 37 -2.039 7.264 -2.034 1.00 22.42 H new ATOM 0 HD2 LYS A 37 -1.690 7.521 0.388 1.00 54.10 H new ATOM 0 HD3 LYS A 37 -0.378 6.360 0.341 1.00 54.10 H new ATOM 0 HE2 LYS A 37 0.475 8.685 0.277 1.00 61.22 H new ATOM 0 HE3 LYS A 37 0.911 7.804 -1.174 1.00 61.22 H new ATOM 0 HZ1 LYS A 37 0.145 9.866 -1.904 1.00 43.55 H new ATOM 0 HZ2 LYS A 37 -1.162 8.820 -2.192 1.00 43.55 H new ATOM 0 HZ3 LYS A 37 -1.190 9.866 -0.854 1.00 43.55 H new ATOM 551 N HIS A 38 -3.061 3.394 1.358 1.00 42.32 N ATOM 552 CA HIS A 38 -3.395 3.211 2.779 1.00 13.01 C ATOM 553 C HIS A 38 -2.463 2.154 3.430 1.00 43.14 C ATOM 554 O HIS A 38 -1.864 2.407 4.467 1.00 41.33 O ATOM 555 CB HIS A 38 -4.885 2.785 2.906 1.00 3.55 C ATOM 556 CG HIS A 38 -5.426 2.680 4.314 1.00 32.41 C ATOM 557 ND1 HIS A 38 -6.372 3.544 4.820 1.00 53.24 N ATOM 558 CD2 HIS A 38 -5.177 1.787 5.304 1.00 4.30 C ATOM 559 CE1 HIS A 38 -6.673 3.194 6.058 1.00 75.03 C ATOM 560 NE2 HIS A 38 -5.965 2.129 6.373 1.00 40.14 N ATOM 0 H HIS A 38 -3.773 3.032 0.724 1.00 42.32 H new ATOM 0 HA HIS A 38 -3.247 4.153 3.306 1.00 13.01 H new ATOM 0 HB2 HIS A 38 -5.495 3.501 2.356 1.00 3.55 H new ATOM 0 HB3 HIS A 38 -5.009 1.819 2.417 1.00 3.55 H new ATOM 0 HD2 HIS A 38 -4.485 0.959 5.259 1.00 4.30 H new ATOM 0 HE1 HIS A 38 -7.380 3.696 6.702 1.00 75.03 H new ATOM 0 HE2 HIS A 38 -5.998 1.638 7.267 1.00 40.14 H new ATOM 569 N VAL A 39 -2.354 0.977 2.798 1.00 54.13 N ATOM 570 CA VAL A 39 -1.518 -0.121 3.290 1.00 52.53 C ATOM 571 C VAL A 39 -0.056 0.248 3.338 1.00 23.23 C ATOM 572 O VAL A 39 0.680 -0.242 4.192 1.00 51.41 O ATOM 573 CB VAL A 39 -1.711 -1.424 2.497 1.00 44.33 C ATOM 574 CG1 VAL A 39 -3.119 -1.953 2.716 1.00 31.03 C ATOM 575 CG2 VAL A 39 -1.458 -1.194 1.040 1.00 24.53 C ATOM 0 H VAL A 39 -2.845 0.762 1.930 1.00 54.13 H new ATOM 0 HA VAL A 39 -1.858 -0.303 4.310 1.00 52.53 H new ATOM 0 HB VAL A 39 -0.995 -2.165 2.853 1.00 44.33 H new ATOM 0 HG11 VAL A 39 -3.252 -2.876 2.153 1.00 31.03 H new ATOM 0 HG12 VAL A 39 -3.273 -2.150 3.777 1.00 31.03 H new ATOM 0 HG13 VAL A 39 -3.843 -1.213 2.376 1.00 31.03 H new ATOM 0 HG21 VAL A 39 -1.599 -2.127 0.494 1.00 24.53 H new ATOM 0 HG22 VAL A 39 -2.154 -0.445 0.664 1.00 24.53 H new ATOM 0 HG23 VAL A 39 -0.436 -0.843 0.899 1.00 24.53 H new ATOM 585 N TYR A 40 0.363 1.107 2.403 1.00 55.53 N ATOM 586 CA TYR A 40 1.738 1.581 2.341 1.00 61.24 C ATOM 587 C TYR A 40 2.131 2.226 3.672 1.00 22.15 C ATOM 588 O TYR A 40 3.161 1.860 4.255 1.00 12.42 O ATOM 589 CB TYR A 40 1.881 2.590 1.187 1.00 41.32 C ATOM 590 CG TYR A 40 3.277 3.136 0.988 1.00 75.53 C ATOM 591 CD1 TYR A 40 4.266 2.349 0.429 1.00 44.44 C ATOM 592 CD2 TYR A 40 3.601 4.443 1.343 1.00 63.22 C ATOM 593 CE1 TYR A 40 5.537 2.837 0.225 1.00 33.33 C ATOM 594 CE2 TYR A 40 4.876 4.939 1.143 1.00 4.11 C ATOM 595 CZ TYR A 40 5.839 4.126 0.582 1.00 0.43 C ATOM 596 OH TYR A 40 7.110 4.608 0.363 1.00 44.23 O ATOM 0 H TYR A 40 -0.242 1.488 1.675 1.00 55.53 H new ATOM 0 HA TYR A 40 2.405 0.739 2.158 1.00 61.24 H new ATOM 0 HB2 TYR A 40 1.559 2.111 0.263 1.00 41.32 H new ATOM 0 HB3 TYR A 40 1.203 3.424 1.367 1.00 41.32 H new ATOM 0 HD1 TYR A 40 4.037 1.332 0.147 1.00 44.44 H new ATOM 0 HD2 TYR A 40 2.845 5.078 1.781 1.00 63.22 H new ATOM 0 HE1 TYR A 40 6.295 2.206 -0.215 1.00 33.33 H new ATOM 0 HE2 TYR A 40 5.116 5.954 1.423 1.00 4.11 H new ATOM 0 HH TYR A 40 7.165 5.537 0.669 1.00 44.23 H new ATOM 606 N ASP A 41 1.272 3.145 4.155 1.00 70.14 N ATOM 607 CA ASP A 41 1.421 3.820 5.467 1.00 34.10 C ATOM 608 C ASP A 41 0.438 4.977 5.595 1.00 43.35 C ATOM 609 O ASP A 41 -0.598 4.866 6.256 1.00 50.04 O ATOM 610 CB ASP A 41 2.852 4.347 5.726 1.00 14.24 C ATOM 611 CG ASP A 41 2.982 5.039 7.073 1.00 71.20 C ATOM 612 OD1 ASP A 41 3.056 4.341 8.125 1.00 32.32 O ATOM 613 OD2 ASP A 41 3.042 6.277 7.110 1.00 71.22 O ATOM 0 H ASP A 41 0.444 3.446 3.641 1.00 70.14 H new ATOM 0 HA ASP A 41 1.209 3.057 6.216 1.00 34.10 H new ATOM 0 HB2 ASP A 41 3.556 3.516 5.678 1.00 14.24 H new ATOM 0 HB3 ASP A 41 3.128 5.044 4.935 1.00 14.24 H new ATOM 618 N ASN A 42 0.750 6.064 4.931 1.00 71.32 N ATOM 619 CA ASN A 42 -0.041 7.280 5.003 1.00 75.41 C ATOM 620 C ASN A 42 -1.257 7.169 4.106 1.00 2.35 C ATOM 621 O ASN A 42 -1.122 7.074 2.894 1.00 73.15 O ATOM 622 CB ASN A 42 0.818 8.480 4.575 1.00 40.43 C ATOM 623 CG ASN A 42 0.110 9.832 4.672 1.00 30.43 C ATOM 624 OD1 ASN A 42 -0.738 10.009 5.660 1.00 73.44 O flip ATOM 625 ND2 ASN A 42 0.376 10.734 3.878 1.00 52.24 N flip ATOM 0 H ASN A 42 1.564 6.135 4.320 1.00 71.32 H new ATOM 0 HA ASN A 42 -0.377 7.425 6.030 1.00 75.41 H new ATOM 0 HB2 ASN A 42 1.715 8.508 5.194 1.00 40.43 H new ATOM 0 HB3 ASN A 42 1.145 8.328 3.546 1.00 40.43 H new ATOM 0 HD21 ASN A 42 1.038 10.568 3.120 1.00 52.24 H new ATOM 0 HD22 ASN A 42 -0.066 11.648 3.978 1.00 52.24 H new ATOM 632 N TRP A 43 -2.437 7.164 4.714 1.00 32.11 N ATOM 633 CA TRP A 43 -3.684 7.050 3.976 1.00 55.13 C ATOM 634 C TRP A 43 -3.863 8.200 2.980 1.00 53.03 C ATOM 635 O TRP A 43 -3.500 9.352 3.264 1.00 1.33 O ATOM 636 CB TRP A 43 -4.906 6.911 4.919 1.00 63.01 C ATOM 637 CG TRP A 43 -5.079 8.029 5.901 1.00 74.41 C ATOM 638 CD1 TRP A 43 -4.439 8.174 7.095 1.00 43.22 C ATOM 639 CD2 TRP A 43 -5.967 9.152 5.780 1.00 41.31 C ATOM 640 NE1 TRP A 43 -4.863 9.314 7.717 1.00 34.30 N ATOM 641 CE2 TRP A 43 -5.800 9.935 6.931 1.00 23.02 C ATOM 642 CE3 TRP A 43 -6.879 9.570 4.806 1.00 60.42 C ATOM 643 CZ2 TRP A 43 -6.512 11.116 7.141 1.00 54.32 C ATOM 644 CZ3 TRP A 43 -7.585 10.740 5.014 1.00 53.44 C ATOM 645 CH2 TRP A 43 -7.397 11.499 6.173 1.00 21.41 C ATOM 0 H TRP A 43 -2.554 7.238 5.725 1.00 32.11 H new ATOM 0 HA TRP A 43 -3.625 6.129 3.396 1.00 55.13 H new ATOM 0 HB2 TRP A 43 -5.808 6.838 4.312 1.00 63.01 H new ATOM 0 HB3 TRP A 43 -4.816 5.975 5.470 1.00 63.01 H new ATOM 0 HD1 TRP A 43 -3.705 7.489 7.491 1.00 43.22 H new ATOM 0 HE1 TRP A 43 -4.535 9.650 8.622 1.00 34.30 H new ATOM 0 HE3 TRP A 43 -7.029 8.989 3.908 1.00 60.42 H new ATOM 0 HZ2 TRP A 43 -6.369 11.705 8.035 1.00 54.32 H new ATOM 0 HZ3 TRP A 43 -8.293 11.073 4.270 1.00 53.44 H new ATOM 0 HH2 TRP A 43 -7.964 12.408 6.306 1.00 21.41 H new ATOM 656 N PRO A 44 -4.402 7.892 1.795 1.00 35.42 N ATOM 657 CA PRO A 44 -4.588 8.870 0.741 1.00 22.24 C ATOM 658 C PRO A 44 -5.586 9.958 1.105 1.00 51.35 C ATOM 659 O PRO A 44 -6.652 9.674 1.689 1.00 2.51 O ATOM 660 CB PRO A 44 -5.088 8.053 -0.455 1.00 45.43 C ATOM 661 CG PRO A 44 -5.612 6.790 0.124 1.00 60.12 C ATOM 662 CD PRO A 44 -4.865 6.553 1.400 1.00 11.24 C ATOM 0 HA PRO A 44 -3.660 9.405 0.539 1.00 22.24 H new ATOM 0 HB2 PRO A 44 -5.866 8.588 -0.999 1.00 45.43 H new ATOM 0 HB3 PRO A 44 -4.282 7.857 -1.162 1.00 45.43 H new ATOM 0 HG2 PRO A 44 -6.683 6.867 0.312 1.00 60.12 H new ATOM 0 HG3 PRO A 44 -5.468 5.960 -0.567 1.00 60.12 H new ATOM 0 HD2 PRO A 44 -5.507 6.112 2.162 1.00 11.24 H new ATOM 0 HD3 PRO A 44 -4.029 5.869 1.252 1.00 11.24 H new ATOM 670 N MET A 45 -5.213 11.193 0.747 1.00 31.51 N ATOM 671 CA MET A 45 -5.985 12.432 0.945 1.00 52.21 C ATOM 672 C MET A 45 -5.717 13.054 2.325 1.00 35.31 C ATOM 673 O MET A 45 -6.380 14.022 2.740 1.00 42.04 O ATOM 674 CB MET A 45 -7.496 12.268 0.608 1.00 70.43 C ATOM 675 CG MET A 45 -8.293 13.575 0.570 1.00 43.11 C ATOM 676 SD MET A 45 -10.036 13.338 0.143 1.00 0.32 S ATOM 677 CE MET A 45 -10.580 12.310 1.512 1.00 13.11 C ATOM 0 H MET A 45 -4.319 11.367 0.288 1.00 31.51 H new ATOM 0 HA MET A 45 -5.622 13.155 0.215 1.00 52.21 H new ATOM 0 HB2 MET A 45 -7.586 11.776 -0.360 1.00 70.43 H new ATOM 0 HB3 MET A 45 -7.948 11.605 1.346 1.00 70.43 H new ATOM 0 HG2 MET A 45 -8.227 14.061 1.543 1.00 43.11 H new ATOM 0 HG3 MET A 45 -7.837 14.250 -0.155 1.00 43.11 H new ATOM 0 HE1 MET A 45 -11.668 12.338 1.578 1.00 13.11 H new ATOM 0 HE2 MET A 45 -10.253 11.283 1.348 1.00 13.11 H new ATOM 0 HE3 MET A 45 -10.150 12.684 2.441 1.00 13.11 H new ATOM 687 N ASP A 46 -4.720 12.525 3.021 1.00 73.45 N ATOM 688 CA ASP A 46 -4.285 13.117 4.288 1.00 32.32 C ATOM 689 C ASP A 46 -3.520 14.416 3.994 1.00 51.11 C ATOM 690 O ASP A 46 -4.129 15.482 3.919 1.00 75.42 O ATOM 691 CB ASP A 46 -3.440 12.120 5.122 1.00 12.32 C ATOM 692 CG ASP A 46 -2.920 12.684 6.443 1.00 33.54 C ATOM 693 OD1 ASP A 46 -3.674 12.730 7.435 1.00 11.21 O ATOM 694 OD2 ASP A 46 -1.732 13.049 6.513 1.00 73.52 O ATOM 0 H ASP A 46 -4.199 11.695 2.737 1.00 73.45 H new ATOM 0 HA ASP A 46 -5.159 13.353 4.895 1.00 32.32 H new ATOM 0 HB2 ASP A 46 -4.044 11.237 5.331 1.00 12.32 H new ATOM 0 HB3 ASP A 46 -2.591 11.791 4.522 1.00 12.32 H new ATOM 699 N TRP A 47 -2.214 14.307 3.755 1.00 60.01 N ATOM 700 CA TRP A 47 -1.350 15.429 3.360 1.00 14.25 C ATOM 701 C TRP A 47 0.068 14.899 3.360 1.00 22.22 C ATOM 702 O TRP A 47 0.275 13.767 3.791 1.00 30.33 O ATOM 703 CB TRP A 47 -1.485 16.649 4.321 1.00 73.34 C ATOM 704 CG TRP A 47 -0.867 17.909 3.786 1.00 64.42 C ATOM 705 CD1 TRP A 47 -1.030 18.410 2.537 1.00 34.31 C ATOM 706 CD2 TRP A 47 -0.037 18.840 4.483 1.00 3.23 C ATOM 707 NE1 TRP A 47 -0.330 19.567 2.389 1.00 33.23 N ATOM 708 CE2 TRP A 47 0.284 19.866 3.571 1.00 64.23 C ATOM 709 CE3 TRP A 47 0.476 18.909 5.776 1.00 33.54 C ATOM 710 CZ2 TRP A 47 1.089 20.940 3.911 1.00 42.33 C ATOM 711 CZ3 TRP A 47 1.274 19.984 6.112 1.00 32.13 C ATOM 712 CH2 TRP A 47 1.571 20.983 5.183 1.00 71.25 C ATOM 0 H TRP A 47 -1.713 13.422 3.831 1.00 60.01 H new ATOM 0 HA TRP A 47 -1.642 15.797 2.376 1.00 14.25 H new ATOM 0 HB2 TRP A 47 -2.542 16.829 4.520 1.00 73.34 H new ATOM 0 HB3 TRP A 47 -1.019 16.402 5.275 1.00 73.34 H new ATOM 0 HD1 TRP A 47 -1.633 17.954 1.766 1.00 34.31 H new ATOM 0 HE1 TRP A 47 -0.273 20.121 1.534 1.00 33.23 H new ATOM 0 HE3 TRP A 47 0.254 18.139 6.500 1.00 33.54 H new ATOM 0 HZ2 TRP A 47 1.325 21.713 3.195 1.00 42.33 H new ATOM 0 HZ3 TRP A 47 1.676 20.054 7.112 1.00 32.13 H new ATOM 0 HH2 TRP A 47 2.198 21.810 5.481 1.00 71.25 H new ATOM 723 N GLU A 48 1.041 15.680 2.850 1.00 41.30 N ATOM 724 CA GLU A 48 2.455 15.254 2.801 1.00 62.22 C ATOM 725 C GLU A 48 2.623 13.969 1.991 1.00 54.30 C ATOM 726 O GLU A 48 3.580 13.235 2.158 1.00 52.32 O ATOM 727 CB GLU A 48 3.020 15.083 4.222 1.00 51.20 C ATOM 728 CG GLU A 48 3.102 16.375 5.015 1.00 33.41 C ATOM 729 CD GLU A 48 4.091 17.356 4.424 1.00 23.31 C ATOM 730 OE1 GLU A 48 3.739 18.087 3.486 1.00 72.24 O ATOM 731 OE2 GLU A 48 5.240 17.410 4.909 1.00 12.13 O ATOM 0 H GLU A 48 0.874 16.610 2.466 1.00 41.30 H new ATOM 0 HA GLU A 48 3.021 16.037 2.297 1.00 62.22 H new ATOM 0 HB2 GLU A 48 2.397 14.374 4.767 1.00 51.20 H new ATOM 0 HB3 GLU A 48 4.016 14.646 4.155 1.00 51.20 H new ATOM 0 HG2 GLU A 48 2.116 16.837 5.053 1.00 33.41 H new ATOM 0 HG3 GLU A 48 3.389 16.149 6.042 1.00 33.41 H new ATOM 738 N GLU A 49 1.686 13.722 1.093 1.00 3.32 N ATOM 739 CA GLU A 49 1.747 12.564 0.211 1.00 74.20 C ATOM 740 C GLU A 49 2.833 12.813 -0.847 1.00 45.22 C ATOM 741 O GLU A 49 3.372 11.899 -1.446 1.00 3.14 O ATOM 742 CB GLU A 49 0.373 12.334 -0.402 1.00 43.33 C ATOM 743 CG GLU A 49 -0.719 12.129 0.656 1.00 63.53 C ATOM 744 CD GLU A 49 -2.090 11.900 0.072 1.00 34.51 C ATOM 745 OE1 GLU A 49 -2.416 10.748 -0.256 1.00 45.44 O ATOM 746 OE2 GLU A 49 -2.860 12.859 -0.062 1.00 2.42 O ATOM 0 H GLU A 49 0.866 14.312 0.953 1.00 3.32 H new ATOM 0 HA GLU A 49 2.014 11.659 0.757 1.00 74.20 H new ATOM 0 HB2 GLU A 49 0.111 13.187 -1.028 1.00 43.33 H new ATOM 0 HB3 GLU A 49 0.411 11.461 -1.053 1.00 43.33 H new ATOM 0 HG2 GLU A 49 -0.452 11.277 1.281 1.00 63.53 H new ATOM 0 HG3 GLU A 49 -0.752 13.003 1.306 1.00 63.53 H new ATOM 753 N GLU A 50 3.072 14.089 -1.031 1.00 73.43 N ATOM 754 CA GLU A 50 4.146 14.719 -1.767 1.00 60.54 C ATOM 755 C GLU A 50 3.977 16.205 -1.554 1.00 1.43 C ATOM 756 O GLU A 50 4.850 16.872 -1.004 1.00 33.52 O ATOM 757 CB GLU A 50 4.376 14.212 -3.264 1.00 15.01 C ATOM 758 CG GLU A 50 3.208 14.208 -4.279 1.00 34.13 C ATOM 759 CD GLU A 50 2.838 15.565 -4.857 1.00 24.41 C ATOM 760 OE1 GLU A 50 3.503 16.023 -5.828 1.00 73.03 O ATOM 761 OE2 GLU A 50 1.881 16.175 -4.371 1.00 3.41 O ATOM 0 H GLU A 50 2.451 14.789 -0.625 1.00 73.43 H new ATOM 0 HA GLU A 50 5.114 14.405 -1.376 1.00 60.54 H new ATOM 0 HB2 GLU A 50 5.172 14.822 -3.692 1.00 15.01 H new ATOM 0 HB3 GLU A 50 4.754 13.191 -3.204 1.00 15.01 H new ATOM 0 HG2 GLU A 50 3.466 13.541 -5.101 1.00 34.13 H new ATOM 0 HG3 GLU A 50 2.328 13.788 -3.792 1.00 34.13 H new ATOM 768 N GLN A 51 2.802 16.669 -1.899 1.00 5.11 N ATOM 769 CA GLN A 51 2.284 17.984 -1.560 1.00 3.03 C ATOM 770 C GLN A 51 0.784 17.748 -1.485 1.00 54.50 C ATOM 771 O GLN A 51 0.131 17.970 -0.462 1.00 41.52 O ATOM 772 CB GLN A 51 2.628 19.022 -2.662 1.00 60.30 C ATOM 773 CG GLN A 51 2.475 20.509 -2.261 1.00 10.43 C ATOM 774 CD GLN A 51 1.063 20.945 -1.896 1.00 34.52 C ATOM 775 OE1 GLN A 51 0.326 21.429 -2.867 1.00 70.30 O flip ATOM 776 NE2 GLN A 51 0.649 20.867 -0.737 1.00 72.10 N flip ATOM 0 H GLN A 51 2.144 16.118 -2.451 1.00 5.11 H new ATOM 0 HA GLN A 51 2.705 18.387 -0.639 1.00 3.03 H new ATOM 0 HB2 GLN A 51 3.657 18.856 -2.982 1.00 60.30 H new ATOM 0 HB3 GLN A 51 1.991 18.831 -3.525 1.00 60.30 H new ATOM 0 HG2 GLN A 51 3.129 20.708 -1.412 1.00 10.43 H new ATOM 0 HG3 GLN A 51 2.826 21.128 -3.086 1.00 10.43 H new ATOM 0 HE21 GLN A 51 1.249 20.485 -0.006 1.00 72.10 H new ATOM 0 HE22 GLN A 51 -0.293 21.184 -0.510 1.00 72.10 H new ATOM 785 N VAL A 52 0.272 17.207 -2.566 1.00 45.14 N ATOM 786 CA VAL A 52 -1.089 16.780 -2.657 1.00 50.33 C ATOM 787 C VAL A 52 -1.077 15.285 -2.946 1.00 64.11 C ATOM 788 O VAL A 52 -1.244 14.490 -2.046 1.00 74.54 O ATOM 789 CB VAL A 52 -1.896 17.529 -3.764 1.00 54.53 C ATOM 790 CG1 VAL A 52 -3.339 17.040 -3.807 1.00 3.11 C ATOM 791 CG2 VAL A 52 -1.860 19.035 -3.548 1.00 52.40 C ATOM 0 H VAL A 52 0.808 17.052 -3.420 1.00 45.14 H new ATOM 0 HA VAL A 52 -1.589 17.009 -1.716 1.00 50.33 H new ATOM 0 HB VAL A 52 -1.423 17.309 -4.721 1.00 54.53 H new ATOM 0 HG11 VAL A 52 -3.882 17.576 -4.586 1.00 3.11 H new ATOM 0 HG12 VAL A 52 -3.355 15.972 -4.023 1.00 3.11 H new ATOM 0 HG13 VAL A 52 -3.814 17.222 -2.843 1.00 3.11 H new ATOM 0 HG21 VAL A 52 -2.430 19.529 -4.334 1.00 52.40 H new ATOM 0 HG22 VAL A 52 -2.297 19.274 -2.578 1.00 52.40 H new ATOM 0 HG23 VAL A 52 -0.827 19.382 -3.576 1.00 52.40 H new ATOM 801 N SER A 53 -0.786 14.950 -4.199 1.00 34.42 N ATOM 802 CA SER A 53 -0.699 13.597 -4.769 1.00 41.53 C ATOM 803 C SER A 53 -0.560 13.737 -6.264 1.00 74.43 C ATOM 804 O SER A 53 -0.641 14.851 -6.792 1.00 12.34 O ATOM 805 CB SER A 53 -1.941 12.719 -4.479 1.00 42.31 C ATOM 806 OG SER A 53 -2.013 12.314 -3.127 1.00 0.52 O ATOM 0 H SER A 53 -0.589 15.665 -4.899 1.00 34.42 H new ATOM 0 HA SER A 53 0.155 13.102 -4.306 1.00 41.53 H new ATOM 0 HB2 SER A 53 -2.843 13.274 -4.737 1.00 42.31 H new ATOM 0 HB3 SER A 53 -1.916 11.837 -5.119 1.00 42.31 H new ATOM 0 HG SER A 53 -1.458 12.906 -2.578 1.00 0.52 H new ATOM 812 N SER A 54 -0.360 12.647 -6.933 1.00 3.21 N ATOM 813 CA SER A 54 -0.276 12.639 -8.354 1.00 50.40 C ATOM 814 C SER A 54 -1.362 11.691 -8.879 1.00 60.10 C ATOM 815 O SER A 54 -1.575 10.632 -8.310 1.00 12.55 O ATOM 816 CB SER A 54 1.107 12.167 -8.761 1.00 41.22 C ATOM 817 OG SER A 54 2.106 12.929 -8.106 1.00 35.14 O ATOM 0 H SER A 54 -0.250 11.729 -6.502 1.00 3.21 H new ATOM 0 HA SER A 54 -0.432 13.634 -8.772 1.00 50.40 H new ATOM 0 HB2 SER A 54 1.225 11.112 -8.513 1.00 41.22 H new ATOM 0 HB3 SER A 54 1.224 12.255 -9.841 1.00 41.22 H new ATOM 0 HG SER A 54 2.758 13.248 -8.764 1.00 35.14 H new ATOM 823 N PRO A 55 -2.092 12.062 -9.917 1.00 24.22 N ATOM 824 CA PRO A 55 -3.182 11.225 -10.416 1.00 33.12 C ATOM 825 C PRO A 55 -2.751 9.987 -11.227 1.00 70.31 C ATOM 826 O PRO A 55 -3.346 8.908 -11.092 1.00 42.40 O ATOM 827 CB PRO A 55 -3.971 12.156 -11.298 1.00 71.11 C ATOM 828 CG PRO A 55 -2.996 13.205 -11.743 1.00 42.24 C ATOM 829 CD PRO A 55 -1.981 13.340 -10.644 1.00 34.13 C ATOM 0 HA PRO A 55 -3.730 10.801 -9.574 1.00 33.12 H new ATOM 0 HB2 PRO A 55 -4.393 11.625 -12.151 1.00 71.11 H new ATOM 0 HB3 PRO A 55 -4.805 12.600 -10.754 1.00 71.11 H new ATOM 0 HG2 PRO A 55 -2.518 12.917 -12.679 1.00 42.24 H new ATOM 0 HG3 PRO A 55 -3.502 14.154 -11.922 1.00 42.24 H new ATOM 0 HD2 PRO A 55 -0.977 13.491 -11.041 1.00 34.13 H new ATOM 0 HD3 PRO A 55 -2.199 14.190 -9.998 1.00 34.13 H new ATOM 837 N ASN A 56 -1.710 10.116 -12.035 1.00 2.31 N ATOM 838 CA ASN A 56 -1.307 9.016 -12.934 1.00 22.10 C ATOM 839 C ASN A 56 -0.520 7.939 -12.227 1.00 60.24 C ATOM 840 O ASN A 56 -0.123 6.943 -12.838 1.00 21.51 O ATOM 841 CB ASN A 56 -0.545 9.520 -14.171 1.00 53.04 C ATOM 842 CG ASN A 56 -1.414 10.322 -15.124 1.00 14.32 C ATOM 843 OD1 ASN A 56 -2.029 9.760 -16.031 1.00 72.32 O ATOM 844 ND2 ASN A 56 -1.461 11.621 -14.948 1.00 53.05 N ATOM 0 H ASN A 56 -1.129 10.952 -12.096 1.00 2.31 H new ATOM 0 HA ASN A 56 -2.239 8.566 -13.276 1.00 22.10 H new ATOM 0 HB2 ASN A 56 0.293 10.137 -13.847 1.00 53.04 H new ATOM 0 HB3 ASN A 56 -0.125 8.667 -14.703 1.00 53.04 H new ATOM 0 HD21 ASN A 56 -2.021 12.201 -15.574 1.00 53.05 H new ATOM 0 HD22 ASN A 56 -0.938 12.052 -14.185 1.00 53.05 H new ATOM 851 N ILE A 57 -0.294 8.127 -10.954 1.00 20.33 N ATOM 852 CA ILE A 57 0.437 7.169 -10.167 1.00 33.22 C ATOM 853 C ILE A 57 -0.526 6.203 -9.491 1.00 34.15 C ATOM 854 O ILE A 57 -0.137 5.139 -9.034 1.00 35.40 O ATOM 855 CB ILE A 57 1.347 7.906 -9.122 1.00 32.34 C ATOM 856 CG1 ILE A 57 0.550 8.646 -8.007 1.00 54.25 C ATOM 857 CG2 ILE A 57 2.210 8.925 -9.850 1.00 63.31 C ATOM 858 CD1 ILE A 57 0.008 7.776 -6.867 1.00 0.25 C ATOM 0 H ILE A 57 -0.610 8.946 -10.434 1.00 20.33 H new ATOM 0 HA ILE A 57 1.088 6.588 -10.820 1.00 33.22 H new ATOM 0 HB ILE A 57 1.944 7.136 -8.633 1.00 32.34 H new ATOM 0 HG12 ILE A 57 1.195 9.411 -7.576 1.00 54.25 H new ATOM 0 HG13 ILE A 57 -0.290 9.162 -8.472 1.00 54.25 H new ATOM 0 HG21 ILE A 57 2.846 9.442 -9.132 1.00 63.31 H new ATOM 0 HG22 ILE A 57 2.833 8.415 -10.585 1.00 63.31 H new ATOM 0 HG23 ILE A 57 1.570 9.649 -10.356 1.00 63.31 H new ATOM 0 HD11 ILE A 57 -0.527 8.403 -6.154 1.00 0.25 H new ATOM 0 HD12 ILE A 57 -0.671 7.026 -7.273 1.00 0.25 H new ATOM 0 HD13 ILE A 57 0.837 7.279 -6.363 1.00 0.25 H new ATOM 870 N LEU A 58 -1.790 6.594 -9.446 1.00 75.12 N ATOM 871 CA LEU A 58 -2.815 5.829 -8.774 1.00 21.35 C ATOM 872 C LEU A 58 -3.277 4.710 -9.695 1.00 20.33 C ATOM 873 O LEU A 58 -4.143 4.918 -10.551 1.00 74.43 O ATOM 874 CB LEU A 58 -3.996 6.751 -8.430 1.00 23.10 C ATOM 875 CG LEU A 58 -5.058 6.185 -7.499 1.00 33.33 C ATOM 876 CD1 LEU A 58 -4.502 6.020 -6.088 1.00 41.45 C ATOM 877 CD2 LEU A 58 -6.292 7.060 -7.498 1.00 4.23 C ATOM 0 H LEU A 58 -2.129 7.454 -9.877 1.00 75.12 H new ATOM 0 HA LEU A 58 -2.421 5.401 -7.853 1.00 21.35 H new ATOM 0 HB2 LEU A 58 -3.598 7.660 -7.979 1.00 23.10 H new ATOM 0 HB3 LEU A 58 -4.481 7.044 -9.361 1.00 23.10 H new ATOM 0 HG LEU A 58 -5.347 5.200 -7.866 1.00 33.33 H new ATOM 0 HD11 LEU A 58 -5.276 5.614 -5.437 1.00 41.45 H new ATOM 0 HD12 LEU A 58 -3.652 5.338 -6.109 1.00 41.45 H new ATOM 0 HD13 LEU A 58 -4.180 6.990 -5.708 1.00 41.45 H new ATOM 0 HD21 LEU A 58 -7.038 6.636 -6.826 1.00 4.23 H new ATOM 0 HD22 LEU A 58 -6.027 8.062 -7.161 1.00 4.23 H new ATOM 0 HD23 LEU A 58 -6.701 7.113 -8.507 1.00 4.23 H new ATOM 889 N ARG A 59 -2.651 3.560 -9.576 1.00 21.45 N ATOM 890 CA ARG A 59 -2.967 2.418 -10.410 1.00 32.13 C ATOM 891 C ARG A 59 -2.908 1.133 -9.620 1.00 53.44 C ATOM 892 O ARG A 59 -2.319 1.076 -8.538 1.00 14.14 O ATOM 893 CB ARG A 59 -2.039 2.327 -11.625 1.00 40.43 C ATOM 894 CG ARG A 59 -2.206 3.443 -12.640 1.00 22.43 C ATOM 895 CD ARG A 59 -1.260 3.283 -13.815 1.00 31.23 C ATOM 896 NE ARG A 59 -1.511 4.297 -14.844 1.00 10.53 N ATOM 897 CZ ARG A 59 -0.784 4.478 -15.949 1.00 51.41 C ATOM 898 NH1 ARG A 59 0.312 3.755 -16.167 1.00 40.13 N ATOM 899 NH2 ARG A 59 -1.155 5.390 -16.838 1.00 32.54 N ATOM 0 H ARG A 59 -1.908 3.389 -8.899 1.00 21.45 H new ATOM 0 HA ARG A 59 -3.985 2.563 -10.771 1.00 32.13 H new ATOM 0 HB2 ARG A 59 -1.006 2.324 -11.276 1.00 40.43 H new ATOM 0 HB3 ARG A 59 -2.210 1.373 -12.124 1.00 40.43 H new ATOM 0 HG2 ARG A 59 -3.235 3.455 -13.001 1.00 22.43 H new ATOM 0 HG3 ARG A 59 -2.026 4.403 -12.157 1.00 22.43 H new ATOM 0 HD2 ARG A 59 -0.230 3.361 -13.468 1.00 31.23 H new ATOM 0 HD3 ARG A 59 -1.377 2.288 -14.246 1.00 31.23 H new ATOM 0 HE ARG A 59 -2.309 4.917 -14.704 1.00 10.53 H new ATOM 0 HH11 ARG A 59 0.604 3.054 -15.486 1.00 40.13 H new ATOM 0 HH12 ARG A 59 0.860 3.902 -17.015 1.00 40.13 H new ATOM 0 HH21 ARG A 59 -1.992 5.949 -16.676 1.00 32.54 H new ATOM 0 HH22 ARG A 59 -0.603 5.532 -17.684 1.00 32.54 H new ATOM 913 N LEU A 60 -3.497 0.101 -10.174 1.00 41.25 N ATOM 914 CA LEU A 60 -3.593 -1.172 -9.518 1.00 14.34 C ATOM 915 C LEU A 60 -3.394 -2.288 -10.512 1.00 25.41 C ATOM 916 O LEU A 60 -3.694 -2.135 -11.698 1.00 33.02 O ATOM 917 CB LEU A 60 -4.966 -1.274 -8.816 1.00 50.41 C ATOM 918 CG LEU A 60 -6.205 -1.114 -9.712 1.00 14.42 C ATOM 919 CD1 LEU A 60 -6.551 -2.381 -10.483 1.00 61.22 C ATOM 920 CD2 LEU A 60 -7.378 -0.624 -8.942 1.00 50.23 C ATOM 0 H LEU A 60 -3.925 0.125 -11.100 1.00 41.25 H new ATOM 0 HA LEU A 60 -2.810 -1.264 -8.766 1.00 14.34 H new ATOM 0 HB2 LEU A 60 -5.025 -2.243 -8.321 1.00 50.41 H new ATOM 0 HB3 LEU A 60 -5.008 -0.514 -8.036 1.00 50.41 H new ATOM 0 HG LEU A 60 -5.943 -0.359 -10.453 1.00 14.42 H new ATOM 0 HD11 LEU A 60 -7.434 -2.204 -11.097 1.00 61.22 H new ATOM 0 HD12 LEU A 60 -5.714 -2.657 -11.124 1.00 61.22 H new ATOM 0 HD13 LEU A 60 -6.753 -3.190 -9.781 1.00 61.22 H new ATOM 0 HD21 LEU A 60 -8.234 -0.523 -9.609 1.00 50.23 H new ATOM 0 HD22 LEU A 60 -7.616 -1.334 -8.150 1.00 50.23 H new ATOM 0 HD23 LEU A 60 -7.145 0.345 -8.502 1.00 50.23 H new ATOM 932 N ILE A 61 -2.882 -3.378 -10.047 1.00 50.32 N ATOM 933 CA ILE A 61 -2.673 -4.546 -10.844 1.00 51.15 C ATOM 934 C ILE A 61 -3.410 -5.712 -10.210 1.00 41.01 C ATOM 935 O ILE A 61 -3.208 -6.025 -9.028 1.00 22.22 O ATOM 936 CB ILE A 61 -1.165 -4.870 -10.941 1.00 4.31 C ATOM 937 CG1 ILE A 61 -0.430 -3.709 -11.602 1.00 22.14 C ATOM 938 CG2 ILE A 61 -0.926 -6.165 -11.718 1.00 21.22 C ATOM 939 CD1 ILE A 61 1.077 -3.842 -11.595 1.00 10.04 C ATOM 0 H ILE A 61 -2.589 -3.487 -9.076 1.00 50.32 H new ATOM 0 HA ILE A 61 -3.052 -4.369 -11.850 1.00 51.15 H new ATOM 0 HB ILE A 61 -0.778 -5.012 -9.932 1.00 4.31 H new ATOM 0 HG12 ILE A 61 -0.770 -3.619 -12.634 1.00 22.14 H new ATOM 0 HG13 ILE A 61 -0.704 -2.784 -11.094 1.00 22.14 H new ATOM 0 HG21 ILE A 61 0.144 -6.366 -11.769 1.00 21.22 H new ATOM 0 HG22 ILE A 61 -1.427 -6.991 -11.212 1.00 21.22 H new ATOM 0 HG23 ILE A 61 -1.325 -6.063 -12.727 1.00 21.22 H new ATOM 0 HD11 ILE A 61 1.521 -2.975 -12.084 1.00 10.04 H new ATOM 0 HD12 ILE A 61 1.432 -3.900 -10.566 1.00 10.04 H new ATOM 0 HD13 ILE A 61 1.365 -4.747 -12.130 1.00 10.04 H new ATOM 951 N TYR A 62 -4.228 -6.374 -10.974 1.00 10.30 N ATOM 952 CA TYR A 62 -4.974 -7.495 -10.462 1.00 71.21 C ATOM 953 C TYR A 62 -4.270 -8.739 -10.897 1.00 50.45 C ATOM 954 O TYR A 62 -4.658 -9.414 -11.851 1.00 32.25 O ATOM 955 CB TYR A 62 -6.454 -7.447 -10.921 1.00 41.11 C ATOM 956 CG TYR A 62 -7.369 -8.588 -10.448 1.00 21.45 C ATOM 957 CD1 TYR A 62 -7.308 -9.088 -9.150 1.00 50.11 C ATOM 958 CD2 TYR A 62 -8.323 -9.137 -11.312 1.00 2.31 C ATOM 959 CE1 TYR A 62 -8.158 -10.100 -8.734 1.00 11.15 C ATOM 960 CE2 TYR A 62 -9.177 -10.149 -10.898 1.00 75.42 C ATOM 961 CZ TYR A 62 -9.091 -10.624 -9.612 1.00 73.22 C ATOM 962 OH TYR A 62 -9.937 -11.640 -9.201 1.00 61.51 O ATOM 0 H TYR A 62 -4.399 -6.160 -11.957 1.00 10.30 H new ATOM 0 HA TYR A 62 -5.014 -7.468 -9.373 1.00 71.21 H new ATOM 0 HB2 TYR A 62 -6.884 -6.505 -10.581 1.00 41.11 H new ATOM 0 HB3 TYR A 62 -6.470 -7.429 -12.011 1.00 41.11 H new ATOM 0 HD1 TYR A 62 -6.587 -8.681 -8.457 1.00 50.11 H new ATOM 0 HD2 TYR A 62 -8.396 -8.765 -12.323 1.00 2.31 H new ATOM 0 HE1 TYR A 62 -8.093 -10.480 -7.725 1.00 11.15 H new ATOM 0 HE2 TYR A 62 -9.904 -10.560 -11.582 1.00 75.42 H new ATOM 0 HH TYR A 62 -10.868 -11.355 -9.311 1.00 61.51 H new ATOM 972 N GLN A 63 -3.124 -8.927 -10.231 1.00 12.25 N ATOM 973 CA GLN A 63 -2.188 -9.966 -10.389 1.00 34.51 C ATOM 974 C GLN A 63 -1.501 -9.945 -11.778 1.00 24.42 C ATOM 975 O GLN A 63 -0.268 -9.850 -11.869 1.00 24.23 O ATOM 976 CB GLN A 63 -2.783 -11.299 -10.065 1.00 21.14 C ATOM 977 CG GLN A 63 -1.729 -12.296 -9.902 1.00 61.43 C ATOM 978 CD GLN A 63 -2.265 -13.698 -9.772 1.00 11.14 C ATOM 979 OE1 GLN A 63 -2.548 -14.165 -8.671 1.00 31.21 O ATOM 980 NE2 GLN A 63 -2.409 -14.378 -10.872 1.00 61.13 N ATOM 0 H GLN A 63 -2.832 -8.273 -9.505 1.00 12.25 H new ATOM 0 HA GLN A 63 -1.395 -9.787 -9.663 1.00 34.51 H new ATOM 0 HB2 GLN A 63 -3.372 -11.230 -9.151 1.00 21.14 H new ATOM 0 HB3 GLN A 63 -3.463 -11.605 -10.860 1.00 21.14 H new ATOM 0 HG2 GLN A 63 -1.055 -12.248 -10.757 1.00 61.43 H new ATOM 0 HG3 GLN A 63 -1.140 -12.054 -9.017 1.00 61.43 H new ATOM 0 HE21 GLN A 63 -2.163 -13.957 -11.768 1.00 61.13 H new ATOM 0 HE22 GLN A 63 -2.768 -15.332 -10.838 1.00 61.13 H new ATOM 989 N GLY A 64 -2.289 -9.996 -12.824 1.00 5.32 N ATOM 990 CA GLY A 64 -1.766 -10.006 -14.158 1.00 62.42 C ATOM 991 C GLY A 64 -1.584 -8.616 -14.740 1.00 45.32 C ATOM 992 O GLY A 64 -0.468 -8.214 -15.039 1.00 42.51 O ATOM 0 H GLY A 64 -3.307 -10.031 -12.770 1.00 5.32 H new ATOM 0 HA2 GLY A 64 -0.806 -10.523 -14.161 1.00 62.42 H new ATOM 0 HA3 GLY A 64 -2.437 -10.577 -14.800 1.00 62.42 H new ATOM 996 N ARG A 65 -2.671 -7.869 -14.887 1.00 64.04 N ATOM 997 CA ARG A 65 -2.582 -6.553 -15.531 1.00 42.13 C ATOM 998 C ARG A 65 -3.277 -5.474 -14.714 1.00 71.53 C ATOM 999 O ARG A 65 -3.917 -5.764 -13.688 1.00 70.41 O ATOM 1000 CB ARG A 65 -3.151 -6.556 -16.988 1.00 12.52 C ATOM 1001 CG ARG A 65 -4.679 -6.693 -17.121 1.00 53.21 C ATOM 1002 CD ARG A 65 -5.195 -8.030 -16.659 1.00 35.13 C ATOM 1003 NE ARG A 65 -6.656 -8.104 -16.687 1.00 24.14 N ATOM 1004 CZ ARG A 65 -7.357 -9.205 -16.380 1.00 43.43 C ATOM 1005 NH1 ARG A 65 -6.726 -10.362 -16.197 1.00 62.14 N ATOM 1006 NH2 ARG A 65 -8.683 -9.159 -16.303 1.00 55.24 N ATOM 0 H ARG A 65 -3.606 -8.138 -14.579 1.00 64.04 H new ATOM 0 HA ARG A 65 -1.518 -6.324 -15.584 1.00 42.13 H new ATOM 0 HB2 ARG A 65 -2.846 -5.631 -17.477 1.00 12.52 H new ATOM 0 HB3 ARG A 65 -2.685 -7.375 -17.536 1.00 12.52 H new ATOM 0 HG2 ARG A 65 -5.160 -5.905 -16.542 1.00 53.21 H new ATOM 0 HG3 ARG A 65 -4.962 -6.541 -18.163 1.00 53.21 H new ATOM 0 HD2 ARG A 65 -4.782 -8.815 -17.293 1.00 35.13 H new ATOM 0 HD3 ARG A 65 -4.844 -8.221 -15.645 1.00 35.13 H new ATOM 0 HE ARG A 65 -7.173 -7.267 -16.957 1.00 24.14 H new ATOM 0 HH11 ARG A 65 -5.711 -10.410 -16.290 1.00 62.14 H new ATOM 0 HH12 ARG A 65 -7.257 -11.201 -15.963 1.00 62.14 H new ATOM 0 HH21 ARG A 65 -9.174 -8.282 -16.478 1.00 55.24 H new ATOM 0 HH22 ARG A 65 -9.210 -10.001 -16.069 1.00 55.24 H new ATOM 1020 N PHE A 66 -3.167 -4.249 -15.189 1.00 13.43 N ATOM 1021 CA PHE A 66 -3.799 -3.105 -14.581 1.00 21.13 C ATOM 1022 C PHE A 66 -5.261 -3.087 -15.018 1.00 4.02 C ATOM 1023 O PHE A 66 -5.553 -3.033 -16.221 1.00 53.14 O ATOM 1024 CB PHE A 66 -3.118 -1.806 -15.063 1.00 71.42 C ATOM 1025 CG PHE A 66 -1.628 -1.702 -14.800 1.00 34.45 C ATOM 1026 CD1 PHE A 66 -0.713 -2.349 -15.625 1.00 22.41 C ATOM 1027 CD2 PHE A 66 -1.143 -0.940 -13.749 1.00 52.11 C ATOM 1028 CE1 PHE A 66 0.644 -2.238 -15.408 1.00 64.33 C ATOM 1029 CE2 PHE A 66 0.217 -0.830 -13.528 1.00 73.41 C ATOM 1030 CZ PHE A 66 1.109 -1.479 -14.360 1.00 1.42 C ATOM 0 H PHE A 66 -2.626 -4.022 -16.023 1.00 13.43 H new ATOM 0 HA PHE A 66 -3.716 -3.168 -13.496 1.00 21.13 H new ATOM 0 HB2 PHE A 66 -3.286 -1.707 -16.135 1.00 71.42 H new ATOM 0 HB3 PHE A 66 -3.612 -0.961 -14.584 1.00 71.42 H new ATOM 0 HD1 PHE A 66 -1.072 -2.948 -16.449 1.00 22.41 H new ATOM 0 HD2 PHE A 66 -1.834 -0.427 -13.096 1.00 52.11 H new ATOM 0 HE1 PHE A 66 1.340 -2.746 -16.059 1.00 64.33 H new ATOM 0 HE2 PHE A 66 0.583 -0.236 -12.704 1.00 73.41 H new ATOM 0 HZ PHE A 66 2.171 -1.390 -14.187 1.00 1.42 H new ATOM 1040 N LEU A 67 -6.176 -3.181 -14.079 1.00 20.53 N ATOM 1041 CA LEU A 67 -7.598 -3.171 -14.451 1.00 3.15 C ATOM 1042 C LEU A 67 -8.100 -1.776 -14.717 1.00 74.12 C ATOM 1043 O LEU A 67 -8.737 -1.510 -15.734 1.00 64.54 O ATOM 1044 CB LEU A 67 -8.491 -3.824 -13.401 1.00 2.22 C ATOM 1045 CG LEU A 67 -8.248 -5.290 -13.089 1.00 42.30 C ATOM 1046 CD1 LEU A 67 -9.300 -5.779 -12.132 1.00 53.45 C ATOM 1047 CD2 LEU A 67 -8.250 -6.134 -14.345 1.00 64.21 C ATOM 0 H LEU A 67 -5.985 -3.263 -13.080 1.00 20.53 H new ATOM 0 HA LEU A 67 -7.656 -3.759 -15.367 1.00 3.15 H new ATOM 0 HB2 LEU A 67 -8.387 -3.261 -12.474 1.00 2.22 H new ATOM 0 HB3 LEU A 67 -9.526 -3.716 -13.725 1.00 2.22 H new ATOM 0 HG LEU A 67 -7.263 -5.385 -12.632 1.00 42.30 H new ATOM 0 HD11 LEU A 67 -9.127 -6.831 -11.907 1.00 53.45 H new ATOM 0 HD12 LEU A 67 -9.252 -5.199 -11.211 1.00 53.45 H new ATOM 0 HD13 LEU A 67 -10.285 -5.662 -12.583 1.00 53.45 H new ATOM 0 HD21 LEU A 67 -8.073 -7.177 -14.083 1.00 64.21 H new ATOM 0 HD22 LEU A 67 -9.216 -6.044 -14.843 1.00 64.21 H new ATOM 0 HD23 LEU A 67 -7.463 -5.790 -15.016 1.00 64.21 H new ATOM 1059 N HIS A 68 -7.777 -0.883 -13.822 1.00 21.34 N ATOM 1060 CA HIS A 68 -8.271 0.465 -13.852 1.00 45.44 C ATOM 1061 C HIS A 68 -7.454 1.210 -12.829 1.00 45.02 C ATOM 1062 O HIS A 68 -6.744 0.578 -12.067 1.00 34.44 O ATOM 1063 CB HIS A 68 -9.769 0.441 -13.448 1.00 33.30 C ATOM 1064 CG HIS A 68 -10.544 1.686 -13.766 1.00 62.21 C ATOM 1065 ND1 HIS A 68 -11.340 1.806 -14.878 1.00 72.21 N ATOM 1066 CD2 HIS A 68 -10.661 2.842 -13.099 1.00 61.32 C ATOM 1067 CE1 HIS A 68 -11.914 2.989 -14.875 1.00 60.22 C ATOM 1068 NE2 HIS A 68 -11.518 3.637 -13.801 1.00 31.31 N ATOM 0 H HIS A 68 -7.153 -1.076 -13.039 1.00 21.34 H new ATOM 0 HA HIS A 68 -8.190 0.934 -14.833 1.00 45.44 H new ATOM 0 HB2 HIS A 68 -10.248 -0.402 -13.946 1.00 33.30 H new ATOM 0 HB3 HIS A 68 -9.835 0.257 -12.376 1.00 33.30 H new ATOM 0 HD2 HIS A 68 -10.166 3.098 -12.174 1.00 61.32 H new ATOM 0 HE1 HIS A 68 -12.594 3.364 -15.626 1.00 60.22 H new ATOM 0 HE2 HIS A 68 -11.805 4.579 -13.537 1.00 31.31 H new ATOM 1077 N GLY A 69 -7.524 2.506 -12.803 1.00 15.35 N ATOM 1078 CA GLY A 69 -6.770 3.257 -11.825 1.00 32.13 C ATOM 1079 C GLY A 69 -7.428 3.286 -10.446 1.00 14.24 C ATOM 1080 O GLY A 69 -6.854 3.820 -9.505 1.00 24.00 O ATOM 0 H GLY A 69 -8.089 3.069 -13.439 1.00 15.35 H new ATOM 0 HA2 GLY A 69 -5.773 2.825 -11.735 1.00 32.13 H new ATOM 0 HA3 GLY A 69 -6.643 4.279 -12.181 1.00 32.13 H new ATOM 1084 N ASN A 70 -8.608 2.664 -10.316 1.00 44.44 N ATOM 1085 CA ASN A 70 -9.390 2.710 -9.081 1.00 35.44 C ATOM 1086 C ASN A 70 -10.660 1.856 -9.237 1.00 72.40 C ATOM 1087 O ASN A 70 -11.746 2.365 -9.503 1.00 11.21 O ATOM 1088 CB ASN A 70 -9.749 4.181 -8.704 1.00 74.32 C ATOM 1089 CG ASN A 70 -10.439 4.349 -7.355 1.00 23.43 C ATOM 1090 OD1 ASN A 70 -11.163 3.487 -6.891 1.00 4.40 O ATOM 1091 ND2 ASN A 70 -10.207 5.473 -6.722 1.00 2.12 N ATOM 0 H ASN A 70 -9.042 2.119 -11.061 1.00 44.44 H new ATOM 0 HA ASN A 70 -8.790 2.299 -8.269 1.00 35.44 H new ATOM 0 HB2 ASN A 70 -8.834 4.774 -8.704 1.00 74.32 H new ATOM 0 HB3 ASN A 70 -10.395 4.592 -9.480 1.00 74.32 H new ATOM 0 HD21 ASN A 70 -10.638 5.645 -5.814 1.00 2.12 H new ATOM 0 HD22 ASN A 70 -9.595 6.176 -7.138 1.00 2.12 H new ATOM 1098 N VAL A 71 -10.478 0.557 -9.217 1.00 23.40 N ATOM 1099 CA VAL A 71 -11.581 -0.388 -9.258 1.00 2.00 C ATOM 1100 C VAL A 71 -11.784 -0.979 -7.837 1.00 54.04 C ATOM 1101 O VAL A 71 -10.825 -1.019 -7.044 1.00 53.53 O ATOM 1102 CB VAL A 71 -11.367 -1.493 -10.365 1.00 64.43 C ATOM 1103 CG1 VAL A 71 -10.179 -2.374 -10.097 1.00 33.11 C ATOM 1104 CG2 VAL A 71 -12.602 -2.325 -10.588 1.00 62.31 C ATOM 0 H VAL A 71 -9.558 0.119 -9.172 1.00 23.40 H new ATOM 0 HA VAL A 71 -12.496 0.128 -9.548 1.00 2.00 H new ATOM 0 HB VAL A 71 -11.159 -0.943 -11.283 1.00 64.43 H new ATOM 0 HG11 VAL A 71 -10.086 -3.112 -10.894 1.00 33.11 H new ATOM 0 HG12 VAL A 71 -9.276 -1.765 -10.060 1.00 33.11 H new ATOM 0 HG13 VAL A 71 -10.312 -2.884 -9.143 1.00 33.11 H new ATOM 0 HG21 VAL A 71 -12.404 -3.071 -11.358 1.00 62.31 H new ATOM 0 HG22 VAL A 71 -12.876 -2.826 -9.660 1.00 62.31 H new ATOM 0 HG23 VAL A 71 -13.421 -1.681 -10.908 1.00 62.31 H new ATOM 1114 N THR A 72 -12.993 -1.381 -7.498 1.00 74.43 N ATOM 1115 CA THR A 72 -13.261 -1.941 -6.177 1.00 1.23 C ATOM 1116 C THR A 72 -12.996 -3.449 -6.165 1.00 1.11 C ATOM 1117 O THR A 72 -12.934 -4.081 -7.227 1.00 1.54 O ATOM 1118 CB THR A 72 -14.716 -1.676 -5.749 1.00 34.12 C ATOM 1119 OG1 THR A 72 -15.610 -2.218 -6.729 1.00 74.35 O ATOM 1120 CG2 THR A 72 -14.968 -0.188 -5.596 1.00 71.24 C ATOM 0 H THR A 72 -13.806 -1.333 -8.112 1.00 74.43 H new ATOM 0 HA THR A 72 -12.590 -1.452 -5.471 1.00 1.23 H new ATOM 0 HB THR A 72 -14.889 -2.157 -4.787 1.00 34.12 H new ATOM 0 HG1 THR A 72 -16.536 -2.051 -6.455 1.00 74.35 H new ATOM 0 HG21 THR A 72 -16.002 -0.023 -5.293 1.00 71.24 H new ATOM 0 HG22 THR A 72 -14.299 0.218 -4.838 1.00 71.24 H new ATOM 0 HG23 THR A 72 -14.785 0.312 -6.547 1.00 71.24 H new ATOM 1128 N LEU A 73 -12.850 -4.031 -4.970 1.00 11.50 N ATOM 1129 CA LEU A 73 -12.575 -5.450 -4.850 1.00 30.53 C ATOM 1130 C LEU A 73 -13.777 -6.279 -5.284 1.00 63.44 C ATOM 1131 O LEU A 73 -13.625 -7.352 -5.860 1.00 14.43 O ATOM 1132 CB LEU A 73 -12.168 -5.826 -3.425 1.00 5.34 C ATOM 1133 CG LEU A 73 -10.979 -5.066 -2.816 1.00 43.34 C ATOM 1134 CD1 LEU A 73 -9.824 -4.939 -3.785 1.00 70.33 C ATOM 1135 CD2 LEU A 73 -11.380 -3.737 -2.220 1.00 23.25 C ATOM 0 H LEU A 73 -12.919 -3.536 -4.081 1.00 11.50 H new ATOM 0 HA LEU A 73 -11.738 -5.671 -5.513 1.00 30.53 H new ATOM 0 HB2 LEU A 73 -13.032 -5.680 -2.776 1.00 5.34 H new ATOM 0 HB3 LEU A 73 -11.934 -6.890 -3.409 1.00 5.34 H new ATOM 0 HG LEU A 73 -10.622 -5.674 -1.984 1.00 43.34 H new ATOM 0 HD11 LEU A 73 -9.008 -4.395 -3.309 1.00 70.33 H new ATOM 0 HD12 LEU A 73 -9.479 -5.932 -4.072 1.00 70.33 H new ATOM 0 HD13 LEU A 73 -10.152 -4.398 -4.673 1.00 70.33 H new ATOM 0 HD21 LEU A 73 -10.501 -3.244 -1.805 1.00 23.25 H new ATOM 0 HD22 LEU A 73 -11.816 -3.107 -2.995 1.00 23.25 H new ATOM 0 HD23 LEU A 73 -12.113 -3.899 -1.429 1.00 23.25 H new ATOM 1147 N GLY A 74 -14.975 -5.772 -5.009 1.00 65.30 N ATOM 1148 CA GLY A 74 -16.186 -6.446 -5.450 1.00 30.24 C ATOM 1149 C GLY A 74 -16.259 -6.512 -6.969 1.00 43.23 C ATOM 1150 O GLY A 74 -16.730 -7.493 -7.543 1.00 15.32 O ATOM 0 H GLY A 74 -15.130 -4.908 -4.490 1.00 65.30 H new ATOM 0 HA2 GLY A 74 -16.214 -7.455 -5.038 1.00 30.24 H new ATOM 0 HA3 GLY A 74 -17.059 -5.920 -5.064 1.00 30.24 H new ATOM 1154 N ALA A 75 -15.748 -5.477 -7.617 1.00 43.44 N ATOM 1155 CA ALA A 75 -15.722 -5.385 -9.068 1.00 12.33 C ATOM 1156 C ALA A 75 -14.687 -6.334 -9.673 1.00 3.21 C ATOM 1157 O ALA A 75 -14.713 -6.614 -10.880 1.00 60.51 O ATOM 1158 CB ALA A 75 -15.467 -3.962 -9.504 1.00 30.44 C ATOM 0 H ALA A 75 -15.336 -4.671 -7.147 1.00 43.44 H new ATOM 0 HA ALA A 75 -16.701 -5.690 -9.438 1.00 12.33 H new ATOM 0 HB1 ALA A 75 -15.451 -3.912 -10.593 1.00 30.44 H new ATOM 0 HB2 ALA A 75 -16.259 -3.317 -9.123 1.00 30.44 H new ATOM 0 HB3 ALA A 75 -14.507 -3.628 -9.111 1.00 30.44 H new ATOM 1164 N LEU A 76 -13.783 -6.829 -8.833 1.00 24.24 N ATOM 1165 CA LEU A 76 -12.733 -7.751 -9.262 1.00 62.02 C ATOM 1166 C LEU A 76 -13.280 -9.167 -9.322 1.00 11.24 C ATOM 1167 O LEU A 76 -12.570 -10.092 -9.697 1.00 72.42 O ATOM 1168 CB LEU A 76 -11.599 -7.763 -8.248 1.00 25.42 C ATOM 1169 CG LEU A 76 -10.950 -6.448 -7.886 1.00 55.52 C ATOM 1170 CD1 LEU A 76 -9.897 -6.687 -6.860 1.00 52.21 C ATOM 1171 CD2 LEU A 76 -10.347 -5.800 -9.078 1.00 75.42 C ATOM 0 H LEU A 76 -13.756 -6.604 -7.838 1.00 24.24 H new ATOM 0 HA LEU A 76 -12.379 -7.423 -10.239 1.00 62.02 H new ATOM 0 HB2 LEU A 76 -11.979 -8.211 -7.330 1.00 25.42 H new ATOM 0 HB3 LEU A 76 -10.821 -8.425 -8.627 1.00 25.42 H new ATOM 0 HG LEU A 76 -11.716 -5.782 -7.490 1.00 55.52 H new ATOM 0 HD11 LEU A 76 -9.425 -5.741 -6.595 1.00 52.21 H new ATOM 0 HD12 LEU A 76 -10.348 -7.129 -5.971 1.00 52.21 H new ATOM 0 HD13 LEU A 76 -9.146 -7.367 -7.261 1.00 52.21 H new ATOM 0 HD21 LEU A 76 -9.888 -4.856 -8.786 1.00 75.42 H new ATOM 0 HD22 LEU A 76 -9.588 -6.456 -9.504 1.00 75.42 H new ATOM 0 HD23 LEU A 76 -11.122 -5.612 -9.821 1.00 75.42 H new ATOM 1183 N LYS A 77 -14.550 -9.318 -8.956 1.00 1.30 N ATOM 1184 CA LYS A 77 -15.214 -10.618 -8.860 1.00 63.30 C ATOM 1185 C LYS A 77 -14.562 -11.421 -7.761 1.00 21.30 C ATOM 1186 O LYS A 77 -13.784 -12.343 -8.019 1.00 42.54 O ATOM 1187 CB LYS A 77 -15.247 -11.450 -10.190 1.00 23.54 C ATOM 1188 CG LYS A 77 -15.962 -10.824 -11.393 1.00 71.01 C ATOM 1189 CD LYS A 77 -15.238 -9.601 -11.932 1.00 10.44 C ATOM 1190 CE LYS A 77 -15.982 -8.985 -13.096 1.00 52.30 C ATOM 1191 NZ LYS A 77 -15.354 -7.728 -13.542 1.00 5.42 N ATOM 0 H LYS A 77 -15.155 -8.533 -8.715 1.00 1.30 H new ATOM 0 HA LYS A 77 -16.260 -10.408 -8.636 1.00 63.30 H new ATOM 0 HB2 LYS A 77 -14.218 -11.661 -10.481 1.00 23.54 H new ATOM 0 HB3 LYS A 77 -15.721 -12.408 -9.977 1.00 23.54 H new ATOM 0 HG2 LYS A 77 -16.051 -11.567 -12.185 1.00 71.01 H new ATOM 0 HG3 LYS A 77 -16.975 -10.544 -11.104 1.00 71.01 H new ATOM 0 HD2 LYS A 77 -15.128 -8.863 -11.138 1.00 10.44 H new ATOM 0 HD3 LYS A 77 -14.233 -9.882 -12.248 1.00 10.44 H new ATOM 0 HE2 LYS A 77 -16.010 -9.692 -13.925 1.00 52.30 H new ATOM 0 HE3 LYS A 77 -17.015 -8.793 -12.807 1.00 52.30 H new ATOM 0 HZ1 LYS A 77 -16.038 -7.177 -14.099 1.00 5.42 H new ATOM 0 HZ2 LYS A 77 -15.057 -7.175 -12.713 1.00 5.42 H new ATOM 0 HZ3 LYS A 77 -14.523 -7.944 -14.129 1.00 5.42 H new ATOM 1205 N LEU A 78 -14.818 -11.022 -6.543 1.00 42.33 N ATOM 1206 CA LEU A 78 -14.230 -11.661 -5.401 1.00 44.43 C ATOM 1207 C LEU A 78 -15.279 -11.974 -4.376 1.00 62.40 C ATOM 1208 O LEU A 78 -16.025 -11.080 -3.955 1.00 74.11 O ATOM 1209 CB LEU A 78 -13.169 -10.766 -4.758 1.00 41.14 C ATOM 1210 CG LEU A 78 -11.963 -10.420 -5.615 1.00 33.05 C ATOM 1211 CD1 LEU A 78 -11.023 -9.512 -4.849 1.00 2.11 C ATOM 1212 CD2 LEU A 78 -11.241 -11.682 -6.058 1.00 22.01 C ATOM 0 H LEU A 78 -15.440 -10.245 -6.317 1.00 42.33 H new ATOM 0 HA LEU A 78 -13.763 -12.583 -5.747 1.00 44.43 H new ATOM 0 HB2 LEU A 78 -13.648 -9.836 -4.451 1.00 41.14 H new ATOM 0 HB3 LEU A 78 -12.814 -11.256 -3.851 1.00 41.14 H new ATOM 0 HG LEU A 78 -12.308 -9.895 -6.506 1.00 33.05 H new ATOM 0 HD11 LEU A 78 -10.162 -9.270 -5.472 1.00 2.11 H new ATOM 0 HD12 LEU A 78 -11.544 -8.594 -4.578 1.00 2.11 H new ATOM 0 HD13 LEU A 78 -10.685 -10.018 -3.944 1.00 2.11 H new ATOM 0 HD21 LEU A 78 -10.381 -11.413 -6.671 1.00 22.01 H new ATOM 0 HD22 LEU A 78 -10.904 -12.235 -5.181 1.00 22.01 H new ATOM 0 HD23 LEU A 78 -11.920 -12.304 -6.640 1.00 22.01 H new ATOM 1224 N PRO A 79 -15.404 -13.231 -3.988 1.00 34.04 N ATOM 1225 CA PRO A 79 -16.280 -13.613 -2.925 1.00 72.23 C ATOM 1226 C PRO A 79 -15.629 -13.338 -1.580 1.00 52.13 C ATOM 1227 O PRO A 79 -14.407 -13.496 -1.402 1.00 53.11 O ATOM 1228 CB PRO A 79 -16.483 -15.127 -3.119 1.00 71.32 C ATOM 1229 CG PRO A 79 -15.761 -15.463 -4.377 1.00 34.31 C ATOM 1230 CD PRO A 79 -14.738 -14.388 -4.570 1.00 21.45 C ATOM 0 HA PRO A 79 -17.219 -13.060 -2.941 1.00 72.23 H new ATOM 0 HB2 PRO A 79 -16.084 -15.689 -2.274 1.00 71.32 H new ATOM 0 HB3 PRO A 79 -17.542 -15.375 -3.195 1.00 71.32 H new ATOM 0 HG2 PRO A 79 -15.288 -16.442 -4.305 1.00 34.31 H new ATOM 0 HG3 PRO A 79 -16.448 -15.503 -5.222 1.00 34.31 H new ATOM 0 HD2 PRO A 79 -13.802 -14.619 -4.061 1.00 21.45 H new ATOM 0 HD3 PRO A 79 -14.500 -14.235 -5.623 1.00 21.45 H new ATOM 1238 N PHE A 80 -16.429 -12.937 -0.662 1.00 70.05 N ATOM 1239 CA PHE A 80 -16.005 -12.656 0.672 1.00 2.22 C ATOM 1240 C PHE A 80 -15.763 -13.935 1.420 1.00 2.24 C ATOM 1241 O PHE A 80 -16.405 -14.948 1.154 1.00 24.40 O ATOM 1242 CB PHE A 80 -16.997 -11.720 1.376 1.00 32.01 C ATOM 1243 CG PHE A 80 -18.432 -11.929 0.975 1.00 42.22 C ATOM 1244 CD1 PHE A 80 -19.154 -13.029 1.413 1.00 74.41 C ATOM 1245 CD2 PHE A 80 -19.054 -11.004 0.153 1.00 33.03 C ATOM 1246 CE1 PHE A 80 -20.467 -13.205 1.036 1.00 24.53 C ATOM 1247 CE2 PHE A 80 -20.370 -11.171 -0.228 1.00 45.50 C ATOM 1248 CZ PHE A 80 -21.079 -12.274 0.214 1.00 52.51 C ATOM 0 H PHE A 80 -17.426 -12.789 -0.816 1.00 70.05 H new ATOM 0 HA PHE A 80 -15.055 -12.123 0.645 1.00 2.22 H new ATOM 0 HB2 PHE A 80 -16.909 -11.859 2.453 1.00 32.01 H new ATOM 0 HB3 PHE A 80 -16.719 -10.688 1.164 1.00 32.01 H new ATOM 0 HD1 PHE A 80 -18.681 -13.756 2.057 1.00 74.41 H new ATOM 0 HD2 PHE A 80 -18.503 -10.142 -0.194 1.00 33.03 H new ATOM 0 HE1 PHE A 80 -21.018 -14.067 1.381 1.00 24.53 H new ATOM 0 HE2 PHE A 80 -20.845 -10.443 -0.869 1.00 45.50 H new ATOM 0 HZ PHE A 80 -22.109 -12.409 -0.082 1.00 52.51 H new ATOM 1258 N GLY A 81 -14.829 -13.898 2.329 1.00 43.54 N ATOM 1259 CA GLY A 81 -14.438 -15.100 3.012 1.00 62.33 C ATOM 1260 C GLY A 81 -13.270 -15.767 2.309 1.00 52.03 C ATOM 1261 O GLY A 81 -12.819 -16.836 2.712 1.00 12.32 O ATOM 0 H GLY A 81 -14.328 -13.056 2.613 1.00 43.54 H new ATOM 0 HA2 GLY A 81 -14.163 -14.866 4.040 1.00 62.33 H new ATOM 0 HA3 GLY A 81 -15.282 -15.788 3.057 1.00 62.33 H new ATOM 1265 N LYS A 82 -12.779 -15.128 1.252 1.00 20.10 N ATOM 1266 CA LYS A 82 -11.650 -15.633 0.506 1.00 51.12 C ATOM 1267 C LYS A 82 -10.512 -14.624 0.507 1.00 51.12 C ATOM 1268 O LYS A 82 -10.739 -13.423 0.731 1.00 22.34 O ATOM 1269 CB LYS A 82 -12.048 -15.978 -0.916 1.00 3.35 C ATOM 1270 CG LYS A 82 -13.145 -17.017 -0.991 1.00 5.33 C ATOM 1271 CD LYS A 82 -13.334 -17.479 -2.398 1.00 12.03 C ATOM 1272 CE LYS A 82 -14.422 -18.542 -2.491 1.00 1.21 C ATOM 1273 NZ LYS A 82 -14.610 -19.027 -3.877 1.00 61.24 N ATOM 0 H LYS A 82 -13.156 -14.250 0.896 1.00 20.10 H new ATOM 0 HA LYS A 82 -11.307 -16.545 0.994 1.00 51.12 H new ATOM 0 HB2 LYS A 82 -12.379 -15.072 -1.424 1.00 3.35 H new ATOM 0 HB3 LYS A 82 -11.173 -16.343 -1.453 1.00 3.35 H new ATOM 0 HG2 LYS A 82 -12.894 -17.865 -0.354 1.00 5.33 H new ATOM 0 HG3 LYS A 82 -14.077 -16.598 -0.611 1.00 5.33 H new ATOM 0 HD2 LYS A 82 -13.597 -16.630 -3.029 1.00 12.03 H new ATOM 0 HD3 LYS A 82 -12.396 -17.882 -2.780 1.00 12.03 H new ATOM 0 HE2 LYS A 82 -14.164 -19.382 -1.846 1.00 1.21 H new ATOM 0 HE3 LYS A 82 -15.361 -18.132 -2.120 1.00 1.21 H new ATOM 0 HZ1 LYS A 82 -15.623 -19.173 -4.059 1.00 61.24 H new ATOM 0 HZ2 LYS A 82 -14.236 -18.323 -4.545 1.00 61.24 H new ATOM 0 HZ3 LYS A 82 -14.103 -19.926 -4.002 1.00 61.24 H new ATOM 1287 N THR A 83 -9.301 -15.098 0.272 1.00 61.34 N ATOM 1288 CA THR A 83 -8.126 -14.255 0.271 1.00 74.34 C ATOM 1289 C THR A 83 -7.637 -14.014 -1.162 1.00 32.04 C ATOM 1290 O THR A 83 -7.441 -14.960 -1.941 1.00 11.14 O ATOM 1291 CB THR A 83 -7.010 -14.897 1.118 1.00 0.51 C ATOM 1292 OG1 THR A 83 -7.558 -15.232 2.407 1.00 12.13 O ATOM 1293 CG2 THR A 83 -5.845 -13.928 1.313 1.00 12.53 C ATOM 0 H THR A 83 -9.108 -16.080 0.077 1.00 61.34 H new ATOM 0 HA THR A 83 -8.389 -13.293 0.710 1.00 74.34 H new ATOM 0 HB THR A 83 -6.639 -15.784 0.605 1.00 0.51 H new ATOM 0 HG1 THR A 83 -6.863 -15.644 2.961 1.00 12.13 H new ATOM 0 HG21 THR A 83 -5.071 -14.406 1.914 1.00 12.53 H new ATOM 0 HG22 THR A 83 -5.433 -13.654 0.342 1.00 12.53 H new ATOM 0 HG23 THR A 83 -6.199 -13.032 1.823 1.00 12.53 H new ATOM 1301 N THR A 84 -7.466 -12.761 -1.503 1.00 75.32 N ATOM 1302 CA THR A 84 -7.036 -12.374 -2.825 1.00 4.22 C ATOM 1303 C THR A 84 -5.790 -11.482 -2.737 1.00 23.42 C ATOM 1304 O THR A 84 -5.661 -10.681 -1.812 1.00 3.31 O ATOM 1305 CB THR A 84 -8.166 -11.619 -3.541 1.00 62.03 C ATOM 1306 OG1 THR A 84 -9.370 -12.413 -3.480 1.00 33.42 O ATOM 1307 CG2 THR A 84 -7.806 -11.367 -5.004 1.00 53.05 C ATOM 0 H THR A 84 -7.622 -11.977 -0.869 1.00 75.32 H new ATOM 0 HA THR A 84 -6.788 -13.272 -3.391 1.00 4.22 H new ATOM 0 HB THR A 84 -8.316 -10.658 -3.049 1.00 62.03 H new ATOM 0 HG1 THR A 84 -10.069 -11.912 -3.010 1.00 33.42 H new ATOM 0 HG21 THR A 84 -8.620 -10.831 -5.492 1.00 53.05 H new ATOM 0 HG22 THR A 84 -6.896 -10.770 -5.057 1.00 53.05 H new ATOM 0 HG23 THR A 84 -7.645 -12.320 -5.508 1.00 53.05 H new ATOM 1315 N VAL A 85 -4.881 -11.646 -3.671 1.00 54.33 N ATOM 1316 CA VAL A 85 -3.665 -10.864 -3.699 1.00 65.32 C ATOM 1317 C VAL A 85 -3.663 -9.924 -4.926 1.00 33.43 C ATOM 1318 O VAL A 85 -4.093 -10.308 -6.018 1.00 54.33 O ATOM 1319 CB VAL A 85 -2.410 -11.794 -3.713 1.00 12.13 C ATOM 1320 CG1 VAL A 85 -2.391 -12.699 -4.940 1.00 22.44 C ATOM 1321 CG2 VAL A 85 -1.124 -10.998 -3.609 1.00 51.15 C ATOM 0 H VAL A 85 -4.963 -12.322 -4.430 1.00 54.33 H new ATOM 0 HA VAL A 85 -3.623 -10.255 -2.796 1.00 65.32 H new ATOM 0 HB VAL A 85 -2.479 -12.432 -2.832 1.00 12.13 H new ATOM 0 HG11 VAL A 85 -1.503 -13.330 -4.913 1.00 22.44 H new ATOM 0 HG12 VAL A 85 -3.282 -13.327 -4.943 1.00 22.44 H new ATOM 0 HG13 VAL A 85 -2.374 -12.088 -5.843 1.00 22.44 H new ATOM 0 HG21 VAL A 85 -0.273 -11.679 -3.622 1.00 51.15 H new ATOM 0 HG22 VAL A 85 -1.052 -10.311 -4.452 1.00 51.15 H new ATOM 0 HG23 VAL A 85 -1.121 -10.431 -2.678 1.00 51.15 H new ATOM 1331 N MET A 86 -3.226 -8.696 -4.733 1.00 11.34 N ATOM 1332 CA MET A 86 -3.142 -7.725 -5.814 1.00 11.33 C ATOM 1333 C MET A 86 -1.830 -7.003 -5.752 1.00 72.44 C ATOM 1334 O MET A 86 -1.254 -6.850 -4.689 1.00 32.14 O ATOM 1335 CB MET A 86 -4.258 -6.682 -5.743 1.00 2.44 C ATOM 1336 CG MET A 86 -5.658 -7.222 -5.873 1.00 42.04 C ATOM 1337 SD MET A 86 -6.895 -5.918 -5.795 1.00 22.04 S ATOM 1338 CE MET A 86 -6.510 -4.967 -7.267 1.00 52.43 C ATOM 0 H MET A 86 -2.919 -8.340 -3.828 1.00 11.34 H new ATOM 0 HA MET A 86 -3.241 -8.282 -6.746 1.00 11.33 H new ATOM 0 HB2 MET A 86 -4.178 -6.153 -4.793 1.00 2.44 H new ATOM 0 HB3 MET A 86 -4.096 -5.947 -6.532 1.00 2.44 H new ATOM 0 HG2 MET A 86 -5.754 -7.756 -6.818 1.00 42.04 H new ATOM 0 HG3 MET A 86 -5.843 -7.945 -5.078 1.00 42.04 H new ATOM 0 HE1 MET A 86 -7.374 -4.364 -7.547 1.00 52.43 H new ATOM 0 HE2 MET A 86 -5.661 -4.314 -7.066 1.00 52.43 H new ATOM 0 HE3 MET A 86 -6.261 -5.645 -8.083 1.00 52.43 H new ATOM 1348 N HIS A 87 -1.367 -6.551 -6.882 1.00 70.01 N ATOM 1349 CA HIS A 87 -0.142 -5.781 -6.956 1.00 33.11 C ATOM 1350 C HIS A 87 -0.481 -4.349 -7.151 1.00 71.15 C ATOM 1351 O HIS A 87 -1.342 -4.026 -7.938 1.00 42.33 O ATOM 1352 CB HIS A 87 0.785 -6.255 -8.062 1.00 53.20 C ATOM 1353 CG HIS A 87 1.502 -7.538 -7.761 1.00 12.40 C ATOM 1354 ND1 HIS A 87 2.820 -7.571 -7.365 1.00 23.20 N ATOM 1355 CD2 HIS A 87 1.094 -8.834 -7.799 1.00 43.24 C ATOM 1356 CE1 HIS A 87 3.191 -8.817 -7.177 1.00 3.54 C ATOM 1357 NE2 HIS A 87 2.165 -9.602 -7.434 1.00 13.34 N ATOM 0 H HIS A 87 -1.822 -6.702 -7.782 1.00 70.01 H new ATOM 0 HA HIS A 87 0.396 -5.922 -6.018 1.00 33.11 H new ATOM 0 HB2 HIS A 87 0.205 -6.383 -8.976 1.00 53.20 H new ATOM 0 HB3 HIS A 87 1.523 -5.478 -8.259 1.00 53.20 H new ATOM 0 HD2 HIS A 87 0.110 -9.190 -8.067 1.00 43.24 H new ATOM 0 HE1 HIS A 87 4.172 -9.143 -6.864 1.00 3.54 H new ATOM 0 HE2 HIS A 87 2.169 -10.620 -7.371 1.00 13.34 H new ATOM 1366 N LEU A 88 0.145 -3.497 -6.419 1.00 34.32 N ATOM 1367 CA LEU A 88 -0.167 -2.109 -6.498 1.00 41.10 C ATOM 1368 C LEU A 88 1.062 -1.333 -6.842 1.00 30.55 C ATOM 1369 O LEU A 88 2.166 -1.689 -6.418 1.00 42.12 O ATOM 1370 CB LEU A 88 -0.771 -1.596 -5.178 1.00 74.54 C ATOM 1371 CG LEU A 88 -2.121 -2.207 -4.716 1.00 1.04 C ATOM 1372 CD1 LEU A 88 -3.205 -2.036 -5.762 1.00 23.50 C ATOM 1373 CD2 LEU A 88 -1.981 -3.657 -4.307 1.00 30.11 C ATOM 0 H LEU A 88 0.881 -3.736 -5.754 1.00 34.32 H new ATOM 0 HA LEU A 88 -0.912 -1.970 -7.281 1.00 41.10 H new ATOM 0 HB2 LEU A 88 -0.039 -1.763 -4.387 1.00 74.54 H new ATOM 0 HB3 LEU A 88 -0.904 -0.518 -5.267 1.00 74.54 H new ATOM 0 HG LEU A 88 -2.426 -1.649 -3.831 1.00 1.04 H new ATOM 0 HD11 LEU A 88 -4.133 -2.477 -5.399 1.00 23.50 H new ATOM 0 HD12 LEU A 88 -3.359 -0.975 -5.956 1.00 23.50 H new ATOM 0 HD13 LEU A 88 -2.903 -2.533 -6.684 1.00 23.50 H new ATOM 0 HD21 LEU A 88 -2.951 -4.041 -3.992 1.00 30.11 H new ATOM 0 HD22 LEU A 88 -1.617 -4.240 -5.153 1.00 30.11 H new ATOM 0 HD23 LEU A 88 -1.274 -3.735 -3.481 1.00 30.11 H new ATOM 1385 N VAL A 89 0.888 -0.303 -7.618 1.00 54.12 N ATOM 1386 CA VAL A 89 1.982 0.537 -7.997 1.00 5.31 C ATOM 1387 C VAL A 89 1.758 1.945 -7.477 1.00 13.45 C ATOM 1388 O VAL A 89 0.659 2.485 -7.570 1.00 65.24 O ATOM 1389 CB VAL A 89 2.236 0.549 -9.542 1.00 61.14 C ATOM 1390 CG1 VAL A 89 2.667 -0.825 -10.028 1.00 60.43 C ATOM 1391 CG2 VAL A 89 0.996 0.981 -10.299 1.00 71.25 C ATOM 0 H VAL A 89 -0.014 -0.024 -8.004 1.00 54.12 H new ATOM 0 HA VAL A 89 2.881 0.120 -7.543 1.00 5.31 H new ATOM 0 HB VAL A 89 3.034 1.267 -9.734 1.00 61.14 H new ATOM 0 HG11 VAL A 89 2.838 -0.793 -11.104 1.00 60.43 H new ATOM 0 HG12 VAL A 89 3.588 -1.117 -9.523 1.00 60.43 H new ATOM 0 HG13 VAL A 89 1.885 -1.551 -9.806 1.00 60.43 H new ATOM 0 HG21 VAL A 89 1.204 0.979 -11.369 1.00 71.25 H new ATOM 0 HG22 VAL A 89 0.181 0.289 -10.087 1.00 71.25 H new ATOM 0 HG23 VAL A 89 0.710 1.985 -9.986 1.00 71.25 H new ATOM 1401 N ALA A 90 2.780 2.505 -6.901 1.00 11.23 N ATOM 1402 CA ALA A 90 2.725 3.838 -6.373 1.00 41.31 C ATOM 1403 C ALA A 90 3.955 4.596 -6.801 1.00 61.21 C ATOM 1404 O ALA A 90 5.034 4.010 -6.925 1.00 24.24 O ATOM 1405 CB ALA A 90 2.597 3.822 -4.857 1.00 73.32 C ATOM 0 H ALA A 90 3.683 2.047 -6.783 1.00 11.23 H new ATOM 0 HA ALA A 90 1.841 4.339 -6.768 1.00 41.31 H new ATOM 0 HB1 ALA A 90 2.558 4.846 -4.484 1.00 73.32 H new ATOM 0 HB2 ALA A 90 1.684 3.298 -4.574 1.00 73.32 H new ATOM 0 HB3 ALA A 90 3.457 3.311 -4.425 1.00 73.32 H new ATOM 1411 N ARG A 91 3.800 5.868 -7.030 1.00 22.23 N ATOM 1412 CA ARG A 91 4.868 6.746 -7.462 1.00 71.34 C ATOM 1413 C ARG A 91 4.612 8.064 -6.837 1.00 60.22 C ATOM 1414 O ARG A 91 3.442 8.398 -6.621 1.00 53.21 O ATOM 1415 CB ARG A 91 4.873 6.913 -8.994 1.00 15.31 C ATOM 1416 CG ARG A 91 5.311 5.698 -9.788 1.00 75.14 C ATOM 1417 CD ARG A 91 5.153 5.934 -11.285 1.00 34.42 C ATOM 1418 NE ARG A 91 5.832 7.162 -11.750 1.00 43.14 N ATOM 1419 CZ ARG A 91 5.902 7.561 -13.034 1.00 52.03 C ATOM 1420 NH1 ARG A 91 5.490 6.762 -14.013 1.00 43.42 N ATOM 1421 NH2 ARG A 91 6.415 8.742 -13.337 1.00 65.12 N ATOM 0 H ARG A 91 2.905 6.344 -6.920 1.00 22.23 H new ATOM 0 HA ARG A 91 5.832 6.329 -7.171 1.00 71.34 H new ATOM 0 HB2 ARG A 91 3.868 7.190 -9.314 1.00 15.31 H new ATOM 0 HB3 ARG A 91 5.529 7.746 -9.248 1.00 15.31 H new ATOM 0 HG2 ARG A 91 6.352 5.467 -9.561 1.00 75.14 H new ATOM 0 HG3 ARG A 91 4.720 4.832 -9.489 1.00 75.14 H new ATOM 0 HD2 ARG A 91 5.553 5.077 -11.827 1.00 34.42 H new ATOM 0 HD3 ARG A 91 4.092 5.998 -11.527 1.00 34.42 H new ATOM 0 HE ARG A 91 6.280 7.750 -11.047 1.00 43.14 H new ATOM 0 HH11 ARG A 91 5.117 5.838 -13.794 1.00 43.42 H new ATOM 0 HH12 ARG A 91 5.547 7.073 -14.983 1.00 43.42 H new ATOM 0 HH21 ARG A 91 6.759 9.354 -12.597 1.00 65.12 H new ATOM 0 HH22 ARG A 91 6.466 9.041 -14.311 1.00 65.12 H new ATOM 1435 N GLU A 92 5.677 8.796 -6.498 1.00 31.22 N ATOM 1436 CA GLU A 92 5.550 10.124 -5.892 1.00 20.45 C ATOM 1437 C GLU A 92 4.719 10.022 -4.622 1.00 60.25 C ATOM 1438 O GLU A 92 3.986 10.925 -4.259 1.00 11.33 O ATOM 1439 CB GLU A 92 4.939 11.073 -6.924 1.00 52.34 C ATOM 1440 CG GLU A 92 5.838 11.220 -8.145 1.00 10.44 C ATOM 1441 CD GLU A 92 5.225 12.004 -9.259 1.00 4.42 C ATOM 1442 OE1 GLU A 92 5.186 13.251 -9.181 1.00 32.32 O ATOM 1443 OE2 GLU A 92 4.817 11.389 -10.261 1.00 51.42 O ATOM 0 H GLU A 92 6.640 8.490 -6.634 1.00 31.22 H new ATOM 0 HA GLU A 92 6.523 10.524 -5.605 1.00 20.45 H new ATOM 0 HB2 GLU A 92 3.963 10.698 -7.232 1.00 52.34 H new ATOM 0 HB3 GLU A 92 4.776 12.051 -6.470 1.00 52.34 H new ATOM 0 HG2 GLU A 92 6.768 11.703 -7.843 1.00 10.44 H new ATOM 0 HG3 GLU A 92 6.099 10.228 -8.513 1.00 10.44 H new ATOM 1450 N THR A 93 4.895 8.905 -3.929 1.00 64.12 N ATOM 1451 CA THR A 93 4.139 8.624 -2.751 1.00 55.41 C ATOM 1452 C THR A 93 4.911 9.049 -1.481 1.00 34.12 C ATOM 1453 O THR A 93 4.438 8.849 -0.345 1.00 20.34 O ATOM 1454 CB THR A 93 3.710 7.119 -2.685 1.00 23.20 C ATOM 1455 OG1 THR A 93 2.881 6.880 -1.534 1.00 40.43 O ATOM 1456 CG2 THR A 93 4.915 6.188 -2.641 1.00 53.04 C ATOM 0 H THR A 93 5.568 8.180 -4.180 1.00 64.12 H new ATOM 0 HA THR A 93 3.225 9.216 -2.798 1.00 55.41 H new ATOM 0 HB THR A 93 3.146 6.907 -3.593 1.00 23.20 H new ATOM 0 HG1 THR A 93 3.201 7.421 -0.782 1.00 40.43 H new ATOM 0 HG21 THR A 93 4.574 5.154 -2.596 1.00 53.04 H new ATOM 0 HG22 THR A 93 5.519 6.332 -3.537 1.00 53.04 H new ATOM 0 HG23 THR A 93 5.515 6.411 -1.759 1.00 53.04 H new ATOM 1464 N LEU A 94 6.088 9.632 -1.677 1.00 43.43 N ATOM 1465 CA LEU A 94 6.892 10.128 -0.569 1.00 42.42 C ATOM 1466 C LEU A 94 6.768 11.632 -0.457 1.00 42.44 C ATOM 1467 O LEU A 94 6.673 12.331 -1.467 1.00 14.31 O ATOM 1468 CB LEU A 94 8.392 9.736 -0.667 1.00 61.45 C ATOM 1469 CG LEU A 94 8.763 8.252 -0.449 1.00 74.23 C ATOM 1470 CD1 LEU A 94 8.258 7.361 -1.562 1.00 2.11 C ATOM 1471 CD2 LEU A 94 10.256 8.099 -0.282 1.00 60.30 C ATOM 0 H LEU A 94 6.507 9.773 -2.596 1.00 43.43 H new ATOM 0 HA LEU A 94 6.496 9.649 0.327 1.00 42.42 H new ATOM 0 HB2 LEU A 94 8.752 10.030 -1.653 1.00 61.45 H new ATOM 0 HB3 LEU A 94 8.942 10.330 0.063 1.00 61.45 H new ATOM 0 HG LEU A 94 8.268 7.929 0.467 1.00 74.23 H new ATOM 0 HD11 LEU A 94 8.545 6.329 -1.361 1.00 2.11 H new ATOM 0 HD12 LEU A 94 7.172 7.431 -1.619 1.00 2.11 H new ATOM 0 HD13 LEU A 94 8.693 7.680 -2.509 1.00 2.11 H new ATOM 0 HD21 LEU A 94 10.499 7.047 -0.129 1.00 60.30 H new ATOM 0 HD22 LEU A 94 10.761 8.462 -1.177 1.00 60.30 H new ATOM 0 HD23 LEU A 94 10.587 8.677 0.581 1.00 60.30 H new ATOM 1483 N PRO A 95 6.770 12.150 0.769 1.00 24.03 N ATOM 1484 CA PRO A 95 6.653 13.580 1.022 1.00 42.33 C ATOM 1485 C PRO A 95 7.859 14.383 0.533 1.00 65.13 C ATOM 1486 O PRO A 95 9.021 13.967 0.701 1.00 23.52 O ATOM 1487 CB PRO A 95 6.571 13.670 2.556 1.00 13.01 C ATOM 1488 CG PRO A 95 7.179 12.410 3.053 1.00 20.23 C ATOM 1489 CD PRO A 95 6.868 11.372 2.027 1.00 21.14 C ATOM 0 HA PRO A 95 5.796 13.998 0.493 1.00 42.33 H new ATOM 0 HB2 PRO A 95 7.110 14.541 2.929 1.00 13.01 H new ATOM 0 HB3 PRO A 95 5.538 13.767 2.890 1.00 13.01 H new ATOM 0 HG2 PRO A 95 8.256 12.521 3.183 1.00 20.23 H new ATOM 0 HG3 PRO A 95 6.768 12.135 4.024 1.00 20.23 H new ATOM 0 HD2 PRO A 95 7.650 10.615 1.971 1.00 21.14 H new ATOM 0 HD3 PRO A 95 5.937 10.852 2.251 1.00 21.14 H new ATOM 1497 N GLU A 96 7.587 15.497 -0.104 1.00 63.13 N ATOM 1498 CA GLU A 96 8.611 16.448 -0.430 1.00 14.11 C ATOM 1499 C GLU A 96 8.382 17.691 0.401 1.00 30.24 C ATOM 1500 O GLU A 96 7.244 17.944 0.802 1.00 22.14 O ATOM 1501 CB GLU A 96 8.648 16.840 -1.915 1.00 30.32 C ATOM 1502 CG GLU A 96 9.199 15.801 -2.864 1.00 22.12 C ATOM 1503 CD GLU A 96 9.438 16.394 -4.241 1.00 10.03 C ATOM 1504 OE1 GLU A 96 10.288 17.321 -4.354 1.00 3.54 O ATOM 1505 OE2 GLU A 96 8.821 15.936 -5.225 1.00 24.11 O ATOM 0 H GLU A 96 6.651 15.765 -0.408 1.00 63.13 H new ATOM 0 HA GLU A 96 9.569 15.976 -0.213 1.00 14.11 H new ATOM 0 HB2 GLU A 96 7.634 17.088 -2.229 1.00 30.32 H new ATOM 0 HB3 GLU A 96 9.244 17.747 -2.016 1.00 30.32 H new ATOM 0 HG2 GLU A 96 10.133 15.402 -2.469 1.00 22.12 H new ATOM 0 HG3 GLU A 96 8.502 14.966 -2.940 1.00 22.12 H new ATOM 1512 N PRO A 97 9.458 18.458 0.714 1.00 23.23 N ATOM 1513 CA PRO A 97 9.372 19.719 1.465 1.00 51.11 C ATOM 1514 C PRO A 97 8.186 20.594 1.022 1.00 2.23 C ATOM 1515 O PRO A 97 7.291 20.910 1.812 1.00 65.42 O ATOM 1516 CB PRO A 97 10.698 20.436 1.123 1.00 5.23 C ATOM 1517 CG PRO A 97 11.532 19.455 0.341 1.00 21.00 C ATOM 1518 CD PRO A 97 10.851 18.120 0.418 1.00 22.42 C ATOM 0 HA PRO A 97 9.220 19.537 2.529 1.00 51.11 H new ATOM 0 HB2 PRO A 97 10.511 21.337 0.539 1.00 5.23 H new ATOM 0 HB3 PRO A 97 11.215 20.746 2.031 1.00 5.23 H new ATOM 0 HG2 PRO A 97 11.629 19.776 -0.696 1.00 21.00 H new ATOM 0 HG3 PRO A 97 12.540 19.395 0.752 1.00 21.00 H new ATOM 0 HD2 PRO A 97 10.939 17.571 -0.519 1.00 22.42 H new ATOM 0 HD3 PRO A 97 11.285 17.493 1.197 1.00 22.42 H new ATOM 1526 N ASN A 98 8.192 20.969 -0.236 1.00 40.43 N ATOM 1527 CA ASN A 98 7.136 21.792 -0.809 1.00 5.44 C ATOM 1528 C ASN A 98 6.896 21.303 -2.240 1.00 43.12 C ATOM 1529 O ASN A 98 6.215 21.934 -3.038 1.00 11.01 O ATOM 1530 CB ASN A 98 7.615 23.261 -0.809 1.00 31.12 C ATOM 1531 CG ASN A 98 6.542 24.280 -1.174 1.00 34.10 C ATOM 1532 OD1 ASN A 98 6.362 24.636 -2.341 1.00 63.32 O ATOM 1533 ND2 ASN A 98 5.845 24.766 -0.181 1.00 0.53 N ATOM 0 H ASN A 98 8.927 20.715 -0.897 1.00 40.43 H new ATOM 0 HA ASN A 98 6.210 21.722 -0.238 1.00 5.44 H new ATOM 0 HB2 ASN A 98 8.004 23.502 0.180 1.00 31.12 H new ATOM 0 HB3 ASN A 98 8.444 23.359 -1.510 1.00 31.12 H new ATOM 0 HD21 ASN A 98 5.123 25.465 -0.358 1.00 0.53 H new ATOM 0 HD22 ASN A 98 6.023 24.447 0.771 1.00 0.53 H new ATOM 1540 N SER A 99 7.445 20.126 -2.515 1.00 51.03 N ATOM 1541 CA SER A 99 7.458 19.519 -3.832 1.00 25.13 C ATOM 1542 C SER A 99 8.234 20.329 -4.857 1.00 72.24 C ATOM 1543 O SER A 99 7.674 21.140 -5.621 1.00 54.54 O ATOM 1544 CB SER A 99 6.078 19.132 -4.331 1.00 53.31 C ATOM 1545 OG SER A 99 5.513 18.161 -3.496 1.00 12.31 O ATOM 0 H SER A 99 7.905 19.555 -1.806 1.00 51.03 H new ATOM 0 HA SER A 99 8.005 18.585 -3.704 1.00 25.13 H new ATOM 0 HB2 SER A 99 5.436 20.012 -4.363 1.00 53.31 H new ATOM 0 HB3 SER A 99 6.146 18.750 -5.350 1.00 53.31 H new ATOM 0 HG SER A 99 5.040 17.497 -4.040 1.00 12.31 H new ATOM 1551 N GLN A 100 9.529 20.169 -4.812 1.00 12.05 N ATOM 1552 CA GLN A 100 10.405 20.773 -5.783 1.00 30.32 C ATOM 1553 C GLN A 100 10.531 19.876 -7.011 1.00 72.51 C ATOM 1554 O GLN A 100 10.538 20.360 -8.134 1.00 72.50 O ATOM 1555 CB GLN A 100 11.786 21.077 -5.178 1.00 65.54 C ATOM 1556 CG GLN A 100 12.482 19.871 -4.561 1.00 23.43 C ATOM 1557 CD GLN A 100 13.836 20.186 -3.963 1.00 3.13 C ATOM 1558 OE1 GLN A 100 14.015 21.385 -3.469 1.00 4.10 O flip ATOM 1559 NE2 GLN A 100 14.713 19.337 -3.941 1.00 73.23 N flip ATOM 0 H GLN A 100 10.008 19.616 -4.101 1.00 12.05 H new ATOM 0 HA GLN A 100 9.968 21.723 -6.091 1.00 30.32 H new ATOM 0 HB2 GLN A 100 12.427 21.492 -5.956 1.00 65.54 H new ATOM 0 HB3 GLN A 100 11.673 21.846 -4.414 1.00 65.54 H new ATOM 0 HG2 GLN A 100 11.842 19.451 -3.785 1.00 23.43 H new ATOM 0 HG3 GLN A 100 12.603 19.103 -5.325 1.00 23.43 H new ATOM 0 HE21 GLN A 100 14.538 18.413 -4.335 1.00 73.23 H new ATOM 0 HE22 GLN A 100 15.621 19.552 -3.528 1.00 73.23 H new ATOM 1568 N GLY A 101 10.622 18.555 -6.784 1.00 71.33 N ATOM 1569 CA GLY A 101 10.766 17.582 -7.873 1.00 71.31 C ATOM 1570 C GLY A 101 12.103 17.685 -8.608 1.00 21.44 C ATOM 1571 O GLY A 101 12.376 16.923 -9.544 1.00 73.54 O ATOM 0 H GLY A 101 10.598 18.139 -5.853 1.00 71.33 H new ATOM 0 HA2 GLY A 101 10.660 16.576 -7.467 1.00 71.31 H new ATOM 0 HA3 GLY A 101 9.955 17.725 -8.587 1.00 71.31 H new ATOM 1575 N GLN A 102 12.931 18.597 -8.176 1.00 20.43 N ATOM 1576 CA GLN A 102 14.178 18.877 -8.824 1.00 40.22 C ATOM 1577 C GLN A 102 15.274 18.919 -7.774 1.00 63.01 C ATOM 1578 O GLN A 102 15.298 19.803 -6.920 1.00 3.44 O ATOM 1579 CB GLN A 102 14.049 20.215 -9.554 1.00 2.45 C ATOM 1580 CG GLN A 102 15.230 20.617 -10.413 1.00 50.11 C ATOM 1581 CD GLN A 102 14.975 21.937 -11.112 1.00 5.22 C ATOM 1582 OE1 GLN A 102 14.264 22.802 -10.599 1.00 22.35 O ATOM 1583 NE2 GLN A 102 15.525 22.103 -12.274 1.00 53.32 N ATOM 0 H GLN A 102 12.754 19.173 -7.353 1.00 20.43 H new ATOM 0 HA GLN A 102 14.432 18.106 -9.551 1.00 40.22 H new ATOM 0 HB2 GLN A 102 13.161 20.178 -10.185 1.00 2.45 H new ATOM 0 HB3 GLN A 102 13.881 20.996 -8.813 1.00 2.45 H new ATOM 0 HG2 GLN A 102 16.123 20.697 -9.793 1.00 50.11 H new ATOM 0 HG3 GLN A 102 15.425 19.842 -11.154 1.00 50.11 H new ATOM 0 HE21 GLN A 102 16.109 21.367 -12.672 1.00 53.32 H new ATOM 0 HE22 GLN A 102 15.374 22.969 -12.791 1.00 53.32 H new ATOM 1592 N ARG A 103 16.145 17.950 -7.833 1.00 61.40 N ATOM 1593 CA ARG A 103 17.221 17.790 -6.870 1.00 13.03 C ATOM 1594 C ARG A 103 18.393 18.708 -7.190 1.00 14.44 C ATOM 1595 O ARG A 103 19.017 19.283 -6.294 1.00 24.14 O ATOM 1596 CB ARG A 103 17.697 16.338 -6.896 1.00 5.33 C ATOM 1597 CG ARG A 103 18.875 16.040 -5.987 1.00 55.21 C ATOM 1598 CD ARG A 103 19.347 14.616 -6.173 1.00 44.14 C ATOM 1599 NE ARG A 103 20.541 14.318 -5.374 1.00 24.51 N ATOM 1600 CZ ARG A 103 21.407 13.336 -5.647 1.00 71.22 C ATOM 1601 NH1 ARG A 103 21.237 12.577 -6.719 1.00 35.05 N ATOM 1602 NH2 ARG A 103 22.453 13.126 -4.848 1.00 60.53 N ATOM 0 H ARG A 103 16.135 17.234 -8.559 1.00 61.40 H new ATOM 0 HA ARG A 103 16.843 18.053 -5.882 1.00 13.03 H new ATOM 0 HB2 ARG A 103 16.865 15.692 -6.614 1.00 5.33 H new ATOM 0 HB3 ARG A 103 17.970 16.078 -7.919 1.00 5.33 H new ATOM 0 HG2 ARG A 103 19.691 16.730 -6.203 1.00 55.21 H new ATOM 0 HG3 ARG A 103 18.588 16.201 -4.948 1.00 55.21 H new ATOM 0 HD2 ARG A 103 18.546 13.931 -5.896 1.00 44.14 H new ATOM 0 HD3 ARG A 103 19.565 14.442 -7.227 1.00 44.14 H new ATOM 0 HE ARG A 103 20.723 14.899 -4.555 1.00 24.51 H new ATOM 0 HH11 ARG A 103 20.444 12.741 -7.339 1.00 35.05 H new ATOM 0 HH12 ARG A 103 21.899 11.829 -6.924 1.00 35.05 H new ATOM 0 HH21 ARG A 103 22.594 13.715 -4.027 1.00 60.53 H new ATOM 0 HH22 ARG A 103 23.113 12.377 -5.058 1.00 60.53 H new ATOM 1616 N ASN A 104 18.679 18.844 -8.446 1.00 54.53 N ATOM 1617 CA ASN A 104 19.836 19.597 -8.896 1.00 44.11 C ATOM 1618 C ASN A 104 19.466 21.082 -9.110 1.00 40.14 C ATOM 1619 O ASN A 104 18.282 21.446 -9.000 1.00 25.10 O ATOM 1620 CB ASN A 104 20.344 18.959 -10.198 1.00 70.40 C ATOM 1621 CG ASN A 104 21.607 19.580 -10.716 1.00 62.03 C ATOM 1622 OD1 ASN A 104 22.450 20.051 -9.938 1.00 31.20 O ATOM 1623 ND2 ASN A 104 21.751 19.605 -12.002 1.00 65.25 N ATOM 0 H ASN A 104 18.124 18.440 -9.200 1.00 54.53 H new ATOM 0 HA ASN A 104 20.623 19.567 -8.142 1.00 44.11 H new ATOM 0 HB2 ASN A 104 20.514 17.896 -10.030 1.00 70.40 H new ATOM 0 HB3 ASN A 104 19.569 19.041 -10.960 1.00 70.40 H new ATOM 0 HD21 ASN A 104 22.585 20.025 -12.414 1.00 65.25 H new ATOM 0 HD22 ASN A 104 21.031 19.205 -12.604 1.00 65.25 H new ATOM 1630 N ARG A 105 20.477 21.941 -9.387 1.00 34.12 N ATOM 1631 CA ARG A 105 20.255 23.349 -9.683 1.00 32.13 C ATOM 1632 C ARG A 105 19.274 23.476 -10.821 1.00 23.41 C ATOM 1633 O ARG A 105 18.259 24.191 -10.716 1.00 51.45 O ATOM 1634 CB ARG A 105 21.546 24.007 -10.123 1.00 14.12 C ATOM 1635 CG ARG A 105 21.344 25.444 -10.554 1.00 14.01 C ATOM 1636 CD ARG A 105 22.565 25.989 -11.205 1.00 22.22 C ATOM 1637 NE ARG A 105 22.362 27.372 -11.667 1.00 0.12 N ATOM 1638 CZ ARG A 105 23.083 27.986 -12.619 1.00 33.32 C ATOM 1639 NH1 ARG A 105 24.117 27.361 -13.192 1.00 23.34 N ATOM 1640 NH2 ARG A 105 22.774 29.226 -12.988 1.00 55.32 N ATOM 0 H ARG A 105 21.459 21.664 -9.408 1.00 34.12 H new ATOM 0 HA ARG A 105 19.875 23.829 -8.781 1.00 32.13 H new ATOM 0 HB2 ARG A 105 22.265 23.974 -9.304 1.00 14.12 H new ATOM 0 HB3 ARG A 105 21.977 23.440 -10.948 1.00 14.12 H new ATOM 0 HG2 ARG A 105 20.503 25.504 -11.245 1.00 14.01 H new ATOM 0 HG3 ARG A 105 21.088 26.054 -9.687 1.00 14.01 H new ATOM 0 HD2 ARG A 105 23.397 25.958 -10.502 1.00 22.22 H new ATOM 0 HD3 ARG A 105 22.839 25.359 -12.051 1.00 22.22 H new ATOM 0 HE ARG A 105 21.613 27.907 -11.228 1.00 0.12 H new ATOM 0 HH11 ARG A 105 24.362 26.413 -12.906 1.00 23.34 H new ATOM 0 HH12 ARG A 105 24.661 27.832 -13.915 1.00 23.34 H new ATOM 0 HH21 ARG A 105 21.991 29.709 -12.548 1.00 55.32 H new ATOM 0 HH22 ARG A 105 23.320 29.694 -13.711 1.00 55.32 H new ATOM 1654 N GLU A 106 19.560 22.778 -11.894 1.00 35.53 N ATOM 1655 CA GLU A 106 18.688 22.760 -13.013 1.00 62.20 C ATOM 1656 C GLU A 106 18.577 21.374 -13.616 1.00 71.24 C ATOM 1657 O GLU A 106 17.626 20.634 -13.321 1.00 73.02 O ATOM 1658 CB GLU A 106 19.107 23.776 -14.083 1.00 1.21 C ATOM 1659 CG GLU A 106 18.206 23.772 -15.307 1.00 25.51 C ATOM 1660 CD GLU A 106 18.634 24.751 -16.348 1.00 13.13 C ATOM 1661 OE1 GLU A 106 19.458 24.392 -17.225 1.00 35.51 O ATOM 1662 OE2 GLU A 106 18.144 25.886 -16.317 1.00 34.22 O ATOM 0 H GLU A 106 20.403 22.214 -12.003 1.00 35.53 H new ATOM 0 HA GLU A 106 17.704 23.049 -12.643 1.00 62.20 H new ATOM 0 HB2 GLU A 106 19.107 24.774 -13.645 1.00 1.21 H new ATOM 0 HB3 GLU A 106 20.130 23.564 -14.394 1.00 1.21 H new ATOM 0 HG2 GLU A 106 18.194 22.772 -15.740 1.00 25.51 H new ATOM 0 HG3 GLU A 106 17.185 23.999 -15.001 1.00 25.51 H new ATOM 1669 N LYS A 107 19.565 20.997 -14.401 1.00 4.10 N ATOM 1670 CA LYS A 107 19.479 19.809 -15.207 1.00 42.34 C ATOM 1671 C LYS A 107 20.818 19.660 -15.914 1.00 70.21 C ATOM 1672 O LYS A 107 21.684 20.524 -15.750 1.00 24.12 O ATOM 1673 CB LYS A 107 18.345 20.061 -16.227 1.00 32.31 C ATOM 1674 CG LYS A 107 17.880 18.902 -17.075 1.00 21.42 C ATOM 1675 CD LYS A 107 16.751 19.380 -17.963 1.00 72.43 C ATOM 1676 CE LYS A 107 16.175 18.279 -18.809 1.00 33.04 C ATOM 1677 NZ LYS A 107 15.115 18.794 -19.702 1.00 64.55 N ATOM 0 H LYS A 107 20.444 21.506 -14.494 1.00 4.10 H new ATOM 0 HA LYS A 107 19.270 18.905 -14.635 1.00 42.34 H new ATOM 0 HB2 LYS A 107 17.482 20.440 -15.679 1.00 32.31 H new ATOM 0 HB3 LYS A 107 18.671 20.855 -16.898 1.00 32.31 H new ATOM 0 HG2 LYS A 107 18.703 18.521 -17.680 1.00 21.42 H new ATOM 0 HG3 LYS A 107 17.543 18.081 -16.442 1.00 21.42 H new ATOM 0 HD2 LYS A 107 15.963 19.807 -17.344 1.00 72.43 H new ATOM 0 HD3 LYS A 107 17.116 20.178 -18.610 1.00 72.43 H new ATOM 0 HE2 LYS A 107 16.966 17.822 -19.404 1.00 33.04 H new ATOM 0 HE3 LYS A 107 15.767 17.498 -18.167 1.00 33.04 H new ATOM 0 HZ1 LYS A 107 14.734 18.014 -20.275 1.00 64.55 H new ATOM 0 HZ2 LYS A 107 14.351 19.209 -19.131 1.00 64.55 H new ATOM 0 HZ3 LYS A 107 15.513 19.522 -20.329 1.00 64.55 H new ATOM 1691 N THR A 108 20.987 18.596 -16.684 1.00 34.53 N ATOM 1692 CA THR A 108 22.215 18.342 -17.416 1.00 50.41 C ATOM 1693 C THR A 108 22.579 19.517 -18.335 1.00 63.42 C ATOM 1694 O THR A 108 21.846 19.844 -19.266 1.00 65.14 O ATOM 1695 CB THR A 108 22.091 17.044 -18.226 1.00 15.35 C ATOM 1696 OG1 THR A 108 20.871 17.072 -18.996 1.00 52.52 O ATOM 1697 CG2 THR A 108 22.084 15.838 -17.302 1.00 53.43 C ATOM 0 H THR A 108 20.271 17.882 -16.818 1.00 34.53 H new ATOM 0 HA THR A 108 23.020 18.232 -16.690 1.00 50.41 H new ATOM 0 HB THR A 108 22.947 16.965 -18.896 1.00 15.35 H new ATOM 0 HG1 THR A 108 20.777 17.947 -19.428 1.00 52.52 H new ATOM 0 HG21 THR A 108 21.995 14.927 -17.894 1.00 53.43 H new ATOM 0 HG22 THR A 108 23.012 15.811 -16.731 1.00 53.43 H new ATOM 0 HG23 THR A 108 21.239 15.909 -16.617 1.00 53.43 H new ATOM 1705 N GLY A 109 23.686 20.137 -18.044 1.00 3.01 N ATOM 1706 CA GLY A 109 24.127 21.298 -18.767 1.00 74.14 C ATOM 1707 C GLY A 109 24.468 22.375 -17.784 1.00 43.54 C ATOM 1708 O GLY A 109 25.484 23.061 -17.916 1.00 31.24 O ATOM 0 H GLY A 109 24.314 19.850 -17.293 1.00 3.01 H new ATOM 0 HA2 GLY A 109 24.996 21.055 -19.378 1.00 74.14 H new ATOM 0 HA3 GLY A 109 23.346 21.640 -19.446 1.00 74.14 H new ATOM 1712 N GLU A 110 23.615 22.473 -16.775 1.00 22.43 N ATOM 1713 CA GLU A 110 23.728 23.374 -15.628 1.00 2.54 C ATOM 1714 C GLU A 110 23.818 24.846 -16.050 1.00 34.25 C ATOM 1715 O GLU A 110 24.911 25.363 -16.334 1.00 62.22 O ATOM 1716 CB GLU A 110 24.918 23.000 -14.759 1.00 35.41 C ATOM 1717 CG GLU A 110 24.663 23.234 -13.305 1.00 45.23 C ATOM 1718 CD GLU A 110 23.551 22.333 -12.835 1.00 54.13 C ATOM 1719 OE1 GLU A 110 23.828 21.152 -12.568 1.00 14.55 O ATOM 1720 OE2 GLU A 110 22.391 22.775 -12.771 1.00 31.13 O ATOM 0 H GLU A 110 22.776 21.895 -16.728 1.00 22.43 H new ATOM 0 HA GLU A 110 22.814 23.257 -15.045 1.00 2.54 H new ATOM 0 HB2 GLU A 110 25.163 21.950 -14.917 1.00 35.41 H new ATOM 0 HB3 GLU A 110 25.787 23.580 -15.070 1.00 35.41 H new ATOM 0 HG2 GLU A 110 25.569 23.040 -12.731 1.00 45.23 H new ATOM 0 HG3 GLU A 110 24.396 24.277 -13.136 1.00 45.23 H new ATOM 1727 N SER A 111 22.691 25.506 -16.097 1.00 13.43 N ATOM 1728 CA SER A 111 22.586 26.892 -16.543 1.00 10.52 C ATOM 1729 C SER A 111 21.236 27.446 -16.080 1.00 54.53 C ATOM 1730 O SER A 111 20.664 26.947 -15.102 1.00 44.50 O ATOM 1731 CB SER A 111 22.664 26.941 -18.092 1.00 45.15 C ATOM 1732 OG SER A 111 23.915 26.451 -18.580 1.00 42.55 O ATOM 0 H SER A 111 21.797 25.098 -15.824 1.00 13.43 H new ATOM 0 HA SER A 111 23.398 27.487 -16.126 1.00 10.52 H new ATOM 0 HB2 SER A 111 21.853 26.349 -18.515 1.00 45.15 H new ATOM 0 HB3 SER A 111 22.520 27.967 -18.430 1.00 45.15 H new ATOM 0 HG SER A 111 24.533 26.328 -17.830 1.00 42.55 H new ATOM 1738 N ASN A 112 20.767 28.492 -16.730 1.00 63.10 N ATOM 1739 CA ASN A 112 19.441 28.998 -16.482 1.00 22.43 C ATOM 1740 C ASN A 112 18.674 28.954 -17.787 1.00 74.34 C ATOM 1741 O ASN A 112 18.692 29.907 -18.582 1.00 42.22 O ATOM 1742 CB ASN A 112 19.460 30.421 -15.873 1.00 1.52 C ATOM 1743 CG ASN A 112 18.066 30.989 -15.532 1.00 61.11 C ATOM 1744 OD1 ASN A 112 17.057 30.706 -16.184 1.00 61.55 O ATOM 1745 ND2 ASN A 112 18.005 31.792 -14.510 1.00 51.01 N ATOM 0 H ASN A 112 21.291 29.008 -17.437 1.00 63.10 H new ATOM 0 HA ASN A 112 18.947 28.373 -15.739 1.00 22.43 H new ATOM 0 HB2 ASN A 112 20.064 30.406 -14.966 1.00 1.52 H new ATOM 0 HB3 ASN A 112 19.952 31.096 -16.573 1.00 1.52 H new ATOM 0 HD21 ASN A 112 17.112 32.200 -14.235 1.00 51.01 H new ATOM 0 HD22 ASN A 112 18.851 32.013 -13.984 1.00 51.01 H new ATOM 1752 N CYS A 113 18.074 27.828 -18.037 1.00 70.25 N ATOM 1753 CA CYS A 113 17.348 27.606 -19.237 1.00 14.33 C ATOM 1754 C CYS A 113 15.894 27.995 -19.071 1.00 74.12 C ATOM 1755 O CYS A 113 15.050 27.197 -18.625 1.00 35.12 O ATOM 1756 CB CYS A 113 17.478 26.154 -19.689 1.00 44.31 C ATOM 1757 SG CYS A 113 19.191 25.602 -19.893 1.00 15.14 S ATOM 0 H CYS A 113 18.079 27.031 -17.400 1.00 70.25 H new ATOM 0 HA CYS A 113 17.777 28.240 -20.013 1.00 14.33 H new ATOM 0 HB2 CYS A 113 16.983 25.511 -18.961 1.00 44.31 H new ATOM 0 HB3 CYS A 113 16.951 26.029 -20.635 1.00 44.31 H new ATOM 0 HG CYS A 113 19.539 24.879 -18.870 1.00 15.14 H new ATOM 1763 N CYS A 114 15.627 29.230 -19.350 1.00 74.11 N ATOM 1764 CA CYS A 114 14.304 29.755 -19.359 1.00 70.21 C ATOM 1765 C CYS A 114 14.125 30.431 -20.688 1.00 60.33 C ATOM 1766 O CYS A 114 14.600 31.557 -20.894 1.00 2.14 O ATOM 1767 CB CYS A 114 14.094 30.742 -18.199 1.00 43.30 C ATOM 1768 SG CYS A 114 12.445 31.478 -18.127 1.00 50.05 S ATOM 0 H CYS A 114 16.343 29.918 -19.584 1.00 74.11 H new ATOM 0 HA CYS A 114 13.567 28.964 -19.223 1.00 70.21 H new ATOM 0 HB2 CYS A 114 14.288 30.225 -17.259 1.00 43.30 H new ATOM 0 HB3 CYS A 114 14.831 31.541 -18.281 1.00 43.30 H new ATOM 0 HG CYS A 114 12.376 32.290 -17.114 1.00 50.05 H new ATOM 1774 N VAL A 115 13.507 29.735 -21.609 1.00 1.34 N ATOM 1775 CA VAL A 115 13.391 30.229 -22.953 1.00 72.15 C ATOM 1776 C VAL A 115 12.341 31.313 -23.102 1.00 75.10 C ATOM 1777 O VAL A 115 11.137 31.053 -23.153 1.00 25.00 O ATOM 1778 CB VAL A 115 13.229 29.098 -24.028 1.00 32.20 C ATOM 1779 CG1 VAL A 115 14.486 28.248 -24.083 1.00 63.24 C ATOM 1780 CG2 VAL A 115 12.023 28.208 -23.743 1.00 41.14 C ATOM 0 H VAL A 115 13.077 28.824 -21.450 1.00 1.34 H new ATOM 0 HA VAL A 115 14.353 30.700 -23.157 1.00 72.15 H new ATOM 0 HB VAL A 115 13.067 29.584 -24.990 1.00 32.20 H new ATOM 0 HG11 VAL A 115 14.364 27.466 -24.832 1.00 63.24 H new ATOM 0 HG12 VAL A 115 15.338 28.875 -24.348 1.00 63.24 H new ATOM 0 HG13 VAL A 115 14.660 27.793 -23.108 1.00 63.24 H new ATOM 0 HG21 VAL A 115 11.949 27.439 -24.512 1.00 41.14 H new ATOM 0 HG22 VAL A 115 12.142 27.736 -22.768 1.00 41.14 H new ATOM 0 HG23 VAL A 115 11.116 28.812 -23.746 1.00 41.14 H new ATOM 1790 N ILE A 116 12.801 32.526 -23.111 1.00 75.35 N ATOM 1791 CA ILE A 116 11.958 33.660 -23.342 1.00 14.44 C ATOM 1792 C ILE A 116 12.232 34.193 -24.747 1.00 21.14 C ATOM 1793 O ILE A 116 13.137 34.995 -24.977 1.00 34.21 O ATOM 1794 CB ILE A 116 12.109 34.762 -22.231 1.00 73.11 C ATOM 1795 CG1 ILE A 116 11.266 36.012 -22.562 1.00 35.43 C ATOM 1796 CG2 ILE A 116 13.580 35.112 -21.961 1.00 33.22 C ATOM 1797 CD1 ILE A 116 11.339 37.108 -21.514 1.00 22.44 C ATOM 0 H ILE A 116 13.782 32.760 -22.957 1.00 75.35 H new ATOM 0 HA ILE A 116 10.915 33.349 -23.280 1.00 14.44 H new ATOM 0 HB ILE A 116 11.717 34.343 -21.304 1.00 73.11 H new ATOM 0 HG12 ILE A 116 11.597 36.417 -23.518 1.00 35.43 H new ATOM 0 HG13 ILE A 116 10.225 35.712 -22.686 1.00 35.43 H new ATOM 0 HG21 ILE A 116 13.636 35.877 -21.187 1.00 33.22 H new ATOM 0 HG22 ILE A 116 14.111 34.220 -21.629 1.00 33.22 H new ATOM 0 HG23 ILE A 116 14.038 35.487 -22.876 1.00 33.22 H new ATOM 0 HD11 ILE A 116 10.719 37.949 -21.824 1.00 22.44 H new ATOM 0 HD12 ILE A 116 10.979 36.724 -20.560 1.00 22.44 H new ATOM 0 HD13 ILE A 116 12.372 37.439 -21.405 1.00 22.44 H new ATOM 1809 N LEU A 117 11.511 33.664 -25.686 1.00 54.13 N ATOM 1810 CA LEU A 117 11.711 33.988 -27.072 1.00 5.02 C ATOM 1811 C LEU A 117 10.590 34.870 -27.561 1.00 64.12 C ATOM 1812 O LEU A 117 10.744 36.102 -27.542 1.00 37.90 O ATOM 1813 CB LEU A 117 11.784 32.698 -27.898 1.00 2.12 C ATOM 1814 CG LEU A 117 12.878 31.700 -27.499 1.00 14.11 C ATOM 1815 CD1 LEU A 117 12.789 30.449 -28.348 1.00 40.11 C ATOM 1816 CD2 LEU A 117 14.260 32.327 -27.622 1.00 62.14 C ATOM 1817 OXT LEU A 117 9.534 34.337 -27.955 1.00 37.90 O ATOM 0 H LEU A 117 10.763 32.992 -25.516 1.00 54.13 H new ATOM 0 HA LEU A 117 12.650 34.530 -27.186 1.00 5.02 H new ATOM 0 HB2 LEU A 117 10.820 32.194 -27.832 1.00 2.12 H new ATOM 0 HB3 LEU A 117 11.932 32.968 -28.944 1.00 2.12 H new ATOM 0 HG LEU A 117 12.721 31.426 -26.456 1.00 14.11 H new ATOM 0 HD11 LEU A 117 13.573 29.752 -28.052 1.00 40.11 H new ATOM 0 HD12 LEU A 117 11.815 29.982 -28.206 1.00 40.11 H new ATOM 0 HD13 LEU A 117 12.916 30.712 -29.398 1.00 40.11 H new ATOM 0 HD21 LEU A 117 15.017 31.598 -27.333 1.00 62.14 H new ATOM 0 HD22 LEU A 117 14.429 32.636 -28.654 1.00 62.14 H new ATOM 0 HD23 LEU A 117 14.325 33.196 -26.967 1.00 62.14 H new TER 1829 LEU A 117