USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 612 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 39 LYS NZ :NH3+ -153:sc= 1.2 (180deg=-0.0779) USER MOD Set 1.2: A 72 GLN : amide:sc= 1.11 K(o=2.3,f=-7.8!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.24 K(o=1,f=-7.9!) USER MOD Set 3.1: A 42 SER OG : rot 170:sc= 0.0925 USER MOD Set 3.2: A 44 GLN : amide:sc=-0.00334 K(o=0.089,f=-0.88) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 11:sc= 0.675 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 8 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.28) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 10 GLN : amide:sc= -0.911 K(o=-0.91,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.0092) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -97:sc= -0.226 USER MOD Single : A 28 SER OG : rot 39:sc= 0.0636 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.7) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 1.06 (180deg=0.987) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0921 USER MOD Single : A 54 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.33) USER MOD Single : A 56 MET CE :methyl 161:sc= -0.124 (180deg=-0.678) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 67 HIS : no HD1:sc=-0.00798 X(o=-0.008,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 39:sc= 0.0743 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0.999 (180deg=0.777) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.774 -1.258 -1.836 1.00 72.44 N ATOM 2 CA PRO A 1 -7.315 -0.304 -2.874 1.00 63.23 C ATOM 3 C PRO A 1 -8.475 0.560 -3.363 1.00 50.34 C ATOM 4 O PRO A 1 -8.425 1.789 -3.278 1.00 54.34 O ATOM 5 CB PRO A 1 -6.704 -1.084 -4.026 1.00 35.02 C ATOM 6 CG PRO A 1 -6.509 -2.441 -3.455 1.00 24.21 C ATOM 7 CD PRO A 1 -7.578 -2.610 -2.398 1.00 63.42 C ATOM 0 H2 PRO A 1 -8.755 -1.099 -1.604 1.00 72.44 H new ATOM 0 H3 PRO A 1 -7.241 -1.142 -0.974 1.00 72.44 H new ATOM 0 HA PRO A 1 -6.564 0.361 -2.448 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -7.364 -1.104 -4.893 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -5.761 -0.646 -4.353 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -6.600 -3.205 -4.227 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -5.514 -2.542 -3.022 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -8.502 -2.997 -2.829 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -7.265 -3.316 -1.629 1.00 63.42 H new ATOM 17 N GLY A 2 -9.506 -0.089 -3.892 1.00 35.53 N ATOM 18 CA GLY A 2 -10.731 0.602 -4.242 1.00 24.52 C ATOM 19 C GLY A 2 -10.563 1.596 -5.373 1.00 1.40 C ATOM 20 O GLY A 2 -10.317 1.212 -6.516 1.00 22.44 O ATOM 0 H GLY A 2 -9.514 -1.090 -4.086 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -11.485 -0.133 -4.524 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -11.108 1.125 -3.363 1.00 24.52 H new ATOM 24 N SER A 3 -10.665 2.873 -5.031 1.00 10.13 N ATOM 25 CA SER A 3 -10.715 3.957 -6.010 1.00 12.40 C ATOM 26 C SER A 3 -9.429 4.056 -6.832 1.00 50.22 C ATOM 27 O SER A 3 -9.443 4.574 -7.949 1.00 24.11 O ATOM 28 CB SER A 3 -10.971 5.276 -5.279 1.00 44.31 C ATOM 29 OG SER A 3 -11.324 6.321 -6.174 1.00 54.01 O ATOM 0 H SER A 3 -10.716 3.191 -4.063 1.00 10.13 H new ATOM 0 HA SER A 3 -11.525 3.745 -6.708 1.00 12.40 H new ATOM 0 HB2 SER A 3 -11.770 5.137 -4.550 1.00 44.31 H new ATOM 0 HB3 SER A 3 -10.078 5.561 -4.723 1.00 44.31 H new ATOM 0 HG SER A 3 -11.481 7.146 -5.668 1.00 54.01 H new ATOM 35 N MET A 4 -8.325 3.563 -6.284 1.00 64.30 N ATOM 36 CA MET A 4 -7.037 3.640 -6.972 1.00 73.21 C ATOM 37 C MET A 4 -6.887 2.506 -7.980 1.00 42.35 C ATOM 38 O MET A 4 -5.921 2.460 -8.745 1.00 54.24 O ATOM 39 CB MET A 4 -5.885 3.607 -5.967 1.00 72.52 C ATOM 40 CG MET A 4 -5.843 4.819 -5.052 1.00 21.33 C ATOM 41 SD MET A 4 -4.408 4.819 -3.961 1.00 14.12 S ATOM 42 CE MET A 4 -4.634 6.381 -3.115 1.00 12.30 C ATOM 0 H MET A 4 -8.292 3.108 -5.372 1.00 64.30 H new ATOM 0 HA MET A 4 -7.003 4.586 -7.512 1.00 73.21 H new ATOM 0 HB2 MET A 4 -5.969 2.706 -5.359 1.00 72.52 H new ATOM 0 HB3 MET A 4 -4.942 3.539 -6.510 1.00 72.52 H new ATOM 0 HG2 MET A 4 -5.834 5.726 -5.657 1.00 21.33 H new ATOM 0 HG3 MET A 4 -6.751 4.846 -4.450 1.00 21.33 H new ATOM 0 HE1 MET A 4 -3.823 6.529 -2.402 1.00 12.30 H new ATOM 0 HE2 MET A 4 -4.630 7.193 -3.843 1.00 12.30 H new ATOM 0 HE3 MET A 4 -5.586 6.373 -2.585 1.00 12.30 H new ATOM 52 N THR A 5 -7.852 1.603 -7.986 1.00 5.32 N ATOM 53 CA THR A 5 -7.839 0.470 -8.893 1.00 22.53 C ATOM 54 C THR A 5 -9.134 0.423 -9.697 1.00 65.22 C ATOM 55 O THR A 5 -10.045 1.211 -9.454 1.00 62.04 O ATOM 56 CB THR A 5 -7.661 -0.854 -8.125 1.00 42.10 C ATOM 57 OG1 THR A 5 -8.565 -0.895 -7.010 1.00 71.41 O ATOM 58 CG2 THR A 5 -6.227 -1.016 -7.637 1.00 53.01 C ATOM 0 H THR A 5 -8.662 1.634 -7.366 1.00 5.32 H new ATOM 0 HA THR A 5 -6.995 0.594 -9.571 1.00 22.53 H new ATOM 0 HB THR A 5 -7.884 -1.677 -8.805 1.00 42.10 H new ATOM 0 HG1 THR A 5 -9.206 -0.157 -7.081 1.00 71.41 H new ATOM 0 HG21 THR A 5 -6.130 -1.959 -7.098 1.00 53.01 H new ATOM 0 HG22 THR A 5 -5.550 -1.015 -8.491 1.00 53.01 H new ATOM 0 HG23 THR A 5 -5.974 -0.191 -6.972 1.00 53.01 H new ATOM 66 N VAL A 6 -9.213 -0.489 -10.651 1.00 4.20 N ATOM 67 CA VAL A 6 -10.419 -0.645 -11.443 1.00 13.52 C ATOM 68 C VAL A 6 -10.971 -2.056 -11.314 1.00 40.55 C ATOM 69 O VAL A 6 -10.232 -3.037 -11.384 1.00 4.41 O ATOM 70 CB VAL A 6 -10.183 -0.317 -12.937 1.00 75.41 C ATOM 71 CG1 VAL A 6 -9.934 1.172 -13.127 1.00 44.14 C ATOM 72 CG2 VAL A 6 -9.020 -1.127 -13.498 1.00 12.15 C ATOM 0 H VAL A 6 -8.458 -1.130 -10.895 1.00 4.20 H new ATOM 0 HA VAL A 6 -11.145 0.067 -11.051 1.00 13.52 H new ATOM 0 HB VAL A 6 -11.084 -0.591 -13.487 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -9.770 1.382 -14.184 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -10.800 1.733 -12.775 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -9.053 1.469 -12.558 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -8.876 -0.877 -14.549 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -8.112 -0.893 -12.942 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -9.239 -2.191 -13.405 1.00 12.15 H new ATOM 82 N THR A 7 -12.267 -2.146 -11.084 1.00 31.41 N ATOM 83 CA THR A 7 -12.946 -3.423 -11.042 1.00 35.31 C ATOM 84 C THR A 7 -13.908 -3.520 -12.220 1.00 31.42 C ATOM 85 O THR A 7 -14.192 -2.513 -12.880 1.00 72.04 O ATOM 86 CB THR A 7 -13.713 -3.616 -9.711 1.00 54.51 C ATOM 87 OG1 THR A 7 -14.294 -4.927 -9.654 1.00 5.41 O ATOM 88 CG2 THR A 7 -14.805 -2.568 -9.551 1.00 10.33 C ATOM 0 H THR A 7 -12.873 -1.342 -10.922 1.00 31.41 H new ATOM 0 HA THR A 7 -12.198 -4.213 -11.108 1.00 35.31 H new ATOM 0 HB THR A 7 -12.998 -3.502 -8.896 1.00 54.51 H new ATOM 0 HG1 THR A 7 -14.774 -5.035 -8.807 1.00 5.41 H new ATOM 0 HG21 THR A 7 -15.327 -2.728 -8.608 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.358 -1.574 -9.555 1.00 10.33 H new ATOM 0 HG23 THR A 7 -15.513 -2.651 -10.376 1.00 10.33 H new ATOM 96 N GLN A 8 -14.407 -4.714 -12.487 1.00 3.23 N ATOM 97 CA GLN A 8 -15.365 -4.902 -13.558 1.00 50.02 C ATOM 98 C GLN A 8 -16.732 -4.395 -13.120 1.00 1.14 C ATOM 99 O GLN A 8 -17.520 -5.130 -12.525 1.00 72.35 O ATOM 100 CB GLN A 8 -15.440 -6.374 -13.976 1.00 43.14 C ATOM 101 CG GLN A 8 -14.122 -6.921 -14.503 1.00 33.25 C ATOM 102 CD GLN A 8 -13.557 -6.089 -15.640 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.789 -5.156 -15.419 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.936 -6.419 -16.865 1.00 54.35 N ATOM 0 H GLN A 8 -14.165 -5.564 -11.978 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.036 -4.329 -14.425 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -15.756 -6.971 -13.121 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.205 -6.487 -14.744 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.397 -6.958 -13.690 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.269 -7.945 -14.846 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.575 -7.201 -17.008 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.588 -5.892 -17.666 1.00 54.35 H new ATOM 113 N SER A 9 -16.985 -3.122 -13.396 1.00 52.14 N ATOM 114 CA SER A 9 -18.220 -2.466 -12.993 1.00 2.52 C ATOM 115 C SER A 9 -19.439 -3.158 -13.589 1.00 0.31 C ATOM 116 O SER A 9 -20.485 -3.237 -12.954 1.00 54.11 O ATOM 117 CB SER A 9 -18.172 -0.999 -13.411 1.00 33.54 C ATOM 118 OG SER A 9 -17.469 -0.855 -14.635 1.00 75.12 O ATOM 0 H SER A 9 -16.340 -2.517 -13.905 1.00 52.14 H new ATOM 0 HA SER A 9 -18.312 -2.531 -11.909 1.00 2.52 H new ATOM 0 HB2 SER A 9 -19.185 -0.612 -13.519 1.00 33.54 H new ATOM 0 HB3 SER A 9 -17.686 -0.409 -12.634 1.00 33.54 H new ATOM 0 HG SER A 9 -17.448 0.091 -14.891 1.00 75.12 H new ATOM 124 N GLN A 10 -19.289 -3.672 -14.803 1.00 65.43 N ATOM 125 CA GLN A 10 -20.367 -4.391 -15.465 1.00 50.30 C ATOM 126 C GLN A 10 -20.707 -5.661 -14.687 1.00 24.22 C ATOM 127 O GLN A 10 -21.873 -6.014 -14.542 1.00 13.03 O ATOM 128 CB GLN A 10 -19.965 -4.706 -16.911 1.00 3.51 C ATOM 129 CG GLN A 10 -21.040 -5.388 -17.745 1.00 31.21 C ATOM 130 CD GLN A 10 -21.047 -6.898 -17.592 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.012 -7.512 -17.337 1.00 43.14 O ATOM 132 NE2 GLN A 10 -22.212 -7.503 -17.756 1.00 21.05 N ATOM 0 H GLN A 10 -18.430 -3.604 -15.349 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.262 -3.769 -15.489 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.680 -3.776 -17.403 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -19.080 -5.343 -16.896 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -22.016 -4.996 -17.459 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.890 -5.136 -18.795 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -23.046 -6.955 -17.967 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -22.276 -8.517 -17.672 1.00 21.05 H new ATOM 141 N LEU A 11 -19.682 -6.321 -14.160 1.00 1.21 N ATOM 142 CA LEU A 11 -19.875 -7.530 -13.366 1.00 12.41 C ATOM 143 C LEU A 11 -20.552 -7.189 -12.042 1.00 54.11 C ATOM 144 O LEU A 11 -21.557 -7.803 -11.669 1.00 71.13 O ATOM 145 CB LEU A 11 -18.531 -8.224 -13.109 1.00 53.43 C ATOM 146 CG LEU A 11 -18.612 -9.544 -12.336 1.00 4.24 C ATOM 147 CD1 LEU A 11 -19.379 -10.589 -13.132 1.00 55.21 C ATOM 148 CD2 LEU A 11 -17.215 -10.046 -12.000 1.00 61.15 C ATOM 0 H LEU A 11 -18.708 -6.039 -14.268 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.517 -8.212 -13.924 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.049 -8.413 -14.068 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.887 -7.539 -12.558 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.150 -9.365 -11.405 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -19.424 -11.518 -12.564 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -20.391 -10.231 -13.323 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -18.873 -10.768 -14.081 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -17.288 -10.985 -11.451 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -16.655 -10.207 -12.921 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -16.700 -9.306 -11.387 1.00 61.15 H new ATOM 160 N GLU A 12 -19.997 -6.200 -11.345 1.00 14.13 N ATOM 161 CA GLU A 12 -20.581 -5.704 -10.100 1.00 13.33 C ATOM 162 C GLU A 12 -22.048 -5.338 -10.310 1.00 23.45 C ATOM 163 O GLU A 12 -22.929 -5.799 -9.582 1.00 35.24 O ATOM 164 CB GLU A 12 -19.816 -4.472 -9.609 1.00 72.23 C ATOM 165 CG GLU A 12 -18.408 -4.761 -9.104 1.00 2.41 C ATOM 166 CD GLU A 12 -18.394 -5.447 -7.749 1.00 74.31 C ATOM 167 OE1 GLU A 12 -18.819 -4.817 -6.755 1.00 33.12 O ATOM 168 OE2 GLU A 12 -17.944 -6.607 -7.666 1.00 23.41 O ATOM 0 H GLU A 12 -19.139 -5.724 -11.623 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.512 -6.493 -9.352 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.755 -3.750 -10.423 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -20.386 -4.002 -8.808 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -17.890 -5.389 -9.829 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.852 -3.826 -9.038 1.00 2.41 H new ATOM 175 N LEU A 13 -22.295 -4.518 -11.324 1.00 24.43 N ATOM 176 CA LEU A 13 -23.639 -4.065 -11.651 1.00 1.43 C ATOM 177 C LEU A 13 -24.554 -5.240 -11.987 1.00 31.21 C ATOM 178 O LEU A 13 -25.665 -5.331 -11.471 1.00 4.34 O ATOM 179 CB LEU A 13 -23.574 -3.063 -12.817 1.00 73.45 C ATOM 180 CG LEU A 13 -24.913 -2.644 -13.436 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.856 -1.187 -13.866 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.244 -3.522 -14.637 1.00 50.21 C ATOM 0 H LEU A 13 -21.571 -4.150 -11.941 1.00 24.43 H new ATOM 0 HA LEU A 13 -24.063 -3.567 -10.779 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.064 -2.165 -12.467 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.955 -3.495 -13.603 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.693 -2.767 -12.685 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.812 -0.899 -14.304 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.651 -0.559 -12.999 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.064 -1.056 -14.604 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.197 -3.211 -15.064 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.460 -3.422 -15.388 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.311 -4.563 -14.319 1.00 50.21 H new ATOM 194 N LEU A 14 -24.075 -6.145 -12.835 1.00 72.01 N ATOM 195 CA LEU A 14 -24.881 -7.268 -13.297 1.00 3.52 C ATOM 196 C LEU A 14 -25.373 -8.111 -12.126 1.00 71.02 C ATOM 197 O LEU A 14 -26.571 -8.378 -12.003 1.00 70.32 O ATOM 198 CB LEU A 14 -24.069 -8.139 -14.259 1.00 33.20 C ATOM 199 CG LEU A 14 -24.826 -9.315 -14.880 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.965 -8.820 -15.756 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.875 -10.193 -15.680 1.00 11.21 C ATOM 0 H LEU A 14 -23.129 -6.121 -13.217 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.750 -6.867 -13.819 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.691 -7.507 -15.063 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.202 -8.528 -13.725 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.254 -9.913 -14.075 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.489 -9.673 -16.187 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -26.659 -8.234 -15.154 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.565 -8.198 -16.556 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -24.428 -11.025 -16.116 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -23.419 -9.604 -16.476 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -23.096 -10.579 -15.022 1.00 11.21 H new ATOM 213 N ILE A 15 -24.453 -8.498 -11.253 1.00 13.25 N ATOM 214 CA ILE A 15 -24.796 -9.346 -10.119 1.00 24.23 C ATOM 215 C ILE A 15 -25.656 -8.586 -9.116 1.00 61.32 C ATOM 216 O ILE A 15 -26.613 -9.132 -8.572 1.00 75.31 O ATOM 217 CB ILE A 15 -23.537 -9.897 -9.413 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.641 -10.621 -10.423 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.929 -10.841 -8.281 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.347 -11.137 -9.833 1.00 63.52 C ATOM 0 H ILE A 15 -23.468 -8.240 -11.307 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.363 -10.190 -10.512 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.983 -9.061 -8.987 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.194 -11.458 -10.850 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.410 -9.940 -11.242 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.030 -11.220 -7.795 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.536 -10.303 -7.553 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.502 -11.676 -8.685 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.767 -11.637 -10.609 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.772 -10.303 -9.431 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.568 -11.844 -9.033 1.00 63.52 H new ATOM 232 N ARG A 16 -25.329 -7.318 -8.896 1.00 32.24 N ATOM 233 CA ARG A 16 -26.066 -6.493 -7.944 1.00 15.30 C ATOM 234 C ARG A 16 -27.496 -6.254 -8.421 1.00 74.23 C ATOM 235 O ARG A 16 -28.430 -6.242 -7.622 1.00 15.23 O ATOM 236 CB ARG A 16 -25.357 -5.151 -7.729 1.00 23.14 C ATOM 237 CG ARG A 16 -26.023 -4.270 -6.681 1.00 71.35 C ATOM 238 CD ARG A 16 -26.001 -4.921 -5.306 1.00 63.11 C ATOM 239 NE ARG A 16 -26.749 -4.143 -4.321 1.00 73.55 N ATOM 240 CZ ARG A 16 -26.550 -4.210 -3.006 1.00 72.42 C ATOM 241 NH1 ARG A 16 -25.592 -4.986 -2.512 1.00 4.32 N ATOM 242 NH2 ARG A 16 -27.301 -3.485 -2.187 1.00 75.13 N ATOM 0 H ARG A 16 -24.559 -6.838 -9.363 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.101 -7.030 -6.996 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.325 -5.338 -7.431 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.323 -4.612 -8.676 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -25.513 -3.308 -6.637 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -27.054 -4.071 -6.974 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -26.423 -5.924 -5.373 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.969 -5.031 -4.973 1.00 63.11 H new ATOM 0 HE ARG A 16 -27.470 -3.508 -4.663 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.005 -5.534 -3.141 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -25.444 -5.034 -1.504 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -28.029 -2.878 -2.565 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -27.151 -3.534 -1.179 1.00 75.13 H new ATOM 256 N ASN A 17 -27.660 -6.060 -9.725 1.00 21.01 N ATOM 257 CA ASN A 17 -28.980 -5.824 -10.299 1.00 71.44 C ATOM 258 C ASN A 17 -29.771 -7.124 -10.377 1.00 24.13 C ATOM 259 O ASN A 17 -30.993 -7.122 -10.241 1.00 64.41 O ATOM 260 CB ASN A 17 -28.874 -5.193 -11.694 1.00 22.11 C ATOM 261 CG ASN A 17 -28.481 -3.717 -11.675 1.00 54.33 C ATOM 262 OD1 ASN A 17 -28.892 -2.950 -12.544 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.681 -3.306 -10.699 1.00 64.22 N ATOM 0 H ASN A 17 -26.898 -6.061 -10.403 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.505 -5.127 -9.645 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.140 -5.747 -12.278 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.832 -5.298 -12.204 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.390 -2.329 -10.655 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -27.357 -3.967 -9.993 1.00 64.22 H new ATOM 270 N ALA A 18 -29.069 -8.230 -10.598 1.00 24.13 N ATOM 271 CA ALA A 18 -29.710 -9.537 -10.681 1.00 52.44 C ATOM 272 C ALA A 18 -30.112 -10.044 -9.298 1.00 63.32 C ATOM 273 O ALA A 18 -31.252 -10.464 -9.089 1.00 53.11 O ATOM 274 CB ALA A 18 -28.791 -10.540 -11.364 1.00 44.34 C ATOM 0 H ALA A 18 -28.057 -8.248 -10.723 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.616 -9.427 -11.278 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.286 -11.510 -11.417 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.560 -10.195 -12.372 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.867 -10.635 -10.793 1.00 44.34 H new ATOM 280 N PHE A 19 -29.176 -10.007 -8.359 1.00 32.44 N ATOM 281 CA PHE A 19 -29.432 -10.478 -7.004 1.00 64.45 C ATOM 282 C PHE A 19 -28.956 -9.456 -5.976 1.00 11.13 C ATOM 283 O PHE A 19 -27.776 -9.410 -5.632 1.00 74.13 O ATOM 284 CB PHE A 19 -28.742 -11.824 -6.750 1.00 5.30 C ATOM 285 CG PHE A 19 -29.237 -12.943 -7.621 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.414 -13.607 -7.317 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.523 -13.331 -8.743 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.870 -14.636 -8.116 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.975 -14.361 -9.545 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.150 -15.014 -9.231 1.00 4.25 C ATOM 0 H PHE A 19 -28.231 -9.655 -8.511 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.509 -10.611 -6.900 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.670 -11.705 -6.905 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.884 -12.101 -5.705 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.981 -13.316 -6.445 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.603 -12.823 -8.993 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.790 -15.145 -7.869 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.410 -14.655 -10.417 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.505 -15.819 -9.857 1.00 4.25 H new ATOM 300 N PRO A 20 -29.873 -8.614 -5.477 1.00 74.32 N ATOM 301 CA PRO A 20 -29.554 -7.596 -4.472 1.00 62.04 C ATOM 302 C PRO A 20 -29.306 -8.206 -3.091 1.00 53.13 C ATOM 303 O PRO A 20 -28.810 -7.543 -2.182 1.00 3.14 O ATOM 304 CB PRO A 20 -30.801 -6.699 -4.445 1.00 73.25 C ATOM 305 CG PRO A 20 -31.643 -7.133 -5.604 1.00 43.34 C ATOM 306 CD PRO A 20 -31.286 -8.565 -5.866 1.00 54.10 C ATOM 0 HA PRO A 20 -28.639 -7.058 -4.720 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.342 -6.811 -3.505 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.528 -5.647 -4.533 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.704 -7.032 -5.374 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.447 -6.516 -6.481 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.894 -9.250 -5.275 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.429 -8.834 -6.913 1.00 54.10 H new ATOM 314 N GLU A 21 -29.652 -9.480 -2.947 1.00 43.25 N ATOM 315 CA GLU A 21 -29.475 -10.193 -1.687 1.00 14.45 C ATOM 316 C GLU A 21 -28.179 -10.996 -1.693 1.00 61.52 C ATOM 317 O GLU A 21 -27.939 -11.813 -0.799 1.00 44.12 O ATOM 318 CB GLU A 21 -30.659 -11.129 -1.438 1.00 73.54 C ATOM 319 CG GLU A 21 -31.968 -10.407 -1.175 1.00 25.00 C ATOM 320 CD GLU A 21 -31.916 -9.559 0.074 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.021 -10.120 1.186 1.00 31.02 O ATOM 322 OE2 GLU A 21 -31.776 -8.325 -0.045 1.00 2.14 O ATOM 0 H GLU A 21 -30.060 -10.044 -3.693 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.424 -9.455 -0.886 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.782 -11.781 -2.303 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.431 -11.769 -0.586 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.210 -9.776 -2.030 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.771 -11.138 -1.081 1.00 25.00 H new ATOM 329 N ALA A 22 -27.348 -10.765 -2.696 1.00 13.31 N ATOM 330 CA ALA A 22 -26.099 -11.497 -2.824 1.00 45.34 C ATOM 331 C ALA A 22 -24.906 -10.607 -2.503 1.00 74.40 C ATOM 332 O ALA A 22 -24.820 -9.469 -2.969 1.00 53.45 O ATOM 333 CB ALA A 22 -25.963 -12.079 -4.222 1.00 43.43 C ATOM 0 H ALA A 22 -27.515 -10.078 -3.432 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.115 -12.315 -2.104 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.022 -12.624 -4.299 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.793 -12.759 -4.415 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.977 -11.272 -4.955 1.00 43.43 H new ATOM 339 N GLU A 23 -24.000 -11.126 -1.689 1.00 31.23 N ATOM 340 CA GLU A 23 -22.760 -10.433 -1.383 1.00 5.24 C ATOM 341 C GLU A 23 -21.752 -10.655 -2.501 1.00 11.04 C ATOM 342 O GLU A 23 -21.309 -11.780 -2.741 1.00 5.32 O ATOM 343 CB GLU A 23 -22.177 -10.909 -0.049 1.00 2.23 C ATOM 344 CG GLU A 23 -22.844 -10.302 1.179 1.00 32.11 C ATOM 345 CD GLU A 23 -24.332 -10.582 1.265 1.00 53.32 C ATOM 346 OE1 GLU A 23 -24.710 -11.708 1.645 1.00 74.04 O ATOM 347 OE2 GLU A 23 -25.129 -9.664 0.983 1.00 2.10 O ATOM 0 H GLU A 23 -24.102 -12.029 -1.227 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.976 -9.368 -1.298 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.262 -11.994 0.005 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.113 -10.671 -0.025 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -22.358 -10.689 2.074 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.686 -9.224 1.172 1.00 32.11 H new ATOM 354 N ILE A 24 -21.410 -9.578 -3.187 1.00 13.41 N ATOM 355 CA ILE A 24 -20.503 -9.642 -4.323 1.00 74.24 C ATOM 356 C ILE A 24 -19.071 -9.389 -3.874 1.00 61.32 C ATOM 357 O ILE A 24 -18.731 -8.278 -3.470 1.00 75.31 O ATOM 358 CB ILE A 24 -20.879 -8.592 -5.391 1.00 14.12 C ATOM 359 CG1 ILE A 24 -22.376 -8.652 -5.699 1.00 72.34 C ATOM 360 CG2 ILE A 24 -20.073 -8.817 -6.662 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.849 -7.548 -6.620 1.00 33.11 C ATOM 0 H ILE A 24 -21.750 -8.640 -2.975 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.586 -10.640 -4.754 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.644 -7.603 -4.997 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.607 -9.616 -6.152 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.933 -8.598 -4.764 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -20.349 -8.069 -7.405 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -19.010 -8.731 -6.439 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.282 -9.812 -7.054 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.920 -7.653 -6.794 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.650 -6.580 -6.160 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.318 -7.614 -7.570 1.00 33.11 H new ATOM 373 N THR A 25 -18.238 -10.418 -3.927 1.00 14.02 N ATOM 374 CA THR A 25 -16.847 -10.281 -3.527 1.00 54.43 C ATOM 375 C THR A 25 -15.904 -10.792 -4.615 1.00 60.33 C ATOM 376 O THR A 25 -15.772 -12.000 -4.826 1.00 24.53 O ATOM 377 CB THR A 25 -16.583 -11.039 -2.210 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.541 -10.640 -1.223 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.179 -10.763 -1.689 1.00 30.53 C ATOM 0 H THR A 25 -18.500 -11.352 -4.242 1.00 14.02 H new ATOM 0 HA THR A 25 -16.653 -9.220 -3.373 1.00 54.43 H new ATOM 0 HB THR A 25 -16.675 -12.107 -2.409 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.372 -11.125 -0.388 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.022 -11.311 -0.760 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.446 -11.086 -2.429 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.063 -9.695 -1.505 1.00 30.53 H new ATOM 387 N VAL A 26 -15.258 -9.871 -5.314 1.00 74.44 N ATOM 388 CA VAL A 26 -14.281 -10.235 -6.327 1.00 13.43 C ATOM 389 C VAL A 26 -12.919 -10.505 -5.690 1.00 70.34 C ATOM 390 O VAL A 26 -12.411 -9.703 -4.907 1.00 52.34 O ATOM 391 CB VAL A 26 -14.141 -9.148 -7.420 1.00 24.42 C ATOM 392 CG1 VAL A 26 -15.406 -9.066 -8.258 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.822 -7.789 -6.811 1.00 35.24 C ATOM 0 H VAL A 26 -15.393 -8.867 -5.198 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.644 -11.145 -6.805 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.310 -9.432 -8.066 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -15.288 -8.296 -9.021 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.587 -10.028 -8.738 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -16.251 -8.815 -7.617 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.730 -7.047 -7.604 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.624 -7.497 -6.133 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.884 -7.849 -6.259 1.00 35.24 H new ATOM 403 N THR A 27 -12.349 -11.654 -6.007 1.00 53.51 N ATOM 404 CA THR A 27 -11.043 -12.031 -5.499 1.00 3.34 C ATOM 405 C THR A 27 -10.004 -11.916 -6.611 1.00 43.20 C ATOM 406 O THR A 27 -10.171 -12.494 -7.690 1.00 52.12 O ATOM 407 CB THR A 27 -11.065 -13.471 -4.950 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.228 -13.652 -4.128 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.814 -13.766 -4.135 1.00 63.14 C ATOM 0 H THR A 27 -12.776 -12.348 -6.620 1.00 53.51 H new ATOM 0 HA THR A 27 -10.780 -11.356 -4.685 1.00 3.34 H new ATOM 0 HB THR A 27 -11.094 -14.160 -5.794 1.00 60.22 H new ATOM 0 HG1 THR A 27 -11.986 -13.529 -3.186 1.00 55.14 H new ATOM 0 HG21 THR A 27 -9.857 -14.789 -3.760 1.00 63.14 H new ATOM 0 HG22 THR A 27 -8.933 -13.647 -4.765 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.755 -13.074 -3.295 1.00 63.14 H new ATOM 417 N SER A 28 -8.948 -11.156 -6.361 1.00 23.54 N ATOM 418 CA SER A 28 -7.926 -10.932 -7.366 1.00 22.03 C ATOM 419 C SER A 28 -6.810 -11.962 -7.250 1.00 14.30 C ATOM 420 O SER A 28 -6.230 -12.142 -6.178 1.00 32.51 O ATOM 421 CB SER A 28 -7.366 -9.515 -7.238 1.00 23.21 C ATOM 422 OG SER A 28 -6.953 -9.240 -5.908 1.00 51.11 O ATOM 0 H SER A 28 -8.779 -10.686 -5.472 1.00 23.54 H new ATOM 0 HA SER A 28 -8.381 -11.043 -8.350 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.521 -9.393 -7.916 1.00 23.21 H new ATOM 0 HB3 SER A 28 -8.124 -8.793 -7.542 1.00 23.21 H new ATOM 0 HG SER A 28 -6.534 -10.038 -5.524 1.00 51.11 H new ATOM 428 N LEU A 29 -6.538 -12.651 -8.351 1.00 60.25 N ATOM 429 CA LEU A 29 -5.451 -13.621 -8.416 1.00 24.55 C ATOM 430 C LEU A 29 -4.525 -13.263 -9.573 1.00 12.10 C ATOM 431 O LEU A 29 -4.522 -12.119 -10.035 1.00 65.12 O ATOM 432 CB LEU A 29 -5.988 -15.054 -8.602 1.00 52.33 C ATOM 433 CG LEU A 29 -6.698 -15.682 -7.393 1.00 2.03 C ATOM 434 CD1 LEU A 29 -5.873 -15.499 -6.128 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.100 -15.114 -7.222 1.00 60.32 C ATOM 0 H LEU A 29 -7.062 -12.554 -9.221 1.00 60.25 H new ATOM 0 HA LEU A 29 -4.903 -13.588 -7.475 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.682 -15.052 -9.442 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.153 -15.698 -8.880 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.797 -16.751 -7.579 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -6.395 -15.951 -5.285 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -4.903 -15.979 -6.254 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -5.730 -14.435 -5.938 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.578 -15.577 -6.359 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -8.040 -14.037 -7.069 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.688 -15.321 -8.116 1.00 60.32 H new ATOM 447 N VAL A 30 -3.733 -14.228 -10.020 1.00 4.40 N ATOM 448 CA VAL A 30 -2.875 -14.032 -11.181 1.00 1.44 C ATOM 449 C VAL A 30 -3.731 -13.845 -12.436 1.00 64.14 C ATOM 450 O VAL A 30 -4.709 -14.563 -12.641 1.00 15.34 O ATOM 451 CB VAL A 30 -1.893 -15.215 -11.365 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.640 -16.533 -11.526 1.00 52.04 C ATOM 453 CG2 VAL A 30 -0.967 -14.974 -12.549 1.00 30.41 C ATOM 0 H VAL A 30 -3.667 -15.154 -9.597 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.280 -13.134 -11.017 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.284 -15.282 -10.463 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.923 -17.344 -11.653 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.245 -16.719 -10.639 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -3.287 -16.480 -12.402 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.287 -15.819 -12.657 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -1.559 -14.866 -13.458 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -0.391 -14.064 -12.381 1.00 30.41 H new ATOM 463 N GLY A 31 -3.371 -12.871 -13.263 1.00 42.32 N ATOM 464 CA GLY A 31 -4.193 -12.541 -14.411 1.00 63.24 C ATOM 465 C GLY A 31 -5.303 -11.592 -14.020 1.00 24.53 C ATOM 466 O GLY A 31 -6.464 -11.785 -14.394 1.00 24.33 O ATOM 0 H GLY A 31 -2.528 -12.306 -13.160 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -3.577 -12.087 -15.187 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -4.618 -13.451 -14.833 1.00 63.24 H new ATOM 470 N ASP A 32 -4.919 -10.562 -13.268 1.00 54.21 N ATOM 471 CA ASP A 32 -5.850 -9.617 -12.652 1.00 24.22 C ATOM 472 C ASP A 32 -6.905 -9.116 -13.629 1.00 21.34 C ATOM 473 O ASP A 32 -8.080 -9.461 -13.525 1.00 50.54 O ATOM 474 CB ASP A 32 -5.085 -8.408 -12.102 1.00 33.31 C ATOM 475 CG ASP A 32 -4.005 -8.773 -11.101 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.926 -9.243 -11.521 1.00 1.50 O ATOM 477 OD2 ASP A 32 -4.211 -8.549 -9.891 1.00 71.24 O ATOM 0 H ASP A 32 -3.940 -10.357 -13.067 1.00 54.21 H new ATOM 0 HA ASP A 32 -6.355 -10.155 -11.849 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -4.630 -7.868 -12.933 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -5.792 -7.727 -11.628 1.00 33.31 H new ATOM 482 N ASN A 33 -6.470 -8.328 -14.601 1.00 11.01 N ATOM 483 CA ASN A 33 -7.387 -7.570 -15.453 1.00 33.31 C ATOM 484 C ASN A 33 -8.000 -8.430 -16.554 1.00 73.15 C ATOM 485 O ASN A 33 -8.538 -7.902 -17.529 1.00 35.41 O ATOM 486 CB ASN A 33 -6.660 -6.380 -16.082 1.00 23.21 C ATOM 487 CG ASN A 33 -5.977 -5.497 -15.055 1.00 63.34 C ATOM 488 OD1 ASN A 33 -6.593 -4.600 -14.479 1.00 61.15 O ATOM 489 ND2 ASN A 33 -4.686 -5.710 -14.854 1.00 30.04 N ATOM 0 H ASN A 33 -5.484 -8.194 -14.823 1.00 11.01 H new ATOM 0 HA ASN A 33 -8.198 -7.218 -14.815 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -5.917 -6.747 -16.790 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -7.374 -5.783 -16.650 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -4.167 -5.121 -14.203 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -4.210 -6.464 -15.350 1.00 30.04 H new ATOM 496 N ASN A 34 -7.934 -9.741 -16.404 1.00 61.41 N ATOM 497 CA ASN A 34 -8.522 -10.633 -17.391 1.00 4.13 C ATOM 498 C ASN A 34 -9.520 -11.577 -16.748 1.00 1.44 C ATOM 499 O ASN A 34 -10.539 -11.916 -17.352 1.00 40.12 O ATOM 500 CB ASN A 34 -7.448 -11.434 -18.126 1.00 53.13 C ATOM 501 CG ASN A 34 -6.581 -10.569 -19.018 1.00 60.20 C ATOM 502 OD1 ASN A 34 -5.538 -10.069 -18.597 1.00 22.32 O ATOM 503 ND2 ASN A 34 -7.004 -10.379 -20.259 1.00 24.41 N ATOM 0 H ASN A 34 -7.484 -10.209 -15.617 1.00 61.41 H new ATOM 0 HA ASN A 34 -9.046 -10.011 -18.116 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -6.818 -11.943 -17.397 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -7.926 -12.206 -18.729 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -6.460 -9.802 -20.901 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -7.874 -10.810 -20.573 1.00 24.41 H new ATOM 510 N HIS A 35 -9.243 -12.002 -15.522 1.00 11.54 N ATOM 511 CA HIS A 35 -10.124 -12.936 -14.841 1.00 21.41 C ATOM 512 C HIS A 35 -9.965 -12.862 -13.327 1.00 54.15 C ATOM 513 O HIS A 35 -8.906 -13.166 -12.783 1.00 54.44 O ATOM 514 CB HIS A 35 -9.890 -14.376 -15.334 1.00 25.33 C ATOM 515 CG HIS A 35 -8.461 -14.836 -15.270 1.00 13.33 C ATOM 516 ND1 HIS A 35 -7.954 -15.580 -14.227 1.00 35.21 N ATOM 517 CD2 HIS A 35 -7.435 -14.666 -16.140 1.00 50.13 C ATOM 518 CE1 HIS A 35 -6.682 -15.850 -14.457 1.00 24.43 C ATOM 519 NE2 HIS A 35 -6.344 -15.306 -15.609 1.00 23.03 N ATOM 0 H HIS A 35 -8.424 -11.717 -14.985 1.00 11.54 H new ATOM 0 HA HIS A 35 -11.147 -12.647 -15.084 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.503 -15.053 -14.739 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.237 -14.454 -16.364 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -7.470 -14.128 -17.076 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -6.030 -16.419 -13.811 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -5.419 -15.353 -16.037 1.00 23.03 H new ATOM 528 N TYR A 36 -11.028 -12.447 -12.658 1.00 43.33 N ATOM 529 CA TYR A 36 -11.076 -12.480 -11.206 1.00 71.31 C ATOM 530 C TYR A 36 -11.943 -13.648 -10.765 1.00 40.50 C ATOM 531 O TYR A 36 -12.777 -14.131 -11.535 1.00 24.43 O ATOM 532 CB TYR A 36 -11.668 -11.186 -10.634 1.00 22.12 C ATOM 533 CG TYR A 36 -10.926 -9.922 -11.005 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.789 -9.536 -10.313 1.00 41.21 C ATOM 535 CD2 TYR A 36 -11.382 -9.101 -12.030 1.00 43.30 C ATOM 536 CE1 TYR A 36 -9.121 -8.369 -10.629 1.00 62.32 C ATOM 537 CE2 TYR A 36 -10.718 -7.933 -12.356 1.00 62.54 C ATOM 538 CZ TYR A 36 -9.589 -7.572 -11.652 1.00 1.54 C ATOM 539 OH TYR A 36 -8.928 -6.407 -11.969 1.00 12.31 O ATOM 0 H TYR A 36 -11.872 -12.082 -13.099 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.057 -12.588 -10.835 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.700 -11.096 -10.973 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.696 -11.267 -9.547 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.419 -10.159 -9.512 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -12.269 -9.380 -12.580 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -8.237 -8.083 -10.078 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -11.082 -7.307 -13.157 1.00 62.54 H new ATOM 0 HH TYR A 36 -9.386 -5.963 -12.713 1.00 12.31 H new ATOM 549 N SER A 37 -11.746 -14.103 -9.544 1.00 2.23 N ATOM 550 CA SER A 37 -12.611 -15.115 -8.976 1.00 21.11 C ATOM 551 C SER A 37 -13.759 -14.428 -8.252 1.00 62.15 C ATOM 552 O SER A 37 -13.539 -13.672 -7.306 1.00 50.13 O ATOM 553 CB SER A 37 -11.825 -16.015 -8.020 1.00 62.23 C ATOM 554 OG SER A 37 -10.718 -16.608 -8.678 1.00 63.00 O ATOM 0 H SER A 37 -10.996 -13.788 -8.928 1.00 2.23 H new ATOM 0 HA SER A 37 -13.011 -15.746 -9.770 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.477 -15.431 -7.168 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.479 -16.793 -7.627 1.00 62.23 H new ATOM 0 HG SER A 37 -10.229 -17.177 -8.048 1.00 63.00 H new ATOM 560 N ILE A 38 -14.975 -14.674 -8.693 1.00 34.53 N ATOM 561 CA ILE A 38 -16.115 -13.966 -8.150 1.00 12.35 C ATOM 562 C ILE A 38 -16.839 -14.811 -7.113 1.00 21.51 C ATOM 563 O ILE A 38 -17.436 -15.844 -7.422 1.00 24.12 O ATOM 564 CB ILE A 38 -17.097 -13.505 -9.261 1.00 73.40 C ATOM 565 CG1 ILE A 38 -18.330 -12.832 -8.650 1.00 24.33 C ATOM 566 CG2 ILE A 38 -17.506 -14.664 -10.159 1.00 23.22 C ATOM 567 CD1 ILE A 38 -18.012 -11.567 -7.886 1.00 24.22 C ATOM 0 H ILE A 38 -15.199 -15.353 -9.420 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.731 -13.071 -7.661 1.00 12.35 H new ATOM 0 HB ILE A 38 -16.576 -12.774 -9.880 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -19.038 -12.598 -9.445 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -18.824 -13.536 -7.981 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.193 -14.306 -10.925 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.621 -15.086 -10.635 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.997 -15.432 -9.561 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -18.932 -11.145 -7.482 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -17.329 -11.798 -7.069 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -17.546 -10.845 -8.556 1.00 24.22 H new ATOM 579 N LYS A 39 -16.740 -14.378 -5.866 1.00 62.41 N ATOM 580 CA LYS A 39 -17.459 -15.010 -4.780 1.00 70.34 C ATOM 581 C LYS A 39 -18.848 -14.417 -4.678 1.00 25.51 C ATOM 582 O LYS A 39 -19.008 -13.250 -4.306 1.00 73.43 O ATOM 583 CB LYS A 39 -16.740 -14.815 -3.441 1.00 35.52 C ATOM 584 CG LYS A 39 -15.372 -15.465 -3.348 1.00 1.32 C ATOM 585 CD LYS A 39 -14.786 -15.275 -1.955 1.00 0.22 C ATOM 586 CE LYS A 39 -13.397 -15.877 -1.831 1.00 64.33 C ATOM 587 NZ LYS A 39 -13.402 -17.352 -2.023 1.00 52.43 N ATOM 0 H LYS A 39 -16.163 -13.585 -5.583 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.513 -16.078 -4.993 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.631 -13.746 -3.256 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.370 -15.214 -2.646 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -15.452 -16.528 -3.574 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -14.705 -15.030 -4.092 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -14.741 -14.211 -1.723 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.446 -15.734 -1.219 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -12.738 -15.419 -2.568 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -12.988 -15.642 -0.848 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -12.602 -17.772 -1.508 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.293 -17.746 -1.660 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -13.314 -17.571 -3.036 1.00 52.43 H new ATOM 601 N VAL A 40 -19.848 -15.198 -5.036 1.00 63.22 N ATOM 602 CA VAL A 40 -21.217 -14.781 -4.827 1.00 35.24 C ATOM 603 C VAL A 40 -21.715 -15.407 -3.539 1.00 33.00 C ATOM 604 O VAL A 40 -22.009 -16.605 -3.483 1.00 4.22 O ATOM 605 CB VAL A 40 -22.141 -15.181 -5.997 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.529 -14.588 -5.805 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.552 -14.734 -7.326 1.00 42.04 C ATOM 0 H VAL A 40 -19.739 -16.115 -5.469 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.239 -13.693 -4.767 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.226 -16.268 -6.009 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.168 -14.880 -6.639 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.957 -14.958 -4.873 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.458 -13.501 -5.765 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.220 -15.026 -8.137 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.434 -13.650 -7.326 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.579 -15.205 -7.470 1.00 42.04 H new ATOM 617 N ILE A 41 -21.787 -14.597 -2.500 1.00 54.23 N ATOM 618 CA ILE A 41 -22.161 -15.085 -1.188 1.00 33.03 C ATOM 619 C ILE A 41 -23.641 -14.834 -0.951 1.00 40.43 C ATOM 620 O ILE A 41 -24.057 -13.702 -0.713 1.00 0.12 O ATOM 621 CB ILE A 41 -21.336 -14.407 -0.070 1.00 63.32 C ATOM 622 CG1 ILE A 41 -19.841 -14.373 -0.428 1.00 72.31 C ATOM 623 CG2 ILE A 41 -21.547 -15.131 1.254 1.00 50.41 C ATOM 624 CD1 ILE A 41 -19.213 -15.737 -0.636 1.00 73.31 C ATOM 0 H ILE A 41 -21.591 -13.597 -2.540 1.00 54.23 H new ATOM 0 HA ILE A 41 -21.954 -16.155 -1.158 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.682 -13.378 0.030 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.711 -13.785 -1.337 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.302 -13.856 0.366 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -20.960 -14.644 2.033 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -22.603 -15.099 1.522 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -21.229 -16.169 1.156 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -18.158 -15.618 -0.885 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -19.306 -16.324 0.278 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -19.722 -16.251 -1.451 1.00 73.31 H new ATOM 636 N SER A 42 -24.436 -15.884 -1.057 1.00 20.34 N ATOM 637 CA SER A 42 -25.865 -15.769 -0.845 1.00 24.41 C ATOM 638 C SER A 42 -26.427 -17.064 -0.280 1.00 53.10 C ATOM 639 O SER A 42 -26.104 -18.156 -0.755 1.00 71.22 O ATOM 640 CB SER A 42 -26.571 -15.409 -2.156 1.00 15.34 C ATOM 641 OG SER A 42 -27.975 -15.334 -1.980 1.00 44.11 O ATOM 0 H SER A 42 -24.115 -16.824 -1.288 1.00 20.34 H new ATOM 0 HA SER A 42 -26.043 -14.972 -0.123 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.197 -14.453 -2.523 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.337 -16.156 -2.915 1.00 15.34 H new ATOM 0 HG SER A 42 -28.385 -14.949 -2.782 1.00 44.11 H new ATOM 647 N SER A 43 -27.275 -16.927 0.732 1.00 30.43 N ATOM 648 CA SER A 43 -27.947 -18.066 1.347 1.00 73.12 C ATOM 649 C SER A 43 -28.824 -18.788 0.321 1.00 23.01 C ATOM 650 O SER A 43 -29.210 -19.940 0.512 1.00 1.22 O ATOM 651 CB SER A 43 -28.789 -17.582 2.539 1.00 14.53 C ATOM 652 OG SER A 43 -29.488 -18.645 3.168 1.00 21.44 O ATOM 0 H SER A 43 -27.516 -16.028 1.148 1.00 30.43 H new ATOM 0 HA SER A 43 -27.199 -18.773 1.706 1.00 73.12 H new ATOM 0 HB2 SER A 43 -28.140 -17.096 3.267 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.502 -16.832 2.197 1.00 14.53 H new ATOM 0 HG SER A 43 -30.009 -18.294 3.920 1.00 21.44 H new ATOM 658 N GLN A 44 -29.096 -18.107 -0.786 1.00 22.21 N ATOM 659 CA GLN A 44 -29.935 -18.647 -1.844 1.00 35.52 C ATOM 660 C GLN A 44 -29.199 -19.718 -2.648 1.00 53.44 C ATOM 661 O GLN A 44 -29.818 -20.466 -3.404 1.00 5.22 O ATOM 662 CB GLN A 44 -30.397 -17.518 -2.763 1.00 53.01 C ATOM 663 CG GLN A 44 -31.199 -16.451 -2.034 1.00 53.14 C ATOM 664 CD GLN A 44 -31.486 -15.232 -2.888 1.00 12.44 C ATOM 665 OE1 GLN A 44 -30.702 -14.873 -3.769 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.606 -14.579 -2.620 1.00 42.54 N ATOM 0 H GLN A 44 -28.742 -17.169 -0.973 1.00 22.21 H new ATOM 0 HA GLN A 44 -30.804 -19.118 -1.384 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.526 -17.056 -3.228 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.004 -17.936 -3.566 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.142 -16.881 -1.698 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -30.654 -16.142 -1.142 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.226 -14.912 -1.882 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -32.849 -13.743 -3.152 1.00 42.54 H new ATOM 675 N PHE A 45 -27.877 -19.794 -2.487 1.00 2.34 N ATOM 676 CA PHE A 45 -27.091 -20.817 -3.174 1.00 54.05 C ATOM 677 C PHE A 45 -26.923 -22.055 -2.301 1.00 52.21 C ATOM 678 O PHE A 45 -26.489 -23.106 -2.772 1.00 54.32 O ATOM 679 CB PHE A 45 -25.707 -20.283 -3.559 1.00 21.10 C ATOM 680 CG PHE A 45 -25.684 -19.449 -4.809 1.00 62.12 C ATOM 681 CD1 PHE A 45 -25.654 -20.050 -6.059 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.663 -18.068 -4.734 1.00 52.02 C ATOM 683 CE1 PHE A 45 -25.610 -19.285 -7.211 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.624 -17.297 -5.883 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.592 -17.906 -7.122 1.00 32.51 C ATOM 0 H PHE A 45 -27.334 -19.167 -1.894 1.00 2.34 H new ATOM 0 HA PHE A 45 -27.635 -21.087 -4.079 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.319 -19.687 -2.733 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.029 -21.127 -3.688 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -25.665 -21.127 -6.134 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.677 -17.586 -3.768 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.590 -19.765 -8.178 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.619 -16.219 -5.810 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.553 -17.306 -8.019 1.00 32.51 H new ATOM 695 N GLN A 46 -27.289 -21.939 -1.035 1.00 72.45 N ATOM 696 CA GLN A 46 -27.089 -23.023 -0.093 1.00 75.13 C ATOM 697 C GLN A 46 -28.347 -23.872 0.016 1.00 33.34 C ATOM 698 O GLN A 46 -29.437 -23.361 0.277 1.00 13.13 O ATOM 699 CB GLN A 46 -26.692 -22.470 1.276 1.00 64.41 C ATOM 700 CG GLN A 46 -26.326 -23.546 2.284 1.00 21.44 C ATOM 701 CD GLN A 46 -25.150 -24.395 1.837 1.00 44.02 C ATOM 702 OE1 GLN A 46 -24.259 -23.925 1.133 1.00 34.13 O ATOM 703 NE2 GLN A 46 -25.150 -25.659 2.233 1.00 64.01 N ATOM 0 H GLN A 46 -27.725 -21.106 -0.639 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.280 -23.656 -0.457 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -25.845 -21.795 1.154 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -27.517 -21.878 1.672 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -26.088 -23.077 3.239 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -27.190 -24.189 2.452 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -25.909 -26.010 2.817 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -24.391 -26.281 1.954 1.00 64.01 H new ATOM 712 N GLY A 47 -28.190 -25.170 -0.199 1.00 61.23 N ATOM 713 CA GLY A 47 -29.326 -26.068 -0.186 1.00 30.52 C ATOM 714 C GLY A 47 -29.816 -26.360 -1.585 1.00 5.25 C ATOM 715 O GLY A 47 -30.458 -27.381 -1.831 1.00 33.03 O ATOM 0 H GLY A 47 -27.293 -25.619 -0.383 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.049 -27.000 0.306 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.133 -25.627 0.399 1.00 30.52 H new ATOM 719 N LYS A 48 -29.498 -25.459 -2.503 1.00 74.22 N ATOM 720 CA LYS A 48 -29.856 -25.623 -3.901 1.00 25.13 C ATOM 721 C LYS A 48 -29.025 -26.738 -4.518 1.00 55.24 C ATOM 722 O LYS A 48 -27.903 -26.996 -4.080 1.00 42.13 O ATOM 723 CB LYS A 48 -29.603 -24.320 -4.664 1.00 2.30 C ATOM 724 CG LYS A 48 -30.797 -23.825 -5.465 1.00 31.41 C ATOM 725 CD LYS A 48 -31.884 -23.266 -4.564 1.00 43.32 C ATOM 726 CE LYS A 48 -32.994 -22.611 -5.368 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.815 -23.603 -6.112 1.00 10.22 N ATOM 0 H LYS A 48 -28.988 -24.599 -2.300 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.914 -25.878 -3.966 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.311 -23.547 -3.953 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.761 -24.466 -5.341 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.472 -23.055 -6.164 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -31.202 -24.644 -6.059 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.300 -24.068 -3.954 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.451 -22.537 -3.879 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.637 -22.041 -4.697 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.559 -21.902 -6.072 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.579 -23.111 -6.618 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -33.215 -24.107 -6.796 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -34.226 -24.285 -5.443 1.00 10.22 H new ATOM 741 N SER A 49 -29.567 -27.398 -5.527 1.00 13.41 N ATOM 742 CA SER A 49 -28.831 -28.432 -6.232 1.00 51.51 C ATOM 743 C SER A 49 -27.652 -27.822 -6.977 1.00 12.24 C ATOM 744 O SER A 49 -27.704 -26.663 -7.397 1.00 74.40 O ATOM 745 CB SER A 49 -29.751 -29.162 -7.214 1.00 73.24 C ATOM 746 OG SER A 49 -29.016 -30.010 -8.081 1.00 23.44 O ATOM 0 H SER A 49 -30.512 -27.237 -5.875 1.00 13.41 H new ATOM 0 HA SER A 49 -28.455 -29.150 -5.503 1.00 51.51 H new ATOM 0 HB2 SER A 49 -30.482 -29.751 -6.660 1.00 73.24 H new ATOM 0 HB3 SER A 49 -30.309 -28.433 -7.802 1.00 73.24 H new ATOM 0 HG SER A 49 -29.631 -30.463 -8.695 1.00 23.44 H new ATOM 752 N LYS A 50 -26.582 -28.589 -7.129 1.00 4.42 N ATOM 753 CA LYS A 50 -25.440 -28.133 -7.900 1.00 71.43 C ATOM 754 C LYS A 50 -25.834 -27.940 -9.355 1.00 23.45 C ATOM 755 O LYS A 50 -25.307 -27.060 -10.029 1.00 32.41 O ATOM 756 CB LYS A 50 -24.268 -29.108 -7.783 1.00 4.10 C ATOM 757 CG LYS A 50 -23.266 -28.731 -6.703 1.00 64.11 C ATOM 758 CD LYS A 50 -22.623 -27.380 -6.989 1.00 23.40 C ATOM 759 CE LYS A 50 -21.645 -26.972 -5.896 1.00 14.31 C ATOM 760 NZ LYS A 50 -22.334 -26.555 -4.645 1.00 52.11 N ATOM 0 H LYS A 50 -26.483 -29.523 -6.731 1.00 4.42 H new ATOM 0 HA LYS A 50 -25.115 -27.175 -7.494 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -24.656 -30.105 -7.575 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -23.753 -29.160 -8.742 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -23.766 -28.700 -5.735 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.493 -29.497 -6.638 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -22.101 -27.422 -7.945 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -23.400 -26.621 -7.082 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.978 -27.806 -5.679 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.024 -26.152 -6.256 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -21.640 -26.483 -3.874 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -22.788 -25.630 -4.790 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -23.057 -27.260 -4.395 1.00 52.11 H new ATOM 774 N LEU A 51 -26.786 -28.742 -9.824 1.00 35.35 N ATOM 775 CA LEU A 51 -27.305 -28.592 -11.176 1.00 23.42 C ATOM 776 C LEU A 51 -27.966 -27.226 -11.322 1.00 5.20 C ATOM 777 O LEU A 51 -27.754 -26.522 -12.313 1.00 63.51 O ATOM 778 CB LEU A 51 -28.311 -29.701 -11.499 1.00 12.31 C ATOM 779 CG LEU A 51 -28.951 -29.615 -12.888 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.892 -29.724 -13.972 1.00 43.12 C ATOM 781 CD2 LEU A 51 -30.004 -30.699 -13.057 1.00 32.51 C ATOM 0 H LEU A 51 -27.211 -29.499 -9.289 1.00 35.35 H new ATOM 0 HA LEU A 51 -26.476 -28.670 -11.879 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -27.808 -30.664 -11.407 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -29.102 -29.681 -10.750 1.00 12.31 H new ATOM 0 HG LEU A 51 -29.438 -28.645 -12.983 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -28.366 -29.661 -14.951 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -27.175 -28.911 -13.863 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.374 -30.679 -13.880 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -30.448 -30.623 -14.049 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -29.540 -31.678 -12.941 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -30.780 -30.574 -12.302 1.00 32.51 H new ATOM 793 N GLU A 52 -28.753 -26.853 -10.315 1.00 71.20 N ATOM 794 CA GLU A 52 -29.390 -25.543 -10.286 1.00 3.31 C ATOM 795 C GLU A 52 -28.329 -24.454 -10.268 1.00 30.12 C ATOM 796 O GLU A 52 -28.372 -23.521 -11.063 1.00 1.51 O ATOM 797 CB GLU A 52 -30.292 -25.401 -9.056 1.00 30.33 C ATOM 798 CG GLU A 52 -31.404 -26.432 -8.986 1.00 23.32 C ATOM 799 CD GLU A 52 -32.277 -26.253 -7.763 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.960 -26.843 -6.710 1.00 61.13 O ATOM 801 OE2 GLU A 52 -33.273 -25.510 -7.845 1.00 33.02 O ATOM 0 H GLU A 52 -28.963 -27.442 -9.509 1.00 71.20 H new ATOM 0 HA GLU A 52 -30.005 -25.441 -11.180 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.680 -25.480 -8.158 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.733 -24.404 -9.054 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -32.020 -26.361 -9.883 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.970 -27.432 -8.976 1.00 23.32 H new ATOM 808 N GLN A 53 -27.364 -24.610 -9.369 1.00 12.11 N ATOM 809 CA GLN A 53 -26.251 -23.676 -9.243 1.00 42.34 C ATOM 810 C GLN A 53 -25.528 -23.491 -10.577 1.00 43.01 C ATOM 811 O GLN A 53 -25.266 -22.365 -10.999 1.00 50.30 O ATOM 812 CB GLN A 53 -25.275 -24.179 -8.178 1.00 43.04 C ATOM 813 CG GLN A 53 -25.749 -23.930 -6.754 1.00 62.32 C ATOM 814 CD GLN A 53 -25.014 -24.774 -5.731 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.944 -24.409 -5.250 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.597 -25.909 -5.383 1.00 33.33 N ATOM 0 H GLN A 53 -27.331 -25.386 -8.708 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.649 -22.707 -8.943 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -25.116 -25.248 -8.318 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.310 -23.692 -8.322 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.615 -22.876 -6.511 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.817 -24.139 -6.690 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.486 -26.176 -5.806 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.158 -26.517 -4.692 1.00 33.33 H new ATOM 825 N HIS A 54 -25.229 -24.598 -11.250 1.00 11.40 N ATOM 826 CA HIS A 54 -24.520 -24.547 -12.526 1.00 50.22 C ATOM 827 C HIS A 54 -25.352 -23.835 -13.585 1.00 75.33 C ATOM 828 O HIS A 54 -24.830 -23.017 -14.339 1.00 22.05 O ATOM 829 CB HIS A 54 -24.145 -25.951 -13.011 1.00 60.03 C ATOM 830 CG HIS A 54 -23.172 -26.653 -12.117 1.00 0.23 C ATOM 831 ND1 HIS A 54 -23.208 -28.009 -11.876 1.00 44.12 N ATOM 832 CD2 HIS A 54 -22.141 -26.172 -11.385 1.00 72.31 C ATOM 833 CE1 HIS A 54 -22.249 -28.330 -11.031 1.00 21.24 C ATOM 834 NE2 HIS A 54 -21.586 -27.233 -10.721 1.00 73.11 N ATOM 0 H HIS A 54 -25.465 -25.539 -10.935 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.602 -23.982 -12.365 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.050 -26.552 -13.092 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.720 -25.879 -14.012 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.816 -25.143 -11.334 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -22.042 -29.322 -10.657 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.788 -27.183 -10.088 1.00 73.11 H new ATOM 843 N ARG A 55 -26.644 -24.144 -13.629 1.00 60.31 N ATOM 844 CA ARG A 55 -27.555 -23.513 -14.580 1.00 40.14 C ATOM 845 C ARG A 55 -27.731 -22.035 -14.279 1.00 43.34 C ATOM 846 O ARG A 55 -27.750 -21.208 -15.191 1.00 3.25 O ATOM 847 CB ARG A 55 -28.913 -24.204 -14.565 1.00 52.11 C ATOM 848 CG ARG A 55 -28.974 -25.421 -15.475 1.00 35.13 C ATOM 849 CD ARG A 55 -30.258 -26.211 -15.287 1.00 61.41 C ATOM 850 NE ARG A 55 -31.456 -25.421 -15.580 1.00 74.14 N ATOM 851 CZ ARG A 55 -32.640 -25.958 -15.871 1.00 14.23 C ATOM 852 NH1 ARG A 55 -32.758 -27.274 -16.000 1.00 74.13 N ATOM 853 NH2 ARG A 55 -33.700 -25.178 -16.051 1.00 52.14 N ATOM 0 H ARG A 55 -27.085 -24.829 -13.016 1.00 60.31 H new ATOM 0 HA ARG A 55 -27.113 -23.614 -15.571 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.148 -24.508 -13.545 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.680 -23.492 -14.869 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.895 -25.101 -16.514 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.119 -26.067 -15.274 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.239 -27.088 -15.935 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.309 -26.574 -14.261 1.00 61.41 H new ATOM 0 HE ARG A 55 -31.380 -24.404 -15.560 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.942 -27.874 -15.876 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -33.664 -27.685 -16.223 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -33.608 -24.166 -15.967 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -34.605 -25.591 -16.274 1.00 52.14 H new ATOM 867 N MET A 56 -27.861 -21.705 -13.003 1.00 5.13 N ATOM 868 CA MET A 56 -28.036 -20.323 -12.601 1.00 13.24 C ATOM 869 C MET A 56 -26.842 -19.493 -13.041 1.00 73.24 C ATOM 870 O MET A 56 -27.004 -18.458 -13.683 1.00 12.14 O ATOM 871 CB MET A 56 -28.230 -20.204 -11.088 1.00 12.34 C ATOM 872 CG MET A 56 -29.568 -20.731 -10.597 1.00 75.15 C ATOM 873 SD MET A 56 -29.743 -20.632 -8.803 1.00 61.02 S ATOM 874 CE MET A 56 -29.568 -18.868 -8.538 1.00 11.14 C ATOM 0 H MET A 56 -27.848 -22.374 -12.233 1.00 5.13 H new ATOM 0 HA MET A 56 -28.935 -19.944 -13.087 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.430 -20.747 -10.585 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.135 -19.157 -10.800 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.371 -20.164 -11.068 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.683 -21.768 -10.912 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.978 -18.604 -7.563 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.513 -18.598 -8.574 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.107 -18.328 -9.316 1.00 11.14 H new ATOM 884 N ILE A 57 -25.641 -19.969 -12.722 1.00 55.45 N ATOM 885 CA ILE A 57 -24.419 -19.281 -13.122 1.00 13.21 C ATOM 886 C ILE A 57 -24.306 -19.243 -14.646 1.00 34.43 C ATOM 887 O ILE A 57 -23.887 -18.244 -15.229 1.00 62.10 O ATOM 888 CB ILE A 57 -23.164 -19.954 -12.525 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.255 -19.998 -10.994 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.902 -19.225 -12.964 1.00 32.31 C ATOM 891 CD1 ILE A 57 -23.534 -18.652 -10.358 1.00 2.10 C ATOM 0 H ILE A 57 -25.489 -20.826 -12.189 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.475 -18.264 -12.735 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.114 -20.977 -12.898 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.042 -20.695 -10.706 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -22.320 -20.391 -10.595 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.030 -19.716 -12.532 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.829 -19.246 -14.051 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.942 -18.190 -12.623 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -23.584 -18.765 -9.275 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.735 -17.956 -10.614 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -24.484 -18.265 -10.727 1.00 2.10 H new ATOM 903 N TYR A 58 -24.716 -20.334 -15.276 1.00 15.22 N ATOM 904 CA TYR A 58 -24.705 -20.449 -16.728 1.00 4.35 C ATOM 905 C TYR A 58 -25.563 -19.352 -17.356 1.00 73.40 C ATOM 906 O TYR A 58 -25.206 -18.785 -18.390 1.00 43.54 O ATOM 907 CB TYR A 58 -25.230 -21.832 -17.131 1.00 3.41 C ATOM 908 CG TYR A 58 -24.997 -22.204 -18.577 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.722 -22.517 -19.030 1.00 21.34 C ATOM 910 CD2 TYR A 58 -26.050 -22.269 -19.480 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.503 -22.884 -20.341 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.837 -22.631 -20.796 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.561 -22.937 -21.220 1.00 54.23 C ATOM 914 OH TYR A 58 -24.341 -23.310 -22.526 1.00 40.03 O ATOM 0 H TYR A 58 -25.065 -21.164 -14.796 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.684 -20.331 -17.090 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.758 -22.583 -16.497 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -26.300 -21.871 -16.929 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.889 -22.472 -18.344 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -27.050 -22.033 -19.148 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.506 -23.129 -20.677 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.665 -22.674 -21.488 1.00 44.13 H new ATOM 0 HH TYR A 58 -25.189 -23.299 -23.017 1.00 40.03 H new ATOM 924 N LYS A 59 -26.690 -19.043 -16.722 1.00 73.42 N ATOM 925 CA LYS A 59 -27.592 -18.026 -17.241 1.00 51.11 C ATOM 926 C LYS A 59 -27.200 -16.618 -16.785 1.00 44.10 C ATOM 927 O LYS A 59 -27.283 -15.673 -17.568 1.00 22.41 O ATOM 928 CB LYS A 59 -29.042 -18.325 -16.846 1.00 13.12 C ATOM 929 CG LYS A 59 -30.032 -17.320 -17.415 1.00 73.15 C ATOM 930 CD LYS A 59 -29.892 -17.197 -18.926 1.00 61.04 C ATOM 931 CE LYS A 59 -30.631 -15.983 -19.458 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.387 -15.786 -20.911 1.00 73.34 N ATOM 0 H LYS A 59 -26.997 -19.480 -15.853 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.508 -18.056 -18.327 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.308 -19.324 -17.191 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.123 -18.331 -15.759 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -31.048 -17.627 -17.166 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.871 -16.346 -16.953 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -28.837 -17.126 -19.190 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -30.280 -18.097 -19.403 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.700 -16.101 -19.281 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.313 -15.095 -18.912 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -30.671 -14.823 -21.183 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.376 -15.919 -21.114 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.943 -16.478 -21.453 1.00 73.34 H new ATOM 946 N VAL A 60 -26.770 -16.463 -15.533 1.00 40.42 N ATOM 947 CA VAL A 60 -26.414 -15.135 -15.029 1.00 13.04 C ATOM 948 C VAL A 60 -25.171 -14.590 -15.733 1.00 62.12 C ATOM 949 O VAL A 60 -25.077 -13.392 -15.991 1.00 21.20 O ATOM 950 CB VAL A 60 -26.202 -15.094 -13.498 1.00 40.25 C ATOM 951 CG1 VAL A 60 -27.470 -15.502 -12.768 1.00 54.03 C ATOM 952 CG2 VAL A 60 -25.029 -15.963 -13.067 1.00 74.32 C ATOM 0 H VAL A 60 -26.661 -17.222 -14.861 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.271 -14.500 -15.254 1.00 13.04 H new ATOM 0 HB VAL A 60 -25.963 -14.065 -13.229 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -27.298 -15.466 -11.692 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -28.277 -14.817 -13.030 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -27.746 -16.516 -13.058 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -24.913 -15.907 -11.985 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -25.215 -16.996 -13.359 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -24.117 -15.609 -13.548 1.00 74.32 H new ATOM 962 N LEU A 61 -24.231 -15.471 -16.056 1.00 32.20 N ATOM 963 CA LEU A 61 -23.073 -15.084 -16.849 1.00 23.13 C ATOM 964 C LEU A 61 -23.470 -15.015 -18.319 1.00 43.05 C ATOM 965 O LEU A 61 -22.890 -14.258 -19.102 1.00 70.44 O ATOM 966 CB LEU A 61 -21.920 -16.080 -16.655 1.00 21.35 C ATOM 967 CG LEU A 61 -21.333 -16.142 -15.246 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.169 -17.120 -15.204 1.00 14.42 C ATOM 969 CD2 LEU A 61 -20.883 -14.763 -14.790 1.00 52.20 C ATOM 0 H LEU A 61 -24.249 -16.453 -15.782 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.729 -14.104 -16.518 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.273 -17.075 -16.926 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.121 -15.824 -17.351 1.00 21.35 H new ATOM 0 HG LEU A 61 -22.109 -16.491 -14.564 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.759 -17.155 -14.194 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.517 -18.113 -15.489 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.395 -16.794 -15.899 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -20.468 -14.830 -13.784 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -20.122 -14.385 -15.472 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -21.736 -14.085 -14.786 1.00 52.20 H new ATOM 981 N ASP A 62 -24.481 -15.813 -18.662 1.00 51.31 N ATOM 982 CA ASP A 62 -25.037 -15.881 -20.013 1.00 11.45 C ATOM 983 C ASP A 62 -23.943 -16.158 -21.035 1.00 35.13 C ATOM 984 O ASP A 62 -23.518 -15.271 -21.779 1.00 45.22 O ATOM 985 CB ASP A 62 -25.798 -14.600 -20.363 1.00 14.42 C ATOM 986 CG ASP A 62 -26.707 -14.775 -21.565 1.00 30.25 C ATOM 987 OD1 ASP A 62 -27.737 -15.480 -21.439 1.00 3.33 O ATOM 988 OD2 ASP A 62 -26.403 -14.212 -22.637 1.00 64.21 O ATOM 0 H ASP A 62 -24.942 -16.438 -18.001 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.746 -16.708 -20.041 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -26.392 -14.288 -19.504 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -25.085 -13.801 -20.564 1.00 14.42 H new ATOM 993 N GLY A 63 -23.469 -17.390 -21.033 1.00 4.15 N ATOM 994 CA GLY A 63 -22.423 -17.792 -21.936 1.00 43.43 C ATOM 995 C GLY A 63 -22.071 -19.244 -21.729 1.00 33.13 C ATOM 996 O GLY A 63 -22.830 -19.982 -21.105 1.00 43.24 O ATOM 0 H GLY A 63 -23.798 -18.128 -20.410 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.743 -17.633 -22.966 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.540 -17.172 -21.778 1.00 43.43 H new ATOM 1000 N LEU A 64 -20.917 -19.649 -22.223 1.00 51.34 N ATOM 1001 CA LEU A 64 -20.486 -21.034 -22.109 1.00 3.45 C ATOM 1002 C LEU A 64 -19.679 -21.252 -20.834 1.00 42.35 C ATOM 1003 O LEU A 64 -18.481 -20.972 -20.786 1.00 0.34 O ATOM 1004 CB LEU A 64 -19.658 -21.443 -23.331 1.00 54.54 C ATOM 1005 CG LEU A 64 -20.398 -21.385 -24.671 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.479 -21.814 -25.805 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -21.641 -22.264 -24.632 1.00 63.23 C ATOM 0 H LEU A 64 -20.258 -19.040 -22.708 1.00 51.34 H new ATOM 0 HA LEU A 64 -21.378 -21.659 -22.063 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -18.783 -20.796 -23.390 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -19.294 -22.459 -23.179 1.00 54.54 H new ATOM 0 HG LEU A 64 -20.709 -20.356 -24.849 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -20.021 -21.767 -26.750 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -18.617 -21.148 -25.847 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -19.140 -22.835 -25.632 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -22.154 -22.211 -25.592 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -21.351 -23.296 -24.432 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -22.308 -21.916 -23.844 1.00 63.23 H new ATOM 1019 N ASN A 65 -20.356 -21.725 -19.798 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.703 -22.055 -18.536 1.00 60.20 C ATOM 1021 C ASN A 65 -19.120 -23.461 -18.614 1.00 64.31 C ATOM 1022 O ASN A 65 -19.854 -24.445 -18.686 1.00 34.35 O ATOM 1023 CB ASN A 65 -20.700 -21.952 -17.378 1.00 11.43 C ATOM 1024 CG ASN A 65 -20.084 -22.302 -16.037 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.887 -22.118 -15.817 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -20.904 -22.803 -15.125 1.00 54.41 N ATOM 0 H ASN A 65 -21.363 -21.890 -19.805 1.00 64.21 H new ATOM 0 HA ASN A 65 -18.895 -21.346 -18.355 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -21.097 -20.938 -17.336 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -21.542 -22.617 -17.570 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -20.549 -23.051 -14.201 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -21.890 -22.940 -15.346 1.00 54.41 H new ATOM 1033 N ILE A 66 -17.799 -23.538 -18.617 1.00 12.30 N ATOM 1034 CA ILE A 66 -17.105 -24.800 -18.839 1.00 41.44 C ATOM 1035 C ILE A 66 -16.637 -25.449 -17.535 1.00 2.50 C ATOM 1036 O ILE A 66 -16.703 -26.666 -17.387 1.00 31.11 O ATOM 1037 CB ILE A 66 -15.899 -24.606 -19.784 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -15.032 -23.427 -19.314 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -16.382 -24.394 -21.214 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -13.843 -23.145 -20.206 1.00 65.41 C ATOM 0 H ILE A 66 -17.182 -22.739 -18.468 1.00 12.30 H new ATOM 0 HA ILE A 66 -17.827 -25.471 -19.304 1.00 41.44 H new ATOM 0 HB ILE A 66 -15.284 -25.506 -19.760 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -15.652 -22.532 -19.259 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -14.676 -23.631 -18.304 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -15.523 -24.258 -21.872 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -16.953 -25.264 -21.538 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -17.015 -23.508 -21.257 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -13.282 -22.300 -19.808 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -13.199 -24.024 -20.242 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -14.191 -22.908 -21.212 1.00 65.41 H new ATOM 1052 N HIS A 67 -16.158 -24.639 -16.599 1.00 15.31 N ATOM 1053 CA HIS A 67 -15.639 -25.139 -15.327 1.00 41.12 C ATOM 1054 C HIS A 67 -15.860 -24.106 -14.231 1.00 13.15 C ATOM 1055 O HIS A 67 -15.852 -22.904 -14.499 1.00 11.25 O ATOM 1056 CB HIS A 67 -14.138 -25.459 -15.421 1.00 61.24 C ATOM 1057 CG HIS A 67 -13.817 -26.822 -15.962 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -13.555 -27.909 -15.155 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -13.694 -27.268 -17.235 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -13.286 -28.961 -15.906 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -13.365 -28.599 -17.170 1.00 5.34 N ATOM 0 H HIS A 67 -16.117 -23.624 -16.696 1.00 15.31 H new ATOM 0 HA HIS A 67 -16.177 -26.057 -15.088 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.660 -24.711 -16.054 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.698 -25.365 -14.428 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -13.830 -26.685 -18.134 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -13.043 -29.950 -15.546 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -13.207 -29.210 -17.972 1.00 5.34 H new ATOM 1070 N ALA A 68 -16.047 -24.573 -13.001 1.00 1.04 N ATOM 1071 CA ALA A 68 -16.229 -23.678 -11.861 1.00 21.21 C ATOM 1072 C ALA A 68 -14.893 -23.089 -11.411 1.00 64.03 C ATOM 1073 O ALA A 68 -14.391 -23.393 -10.326 1.00 11.40 O ATOM 1074 CB ALA A 68 -16.914 -24.404 -10.711 1.00 11.23 C ATOM 0 H ALA A 68 -16.077 -25.565 -12.767 1.00 1.04 H new ATOM 0 HA ALA A 68 -16.871 -22.855 -12.176 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -17.040 -23.720 -9.872 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -17.891 -24.762 -11.037 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -16.302 -25.251 -10.400 1.00 11.23 H new ATOM 1080 N ILE A 69 -14.309 -22.269 -12.270 1.00 52.42 N ATOM 1081 CA ILE A 69 -13.033 -21.630 -11.979 1.00 0.05 C ATOM 1082 C ILE A 69 -13.239 -20.155 -11.648 1.00 34.51 C ATOM 1083 O ILE A 69 -12.684 -19.638 -10.678 1.00 0.24 O ATOM 1084 CB ILE A 69 -12.057 -21.755 -13.173 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -11.836 -23.229 -13.540 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -10.728 -21.076 -12.861 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -11.229 -24.059 -12.427 1.00 43.35 C ATOM 0 H ILE A 69 -14.700 -22.028 -13.181 1.00 52.42 H new ATOM 0 HA ILE A 69 -12.599 -22.140 -11.119 1.00 0.05 H new ATOM 0 HB ILE A 69 -12.504 -21.251 -14.030 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.792 -23.668 -13.827 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -11.186 -23.281 -14.414 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -10.058 -21.177 -13.715 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -10.899 -20.019 -12.657 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -10.276 -21.546 -11.988 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -11.105 -25.087 -12.766 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -10.257 -23.647 -12.155 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -11.887 -24.040 -11.559 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.051 -19.490 -12.460 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.310 -18.065 -12.295 1.00 45.13 C ATOM 1101 C GLN A 70 -15.315 -17.821 -11.176 1.00 54.23 C ATOM 1102 O GLN A 70 -15.210 -16.846 -10.433 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.839 -17.468 -13.602 1.00 3.32 C ATOM 1104 CG GLN A 70 -13.876 -17.590 -14.772 1.00 45.50 C ATOM 1105 CD GLN A 70 -14.492 -17.130 -16.078 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -15.088 -17.918 -16.812 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -14.351 -15.847 -16.377 1.00 43.43 N ATOM 0 H GLN A 70 -14.544 -19.918 -13.244 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.370 -17.580 -12.031 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.775 -17.962 -13.862 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -15.068 -16.414 -13.442 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -12.983 -17.000 -14.567 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -13.557 -18.628 -14.870 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -13.850 -15.227 -15.741 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -14.744 -15.479 -17.243 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.276 -18.723 -11.049 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.361 -18.554 -10.097 1.00 32.34 C ATOM 1118 C ILE A 71 -17.085 -19.321 -8.802 1.00 21.45 C ATOM 1119 O ILE A 71 -16.722 -20.496 -8.827 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.710 -19.015 -10.706 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.845 -18.904 -9.682 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.611 -20.439 -11.242 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.258 -17.480 -9.375 1.00 61.50 C ATOM 0 H ILE A 71 -16.326 -19.583 -11.596 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.427 -17.491 -9.863 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.939 -18.352 -11.540 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.711 -19.451 -10.054 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.535 -19.389 -8.757 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.571 -20.737 -11.663 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -17.845 -20.484 -12.016 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.346 -21.116 -10.430 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.065 -17.485 -8.643 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -19.406 -16.933 -8.972 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -20.601 -16.995 -10.289 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.228 -18.634 -7.678 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.122 -19.266 -6.375 1.00 11.31 C ATOM 1137 C GLN A 72 -18.372 -18.969 -5.563 1.00 41.51 C ATOM 1138 O GLN A 72 -18.672 -17.812 -5.266 1.00 30.42 O ATOM 1139 CB GLN A 72 -15.880 -18.776 -5.630 1.00 73.05 C ATOM 1140 CG GLN A 72 -14.582 -19.061 -6.365 1.00 75.12 C ATOM 1141 CD GLN A 72 -13.356 -18.720 -5.540 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.382 -17.820 -4.702 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -12.274 -19.444 -5.770 1.00 23.21 N ATOM 0 H GLN A 72 -17.419 -17.633 -7.645 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.028 -20.343 -6.516 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -15.966 -17.702 -5.463 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -15.844 -19.249 -4.649 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.549 -20.115 -6.640 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -14.561 -18.489 -7.293 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -12.294 -20.182 -6.474 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -11.419 -19.265 -5.243 1.00 23.21 H new ATOM 1152 N THR A 73 -19.113 -20.008 -5.232 1.00 51.10 N ATOM 1153 CA THR A 73 -20.345 -19.850 -4.490 1.00 71.51 C ATOM 1154 C THR A 73 -20.243 -20.484 -3.109 1.00 31.34 C ATOM 1155 O THR A 73 -19.859 -21.647 -2.972 1.00 0.24 O ATOM 1156 CB THR A 73 -21.530 -20.447 -5.269 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.130 -21.663 -5.915 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.039 -19.463 -6.309 1.00 60.22 C ATOM 0 H THR A 73 -18.881 -20.973 -5.467 1.00 51.10 H new ATOM 0 HA THR A 73 -20.518 -18.782 -4.359 1.00 71.51 H new ATOM 0 HB THR A 73 -22.333 -20.658 -4.562 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.890 -22.037 -6.407 1.00 14.45 H new ATOM 0 HG21 THR A 73 -22.877 -19.905 -6.849 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.367 -18.549 -5.815 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.239 -19.229 -7.011 1.00 60.22 H new ATOM 1166 N GLY A 74 -20.573 -19.704 -2.090 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.482 -20.186 -0.730 1.00 10.41 C ATOM 1168 C GLY A 74 -19.174 -19.792 -0.079 1.00 15.25 C ATOM 1169 O GLY A 74 -18.100 -20.062 -0.615 1.00 44.31 O ATOM 0 H GLY A 74 -20.903 -18.743 -2.183 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.312 -19.787 -0.147 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -20.579 -21.272 -0.722 1.00 10.41 H new ATOM 1173 N CYS A 75 -19.256 -19.136 1.067 1.00 41.31 N ATOM 1174 CA CYS A 75 -18.063 -18.717 1.780 1.00 31.41 C ATOM 1175 C CYS A 75 -17.521 -19.862 2.626 1.00 22.14 C ATOM 1176 O CYS A 75 -18.176 -20.325 3.565 1.00 42.21 O ATOM 1177 CB CYS A 75 -18.372 -17.502 2.655 1.00 54.21 C ATOM 1178 SG CYS A 75 -19.775 -17.742 3.768 1.00 1.04 S ATOM 0 H CYS A 75 -20.134 -18.883 1.521 1.00 41.31 H new ATOM 0 HA CYS A 75 -17.300 -18.437 1.053 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -17.489 -17.258 3.246 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -18.573 -16.645 2.012 1.00 54.21 H new ATOM 0 HG CYS A 75 -19.758 -18.956 4.233 1.00 1.04 H new ATOM 1184 N LYS A 76 -16.325 -20.313 2.281 1.00 72.44 N ATOM 1185 CA LYS A 76 -15.668 -21.403 2.985 1.00 24.13 C ATOM 1186 C LYS A 76 -14.214 -21.497 2.542 1.00 65.44 C ATOM 1187 O LYS A 76 -13.826 -22.522 1.935 1.00 51.21 O ATOM 1188 CB LYS A 76 -16.393 -22.729 2.726 1.00 54.32 C ATOM 1189 CG LYS A 76 -16.648 -23.011 1.250 1.00 62.33 C ATOM 1190 CD LYS A 76 -17.074 -24.450 1.014 1.00 31.01 C ATOM 1191 CE LYS A 76 -16.028 -25.430 1.524 1.00 51.33 C ATOM 1192 NZ LYS A 76 -14.661 -25.096 1.030 1.00 72.41 N ATOM 1193 OXT LYS A 76 -13.476 -20.515 2.754 1.00 0.00 O ATOM 0 H LYS A 76 -15.783 -19.934 1.505 1.00 72.44 H new ATOM 0 HA LYS A 76 -15.702 -21.202 4.056 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -15.802 -23.543 3.145 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -17.346 -22.721 3.255 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -17.422 -22.338 0.880 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -15.744 -22.802 0.679 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -18.024 -24.636 1.515 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -17.238 -24.612 -0.051 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -16.030 -25.428 2.614 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -16.292 -26.439 1.207 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -14.003 -25.859 1.286 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -14.682 -24.990 -0.004 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -14.343 -24.205 1.463 1.00 72.41 H new TER 1207 LYS A 76