USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1208 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 30 GLN : amide:sc= -4.59! C(o=-4.5!,f=-7.6!) USER MOD Set 1.2: A 136 GLN : amide:sc= 0.045 X(o=-4.5,f=-4.7) USER MOD Set 2.1: A 135 LYS NZ :NH3+ -164:sc= 0.705 (180deg=0) USER MOD Set 2.2: A 148 SER OG : rot 168:sc= 0.59 USER MOD Set 3.1: A 119 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Set 3.2: A 121 TYR OH : rot -85:sc= 0.0783 USER MOD Set 4.1: A 100 LYS NZ :NH3+ 170:sc= 0.811 (180deg=0) USER MOD Set 4.2: A 101 THR OG1 : rot -160:sc= 0.437 USER MOD Set 5.1: A 93 LYS NZ :NH3+ 173:sc= -0.0186 (180deg=-0.0507) USER MOD Set 5.2: A 95 MET CE :methyl -115:sc= -0.053 (180deg=-0.247) USER MOD Set 6.1: A 82 THR OG1 : rot 180:sc= -3.02! USER MOD Set 6.2: A 108 ASN :FLIP amide:sc= -1.08 F(o=-5.9!,f=-4.1) USER MOD Set 7.1: A 59 TYR OH : rot -53:sc= -0.0675 USER MOD Set 7.2: A 69 THR OG1 : rot 70:sc= -1.55! USER MOD Set 8.1: A 47 ASN : amide:sc= 0.632 K(o=-3.2,f=-3.9) USER MOD Set 8.2: A 157 ASN : amide:sc= -3.84! C(o=-3.2!,f=-6.5!) USER MOD Set 9.1: A 25 ASN : amide:sc= -7.93! C(o=-8.7!,f=-16!) USER MOD Set 9.2: A 29 ASN : amide:sc= -1.68 K(o=-8.7,f=-11!) USER MOD Set 9.3: A 153 GLN : amide:sc= 0.866 K(o=-8.7,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0292 (180deg=-0.236) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.15) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 16:sc= 0.744 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= 1.32 (180deg=1.17) USER MOD Single : A 56 MET CE :methyl -138:sc= -4.51! (180deg=-6.23!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -106:sc= -0.183 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.15) USER MOD Single : A 75 SER OG : rot 140:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -170:sc= -1.42 USER MOD Single : A 78 GLN : amide:sc= -0.89 X(o=-0.89,f=-0.42) USER MOD Single : A 80 TYR OH : rot 0:sc= -1.04 USER MOD Single : A 84 GLN :FLIP amide:sc= -1.23 F(o=-2.2!,f=-1.2) USER MOD Single : A 88 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.49) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 70:sc= 1.3 USER MOD Single : A 107 THR OG1 : rot -25:sc= -0.0438 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.5!) USER MOD Single : A 123 THR OG1 : rot -67:sc= 1.06 USER MOD Single : A 124 SER OG : rot -80:sc=-0.00394 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -160:sc= 0 USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= -5.11! USER MOD Single : A 150 THR OG1 : rot 53:sc= 0.0873! USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 24.987 3.190 -1.794 1.00 4.20 N ATOM 2 CA ASN A 9 23.667 3.414 -1.168 1.00 4.32 C ATOM 3 C ASN A 9 23.145 2.117 -0.573 1.00 4.11 C ATOM 4 O ASN A 9 23.864 1.116 -0.515 1.00 4.02 O ATOM 5 CB ASN A 9 22.670 3.974 -2.189 1.00 4.41 C ATOM 6 CG ASN A 9 22.917 5.440 -2.495 1.00 4.99 C ATOM 7 OD1 ASN A 9 23.372 6.196 -1.638 1.00 5.29 O ATOM 8 ND2 ASN A 9 22.607 5.858 -3.712 1.00 5.50 N ATOM 0 HA ASN A 9 23.782 4.146 -0.369 1.00 4.32 H new ATOM 0 HB2 ASN A 9 22.736 3.397 -3.111 1.00 4.41 H new ATOM 0 HB3 ASN A 9 21.656 3.851 -1.808 1.00 4.41 H new ATOM 0 HD21 ASN A 9 22.743 6.837 -3.965 1.00 5.50 H new ATOM 0 HD22 ASN A 9 22.232 5.202 -4.397 1.00 5.50 H new ATOM 17 N VAL A 10 21.900 2.135 -0.126 1.00 4.35 N ATOM 18 CA VAL A 10 21.322 0.992 0.552 1.00 4.25 C ATOM 19 C VAL A 10 20.567 0.089 -0.419 1.00 3.43 C ATOM 20 O VAL A 10 19.757 0.556 -1.223 1.00 3.52 O ATOM 21 CB VAL A 10 20.371 1.451 1.671 1.00 5.19 C ATOM 22 CG1 VAL A 10 19.874 0.265 2.485 1.00 5.29 C ATOM 23 CG2 VAL A 10 21.057 2.471 2.568 1.00 6.05 C ATOM 0 H VAL A 10 21.271 2.932 -0.222 1.00 4.35 H new ATOM 0 HA VAL A 10 22.144 0.422 0.986 1.00 4.25 H new ATOM 0 HB VAL A 10 19.506 1.926 1.208 1.00 5.19 H new ATOM 0 HG11 VAL A 10 19.204 0.617 3.269 1.00 5.29 H new ATOM 0 HG12 VAL A 10 19.339 -0.425 1.833 1.00 5.29 H new ATOM 0 HG13 VAL A 10 20.723 -0.248 2.937 1.00 5.29 H new ATOM 0 HG21 VAL A 10 20.370 2.785 3.354 1.00 6.05 H new ATOM 0 HG22 VAL A 10 21.943 2.022 3.018 1.00 6.05 H new ATOM 0 HG23 VAL A 10 21.351 3.338 1.975 1.00 6.05 H new ATOM 33 N LYS A 11 20.876 -1.195 -0.364 1.00 3.01 N ATOM 34 CA LYS A 11 20.160 -2.202 -1.128 1.00 2.38 C ATOM 35 C LYS A 11 19.184 -2.928 -0.203 1.00 2.30 C ATOM 36 O LYS A 11 19.578 -3.417 0.855 1.00 2.75 O ATOM 37 CB LYS A 11 21.158 -3.182 -1.760 1.00 2.57 C ATOM 38 CG LYS A 11 22.247 -2.487 -2.571 1.00 3.33 C ATOM 39 CD LYS A 11 23.329 -3.453 -3.036 1.00 4.00 C ATOM 40 CE LYS A 11 22.846 -4.362 -4.153 1.00 4.63 C ATOM 41 NZ LYS A 11 22.563 -3.613 -5.407 1.00 5.11 N ATOM 0 H LYS A 11 21.630 -1.569 0.212 1.00 3.01 H new ATOM 0 HA LYS A 11 19.596 -1.732 -1.933 1.00 2.38 H new ATOM 0 HB2 LYS A 11 21.623 -3.776 -0.973 1.00 2.57 H new ATOM 0 HB3 LYS A 11 20.618 -3.875 -2.406 1.00 2.57 H new ATOM 0 HG2 LYS A 11 21.798 -2.004 -3.439 1.00 3.33 H new ATOM 0 HG3 LYS A 11 22.700 -1.701 -1.967 1.00 3.33 H new ATOM 0 HD2 LYS A 11 24.195 -2.887 -3.379 1.00 4.00 H new ATOM 0 HD3 LYS A 11 23.658 -4.060 -2.193 1.00 4.00 H new ATOM 0 HE2 LYS A 11 23.600 -5.124 -4.350 1.00 4.63 H new ATOM 0 HE3 LYS A 11 21.944 -4.882 -3.831 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 22.485 -4.281 -6.200 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 21.669 -3.091 -5.305 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 23.336 -2.943 -5.593 1.00 5.11 H new ATOM 55 N TYR A 12 17.920 -3.006 -0.597 1.00 2.26 N ATOM 56 CA TYR A 12 16.880 -3.531 0.287 1.00 2.39 C ATOM 57 C TYR A 12 16.522 -4.973 -0.082 1.00 1.68 C ATOM 58 O TYR A 12 15.877 -5.242 -1.074 1.00 2.15 O ATOM 59 CB TYR A 12 15.640 -2.646 0.199 1.00 3.48 C ATOM 60 CG TYR A 12 15.951 -1.162 0.169 1.00 4.09 C ATOM 61 CD1 TYR A 12 16.309 -0.496 1.331 1.00 4.36 C ATOM 62 CD2 TYR A 12 15.888 -0.432 -1.011 1.00 4.67 C ATOM 63 CE1 TYR A 12 16.597 0.852 1.323 1.00 5.04 C ATOM 64 CE2 TYR A 12 16.176 0.921 -1.028 1.00 5.39 C ATOM 65 CZ TYR A 12 16.510 1.559 0.081 1.00 5.50 C ATOM 66 OH TYR A 12 16.816 2.900 0.138 1.00 6.30 O ATOM 0 H TYR A 12 17.588 -2.715 -1.517 1.00 2.26 H new ATOM 0 HA TYR A 12 17.259 -3.528 1.309 1.00 2.39 H new ATOM 0 HB2 TYR A 12 15.080 -2.909 -0.698 1.00 3.48 H new ATOM 0 HB3 TYR A 12 14.994 -2.856 1.051 1.00 3.48 H new ATOM 0 HD1 TYR A 12 16.363 -1.044 2.260 1.00 4.36 H new ATOM 0 HD2 TYR A 12 15.610 -0.928 -1.929 1.00 4.67 H new ATOM 0 HE1 TYR A 12 16.881 1.362 2.231 1.00 5.04 H new ATOM 0 HE2 TYR A 12 16.127 1.464 -1.960 1.00 5.39 H new ATOM 0 HH TYR A 12 16.729 3.294 -0.755 1.00 6.30 H new ATOM 76 N ASN A 13 16.937 -5.881 0.751 1.00 1.23 N ATOM 77 CA ASN A 13 16.909 -7.285 0.471 1.00 1.00 C ATOM 78 C ASN A 13 15.833 -7.997 1.271 1.00 0.86 C ATOM 79 O ASN A 13 15.618 -7.703 2.435 1.00 1.29 O ATOM 80 CB ASN A 13 18.304 -7.832 0.692 1.00 1.76 C ATOM 81 CG ASN A 13 18.801 -7.716 2.122 1.00 2.67 C ATOM 82 OD1 ASN A 13 19.374 -6.698 2.509 1.00 3.27 O ATOM 83 ND2 ASN A 13 18.617 -8.765 2.906 1.00 3.42 N ATOM 0 H ASN A 13 17.316 -5.658 1.671 1.00 1.23 H new ATOM 0 HA ASN A 13 16.632 -7.465 -0.568 1.00 1.00 H new ATOM 0 HB2 ASN A 13 18.321 -8.881 0.398 1.00 1.76 H new ATOM 0 HB3 ASN A 13 18.996 -7.305 0.035 1.00 1.76 H new ATOM 0 HD21 ASN A 13 18.955 -8.748 3.868 1.00 3.42 H new ATOM 0 HD22 ASN A 13 18.137 -9.591 2.548 1.00 3.42 H new ATOM 90 N PHE A 14 15.187 -8.953 0.631 1.00 0.97 N ATOM 91 CA PHE A 14 13.906 -9.486 1.061 1.00 1.06 C ATOM 92 C PHE A 14 14.010 -10.156 2.418 1.00 0.93 C ATOM 93 O PHE A 14 14.950 -10.896 2.716 1.00 1.27 O ATOM 94 CB PHE A 14 13.346 -10.470 0.020 1.00 1.64 C ATOM 95 CG PHE A 14 13.889 -11.874 0.117 1.00 2.26 C ATOM 96 CD1 PHE A 14 15.207 -12.156 -0.207 1.00 3.13 C ATOM 97 CD2 PHE A 14 13.071 -12.912 0.533 1.00 2.47 C ATOM 98 CE1 PHE A 14 15.696 -13.447 -0.117 1.00 4.16 C ATOM 99 CE2 PHE A 14 13.554 -14.203 0.625 1.00 3.36 C ATOM 100 CZ PHE A 14 14.868 -14.471 0.299 1.00 4.21 C ATOM 0 H PHE A 14 15.544 -9.390 -0.219 1.00 0.97 H new ATOM 0 HA PHE A 14 13.217 -8.646 1.153 1.00 1.06 H new ATOM 0 HB2 PHE A 14 12.262 -10.507 0.123 1.00 1.64 H new ATOM 0 HB3 PHE A 14 13.558 -10.082 -0.976 1.00 1.64 H new ATOM 0 HD1 PHE A 14 15.859 -11.359 -0.533 1.00 3.13 H new ATOM 0 HD2 PHE A 14 12.042 -12.709 0.789 1.00 2.47 H new ATOM 0 HE1 PHE A 14 16.725 -13.654 -0.372 1.00 4.16 H new ATOM 0 HE2 PHE A 14 12.904 -15.001 0.952 1.00 3.36 H new ATOM 0 HZ PHE A 14 15.248 -15.480 0.369 1.00 4.21 H new ATOM 110 N MET A 15 13.039 -9.831 3.241 1.00 0.73 N ATOM 111 CA MET A 15 13.008 -10.217 4.625 1.00 0.74 C ATOM 112 C MET A 15 12.182 -11.472 4.751 1.00 0.70 C ATOM 113 O MET A 15 12.676 -12.538 5.107 1.00 0.79 O ATOM 114 CB MET A 15 12.385 -9.084 5.433 1.00 0.84 C ATOM 115 CG MET A 15 12.364 -9.325 6.935 1.00 1.48 C ATOM 116 SD MET A 15 13.988 -9.727 7.601 1.00 2.32 S ATOM 117 CE MET A 15 13.626 -9.804 9.353 1.00 2.91 C ATOM 0 H MET A 15 12.231 -9.277 2.955 1.00 0.73 H new ATOM 0 HA MET A 15 14.013 -10.410 5.001 1.00 0.74 H new ATOM 0 HB2 MET A 15 12.935 -8.165 5.232 1.00 0.84 H new ATOM 0 HB3 MET A 15 11.363 -8.926 5.088 1.00 0.84 H new ATOM 0 HG2 MET A 15 11.981 -8.436 7.436 1.00 1.48 H new ATOM 0 HG3 MET A 15 11.674 -10.138 7.158 1.00 1.48 H new ATOM 0 HE1 MET A 15 14.536 -10.045 9.902 1.00 2.91 H new ATOM 0 HE2 MET A 15 13.244 -8.840 9.688 1.00 2.91 H new ATOM 0 HE3 MET A 15 12.877 -10.574 9.536 1.00 2.91 H new ATOM 127 N ARG A 16 10.914 -11.320 4.440 1.00 0.61 N ATOM 128 CA ARG A 16 9.976 -12.401 4.496 1.00 0.61 C ATOM 129 C ARG A 16 8.746 -12.072 3.669 1.00 0.56 C ATOM 130 O ARG A 16 8.337 -10.912 3.567 1.00 0.52 O ATOM 131 CB ARG A 16 9.578 -12.636 5.950 1.00 0.63 C ATOM 132 CG ARG A 16 9.304 -11.355 6.740 1.00 0.72 C ATOM 133 CD ARG A 16 7.850 -10.902 6.653 1.00 1.06 C ATOM 134 NE ARG A 16 6.917 -11.988 6.952 1.00 1.64 N ATOM 135 CZ ARG A 16 6.490 -12.286 8.182 1.00 2.09 C ATOM 136 NH1 ARG A 16 6.916 -11.588 9.227 1.00 2.43 N ATOM 137 NH2 ARG A 16 5.644 -13.289 8.369 1.00 2.73 N ATOM 0 H ARG A 16 10.509 -10.433 4.140 1.00 0.61 H new ATOM 0 HA ARG A 16 10.435 -13.302 4.089 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.686 -13.262 5.974 1.00 0.63 H new ATOM 0 HB3 ARG A 16 10.372 -13.193 6.447 1.00 0.63 H new ATOM 0 HG2 ARG A 16 9.567 -11.516 7.785 1.00 0.72 H new ATOM 0 HG3 ARG A 16 9.950 -10.560 6.368 1.00 0.72 H new ATOM 0 HD2 ARG A 16 7.684 -10.080 7.350 1.00 1.06 H new ATOM 0 HD3 ARG A 16 7.650 -10.517 5.653 1.00 1.06 H new ATOM 0 HE ARG A 16 6.572 -12.551 6.175 1.00 1.64 H new ATOM 0 HH11 ARG A 16 7.573 -10.819 9.093 1.00 2.43 H new ATOM 0 HH12 ARG A 16 6.586 -11.820 10.164 1.00 2.43 H new ATOM 0 HH21 ARG A 16 5.317 -13.836 7.572 1.00 2.73 H new ATOM 0 HH22 ARG A 16 5.320 -13.514 9.310 1.00 2.73 H new ATOM 151 N ILE A 17 8.177 -13.103 3.081 1.00 0.62 N ATOM 152 CA ILE A 17 6.937 -12.985 2.336 1.00 0.61 C ATOM 153 C ILE A 17 5.770 -12.960 3.308 1.00 0.57 C ATOM 154 O ILE A 17 5.558 -13.902 4.071 1.00 0.64 O ATOM 155 CB ILE A 17 6.770 -14.126 1.298 1.00 0.73 C ATOM 156 CG1 ILE A 17 5.415 -14.009 0.589 1.00 1.68 C ATOM 157 CG2 ILE A 17 6.927 -15.497 1.949 1.00 1.41 C ATOM 158 CD1 ILE A 17 5.228 -15.001 -0.538 1.00 2.26 C ATOM 0 H ILE A 17 8.560 -14.048 3.105 1.00 0.62 H new ATOM 0 HA ILE A 17 6.962 -12.053 1.772 1.00 0.61 H new ATOM 0 HB ILE A 17 7.560 -14.024 0.554 1.00 0.73 H new ATOM 0 HG12 ILE A 17 4.619 -14.150 1.320 1.00 1.68 H new ATOM 0 HG13 ILE A 17 5.309 -12.999 0.193 1.00 1.68 H new ATOM 0 HG21 ILE A 17 6.804 -16.274 1.195 1.00 1.41 H new ATOM 0 HG22 ILE A 17 7.919 -15.577 2.394 1.00 1.41 H new ATOM 0 HG23 ILE A 17 6.170 -15.621 2.724 1.00 1.41 H new ATOM 0 HD11 ILE A 17 4.247 -14.857 -0.991 1.00 2.26 H new ATOM 0 HD12 ILE A 17 6.001 -14.847 -1.291 1.00 2.26 H new ATOM 0 HD13 ILE A 17 5.301 -16.015 -0.146 1.00 2.26 H new ATOM 170 N ILE A 18 5.054 -11.856 3.324 1.00 0.49 N ATOM 171 CA ILE A 18 3.984 -11.666 4.279 1.00 0.48 C ATOM 172 C ILE A 18 2.677 -12.222 3.718 1.00 0.48 C ATOM 173 O ILE A 18 2.631 -13.349 3.222 1.00 0.52 O ATOM 174 CB ILE A 18 3.813 -10.179 4.685 1.00 0.44 C ATOM 175 CG1 ILE A 18 5.177 -9.511 4.860 1.00 0.44 C ATOM 176 CG2 ILE A 18 3.021 -10.063 5.987 1.00 0.50 C ATOM 177 CD1 ILE A 18 5.094 -8.057 5.273 1.00 0.94 C ATOM 0 H ILE A 18 5.194 -11.074 2.684 1.00 0.49 H new ATOM 0 HA ILE A 18 4.251 -12.213 5.183 1.00 0.48 H new ATOM 0 HB ILE A 18 3.266 -9.675 3.889 1.00 0.44 H new ATOM 0 HG12 ILE A 18 5.747 -10.060 5.609 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.730 -9.582 3.923 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.912 -9.012 6.254 1.00 0.50 H new ATOM 0 HG22 ILE A 18 2.035 -10.507 5.854 1.00 0.50 H new ATOM 0 HG23 ILE A 18 3.550 -10.587 6.783 1.00 0.50 H new ATOM 0 HD11 ILE A 18 6.100 -7.651 5.378 1.00 0.94 H new ATOM 0 HD12 ILE A 18 4.552 -7.493 4.514 1.00 0.94 H new ATOM 0 HD13 ILE A 18 4.570 -7.979 6.226 1.00 0.94 H new ATOM 189 N LYS A 19 1.629 -11.438 3.806 1.00 0.45 N ATOM 190 CA LYS A 19 0.287 -11.926 3.515 1.00 0.46 C ATOM 191 C LYS A 19 -0.239 -11.324 2.222 1.00 0.42 C ATOM 192 O LYS A 19 0.215 -10.271 1.802 1.00 0.49 O ATOM 193 CB LYS A 19 -0.652 -11.647 4.694 1.00 0.54 C ATOM 194 CG LYS A 19 -0.673 -10.200 5.160 1.00 1.13 C ATOM 195 CD LYS A 19 -1.179 -10.100 6.594 1.00 1.85 C ATOM 196 CE LYS A 19 -2.587 -10.660 6.736 1.00 2.57 C ATOM 197 NZ LYS A 19 -2.885 -11.077 8.131 1.00 2.68 N ATOM 0 H LYS A 19 1.672 -10.456 4.077 1.00 0.45 H new ATOM 0 HA LYS A 19 0.332 -13.006 3.375 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -1.664 -11.939 4.412 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -0.360 -12.280 5.532 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.329 -9.777 5.093 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -1.312 -9.611 4.502 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -0.504 -10.642 7.256 1.00 1.85 H new ATOM 0 HD3 LYS A 19 -1.169 -9.057 6.911 1.00 1.85 H new ATOM 0 HE2 LYS A 19 -3.310 -9.907 6.421 1.00 2.57 H new ATOM 0 HE3 LYS A 19 -2.706 -11.514 6.070 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 -3.854 -11.452 8.182 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 -2.213 -11.814 8.424 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 -2.798 -10.257 8.765 1.00 2.68 H new ATOM 211 N TYR A 20 -1.226 -11.968 1.622 1.00 0.37 N ATOM 212 CA TYR A 20 -1.638 -11.632 0.268 1.00 0.41 C ATOM 213 C TYR A 20 -3.118 -11.883 0.067 1.00 0.31 C ATOM 214 O TYR A 20 -3.732 -12.649 0.812 1.00 0.33 O ATOM 215 CB TYR A 20 -0.852 -12.485 -0.733 1.00 0.67 C ATOM 216 CG TYR A 20 -1.003 -13.976 -0.499 1.00 1.13 C ATOM 217 CD1 TYR A 20 -0.153 -14.654 0.369 1.00 1.45 C ATOM 218 CD2 TYR A 20 -2.004 -14.699 -1.131 1.00 1.34 C ATOM 219 CE1 TYR A 20 -0.299 -16.009 0.594 1.00 1.93 C ATOM 220 CE2 TYR A 20 -2.157 -16.051 -0.908 1.00 1.82 C ATOM 221 CZ TYR A 20 -1.302 -16.701 -0.045 1.00 2.10 C ATOM 222 OH TYR A 20 -1.459 -18.049 0.183 1.00 2.59 O ATOM 0 H TYR A 20 -1.757 -12.726 2.050 1.00 0.37 H new ATOM 0 HA TYR A 20 -1.437 -10.573 0.107 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -1.185 -12.247 -1.743 1.00 0.67 H new ATOM 0 HB3 TYR A 20 0.204 -12.220 -0.675 1.00 0.67 H new ATOM 0 HD1 TYR A 20 0.633 -14.113 0.875 1.00 1.45 H new ATOM 0 HD2 TYR A 20 -2.675 -14.194 -1.810 1.00 1.34 H new ATOM 0 HE1 TYR A 20 0.371 -16.523 1.268 1.00 1.93 H new ATOM 0 HE2 TYR A 20 -2.943 -16.598 -1.407 1.00 1.82 H new ATOM 0 HH TYR A 20 -2.213 -18.384 -0.345 1.00 2.59 H new ATOM 232 N GLU A 21 -3.672 -11.232 -0.950 1.00 0.33 N ATOM 233 CA GLU A 21 -5.045 -11.465 -1.371 1.00 0.32 C ATOM 234 C GLU A 21 -6.035 -11.211 -0.249 1.00 0.28 C ATOM 235 O GLU A 21 -7.033 -11.918 -0.097 1.00 0.30 O ATOM 236 CB GLU A 21 -5.183 -12.876 -1.921 1.00 0.35 C ATOM 237 CG GLU A 21 -4.631 -13.015 -3.332 1.00 0.98 C ATOM 238 CD GLU A 21 -4.878 -14.375 -3.946 1.00 1.16 C ATOM 239 OE1 GLU A 21 -6.049 -14.699 -4.237 1.00 1.53 O ATOM 240 OE2 GLU A 21 -3.901 -15.125 -4.155 1.00 1.73 O ATOM 0 H GLU A 21 -3.181 -10.530 -1.504 1.00 0.33 H new ATOM 0 HA GLU A 21 -5.283 -10.753 -2.162 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -4.662 -13.571 -1.262 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -6.235 -13.161 -1.917 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -5.081 -12.252 -3.966 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -3.558 -12.823 -3.314 1.00 0.98 H new ATOM 247 N PHE A 22 -5.734 -10.192 0.526 1.00 0.26 N ATOM 248 CA PHE A 22 -6.641 -9.677 1.520 1.00 0.26 C ATOM 249 C PHE A 22 -7.179 -8.392 0.961 1.00 0.24 C ATOM 250 O PHE A 22 -6.510 -7.740 0.160 1.00 0.27 O ATOM 251 CB PHE A 22 -5.937 -9.443 2.861 1.00 0.32 C ATOM 252 CG PHE A 22 -5.667 -10.712 3.622 1.00 1.08 C ATOM 253 CD1 PHE A 22 -6.651 -11.276 4.419 1.00 1.98 C ATOM 254 CD2 PHE A 22 -4.438 -11.344 3.538 1.00 1.15 C ATOM 255 CE1 PHE A 22 -6.415 -12.445 5.116 1.00 2.89 C ATOM 256 CE2 PHE A 22 -4.195 -12.514 4.232 1.00 2.05 C ATOM 257 CZ PHE A 22 -5.186 -13.065 5.023 1.00 2.92 C ATOM 0 H PHE A 22 -4.844 -9.695 0.481 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.440 -10.389 1.725 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -4.994 -8.927 2.683 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -6.550 -8.783 3.475 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -7.615 -10.795 4.496 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.660 -10.917 2.923 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -7.191 -12.873 5.733 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -3.232 -12.997 4.157 1.00 2.05 H new ATOM 0 HZ PHE A 22 -4.998 -13.979 5.567 1.00 2.92 H new ATOM 267 N ILE A 23 -8.329 -7.981 1.401 1.00 0.22 N ATOM 268 CA ILE A 23 -8.973 -6.871 0.763 1.00 0.21 C ATOM 269 C ILE A 23 -8.669 -5.638 1.547 1.00 0.19 C ATOM 270 O ILE A 23 -8.709 -5.633 2.774 1.00 0.22 O ATOM 271 CB ILE A 23 -10.498 -7.049 0.677 1.00 0.28 C ATOM 272 CG1 ILE A 23 -10.847 -8.358 -0.037 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.133 -5.864 -0.040 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.305 -8.445 -1.447 1.00 0.84 C ATOM 0 H ILE A 23 -8.836 -8.389 2.187 1.00 0.22 H new ATOM 0 HA ILE A 23 -8.595 -6.800 -0.257 1.00 0.21 H new ATOM 0 HB ILE A 23 -10.897 -7.094 1.690 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -10.458 -9.194 0.545 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -11.931 -8.468 -0.067 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.212 -6.006 -0.092 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -10.914 -4.947 0.508 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -10.728 -5.790 -1.049 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -10.592 -9.399 -1.889 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -10.714 -7.631 -2.045 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -9.218 -8.368 -1.424 1.00 0.84 H new ATOM 286 N LEU A 24 -8.346 -4.597 0.839 1.00 0.18 N ATOM 287 CA LEU A 24 -7.958 -3.380 1.496 1.00 0.19 C ATOM 288 C LEU A 24 -9.131 -2.442 1.559 1.00 0.20 C ATOM 289 O LEU A 24 -9.717 -2.076 0.541 1.00 0.23 O ATOM 290 CB LEU A 24 -6.786 -2.719 0.772 1.00 0.23 C ATOM 291 CG LEU A 24 -6.076 -1.647 1.588 1.00 0.53 C ATOM 292 CD1 LEU A 24 -4.616 -1.540 1.179 1.00 1.32 C ATOM 293 CD2 LEU A 24 -6.758 -0.292 1.450 1.00 1.41 C ATOM 0 H LEU A 24 -8.342 -4.562 -0.180 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.635 -3.619 2.509 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.064 -3.487 0.495 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -7.149 -2.274 -0.154 1.00 0.23 H new ATOM 0 HG LEU A 24 -6.130 -1.946 2.635 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.127 -0.769 1.774 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -4.120 -2.496 1.347 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -4.552 -1.278 0.123 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -6.223 0.447 2.046 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -6.753 0.013 0.404 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -7.787 -0.365 1.801 1.00 1.41 H new ATOM 305 N ASN A 25 -9.469 -2.076 2.774 1.00 0.19 N ATOM 306 CA ASN A 25 -10.534 -1.146 3.035 1.00 0.19 C ATOM 307 C ASN A 25 -10.019 -0.118 4.020 1.00 0.18 C ATOM 308 O ASN A 25 -9.229 -0.463 4.866 1.00 0.22 O ATOM 309 CB ASN A 25 -11.699 -1.937 3.620 1.00 0.29 C ATOM 310 CG ASN A 25 -12.938 -1.122 3.861 1.00 0.92 C ATOM 311 OD1 ASN A 25 -13.147 -0.612 4.949 1.00 1.74 O ATOM 312 ND2 ASN A 25 -13.782 -1.016 2.849 1.00 1.72 N ATOM 0 H ASN A 25 -9.005 -2.421 3.614 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.869 -0.632 2.134 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.943 -2.757 2.944 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -11.383 -2.384 4.562 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -14.649 -0.491 2.961 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -13.566 -1.459 1.956 1.00 1.72 H new ATOM 319 N ASP A 26 -10.429 1.124 3.909 1.00 0.16 N ATOM 320 CA ASP A 26 -9.999 2.145 4.865 1.00 0.17 C ATOM 321 C ASP A 26 -10.987 2.277 5.996 1.00 0.18 C ATOM 322 O ASP A 26 -11.963 1.549 6.078 1.00 0.20 O ATOM 323 CB ASP A 26 -9.834 3.525 4.185 1.00 0.19 C ATOM 324 CG ASP A 26 -11.056 4.010 3.460 1.00 0.40 C ATOM 325 OD1 ASP A 26 -12.047 3.262 3.409 1.00 0.66 O ATOM 326 OD2 ASP A 26 -11.026 5.123 2.935 1.00 1.04 O ATOM 0 H ASP A 26 -11.054 1.460 3.177 1.00 0.16 H new ATOM 0 HA ASP A 26 -9.034 1.823 5.257 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -9.561 4.259 4.943 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -9.005 3.472 3.479 1.00 0.19 H new ATOM 331 N ALA A 27 -10.699 3.191 6.885 1.00 0.21 N ATOM 332 CA ALA A 27 -11.574 3.453 8.026 1.00 0.25 C ATOM 333 C ALA A 27 -12.835 4.095 7.514 1.00 0.24 C ATOM 334 O ALA A 27 -13.883 4.089 8.162 1.00 0.28 O ATOM 335 CB ALA A 27 -10.911 4.350 9.057 1.00 0.32 C ATOM 0 H ALA A 27 -9.864 3.776 6.851 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.796 2.509 8.524 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.597 4.518 9.887 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -10.004 3.871 9.427 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.656 5.305 8.598 1.00 0.32 H new ATOM 341 N LEU A 28 -12.708 4.634 6.320 1.00 0.21 N ATOM 342 CA LEU A 28 -13.862 5.210 5.617 1.00 0.24 C ATOM 343 C LEU A 28 -14.762 4.096 5.130 1.00 0.23 C ATOM 344 O LEU A 28 -15.963 4.267 4.909 1.00 0.29 O ATOM 345 CB LEU A 28 -13.418 6.041 4.416 1.00 0.25 C ATOM 346 CG LEU A 28 -12.678 7.317 4.751 1.00 0.31 C ATOM 347 CD1 LEU A 28 -12.355 8.094 3.486 1.00 0.48 C ATOM 348 CD2 LEU A 28 -13.495 8.166 5.719 1.00 0.48 C ATOM 0 H LEU A 28 -11.827 4.691 5.808 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.395 5.856 6.314 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.778 5.424 3.785 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.298 6.295 3.826 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.737 7.057 5.236 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -11.823 9.009 3.747 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -11.730 7.484 2.834 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -13.280 8.348 2.969 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -12.949 9.081 5.951 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -14.452 8.420 5.262 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -13.669 7.605 6.637 1.00 0.48 H new ATOM 360 N ASN A 29 -14.123 2.956 5.022 1.00 0.20 N ATOM 361 CA ASN A 29 -14.639 1.761 4.406 1.00 0.23 C ATOM 362 C ASN A 29 -14.922 2.016 2.954 1.00 0.24 C ATOM 363 O ASN A 29 -16.073 2.097 2.532 1.00 0.28 O ATOM 364 CB ASN A 29 -15.928 1.264 5.066 1.00 0.29 C ATOM 365 CG ASN A 29 -16.334 -0.129 4.634 1.00 0.60 C ATOM 366 OD1 ASN A 29 -17.019 -0.310 3.628 1.00 1.32 O ATOM 367 ND2 ASN A 29 -15.939 -1.125 5.410 1.00 1.30 N ATOM 0 H ASN A 29 -13.177 2.832 5.382 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.875 0.994 4.529 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -15.800 1.276 6.148 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -16.736 1.957 4.833 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -16.202 -2.084 5.182 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -15.372 -0.934 6.236 1.00 1.30 H new ATOM 374 N GLN A 30 -13.872 2.107 2.188 1.00 0.23 N ATOM 375 CA GLN A 30 -13.970 1.968 0.788 1.00 0.24 C ATOM 376 C GLN A 30 -12.890 1.005 0.408 1.00 0.22 C ATOM 377 O GLN A 30 -11.706 1.322 0.505 1.00 0.28 O ATOM 378 CB GLN A 30 -13.773 3.318 0.089 1.00 0.36 C ATOM 379 CG GLN A 30 -15.060 4.065 -0.236 1.00 0.98 C ATOM 380 CD GLN A 30 -15.810 4.549 0.987 1.00 1.41 C ATOM 381 OE1 GLN A 30 -15.220 4.834 2.021 1.00 2.21 O ATOM 382 NE2 GLN A 30 -17.124 4.657 0.875 1.00 1.84 N ATOM 0 H GLN A 30 -12.927 2.280 2.531 1.00 0.23 H new ATOM 0 HA GLN A 30 -14.954 1.609 0.486 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -13.152 3.952 0.722 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -13.221 3.154 -0.837 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -14.823 4.921 -0.868 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -15.712 3.412 -0.816 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -17.583 4.411 -0.002 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -17.678 4.987 1.666 1.00 1.84 H new ATOM 391 N SER A 31 -13.275 -0.181 -0.002 1.00 0.23 N ATOM 392 CA SER A 31 -12.293 -1.117 -0.421 1.00 0.26 C ATOM 393 C SER A 31 -11.712 -0.588 -1.720 1.00 0.21 C ATOM 394 O SER A 31 -12.435 -0.349 -2.685 1.00 0.21 O ATOM 395 CB SER A 31 -12.922 -2.506 -0.544 1.00 0.36 C ATOM 396 OG SER A 31 -14.157 -2.460 -1.235 1.00 1.23 O ATOM 0 H SER A 31 -14.242 -0.503 -0.050 1.00 0.23 H new ATOM 0 HA SER A 31 -11.483 -1.229 0.300 1.00 0.26 H new ATOM 0 HB2 SER A 31 -12.236 -3.172 -1.068 1.00 0.36 H new ATOM 0 HB3 SER A 31 -13.076 -2.925 0.450 1.00 0.36 H new ATOM 0 HG SER A 31 -14.232 -1.609 -1.714 1.00 1.23 H new ATOM 402 N ILE A 32 -10.414 -0.381 -1.723 1.00 0.21 N ATOM 403 CA ILE A 32 -9.771 0.357 -2.788 1.00 0.20 C ATOM 404 C ILE A 32 -9.630 -0.486 -4.074 1.00 0.21 C ATOM 405 O ILE A 32 -8.821 -1.409 -4.138 1.00 0.24 O ATOM 406 CB ILE A 32 -8.399 0.912 -2.342 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.732 1.684 -3.478 1.00 1.11 C ATOM 408 CG2 ILE A 32 -7.493 -0.202 -1.839 1.00 1.23 C ATOM 409 CD1 ILE A 32 -6.426 2.328 -3.074 1.00 1.72 C ATOM 0 H ILE A 32 -9.780 -0.715 -0.997 1.00 0.21 H new ATOM 0 HA ILE A 32 -10.419 1.202 -3.021 1.00 0.20 H new ATOM 0 HB ILE A 32 -8.569 1.602 -1.515 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.553 1.006 -4.313 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -8.415 2.455 -3.835 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -6.535 0.218 -1.532 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -7.962 -0.696 -0.988 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -7.332 -0.928 -2.636 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -6.004 2.861 -3.926 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -6.603 3.030 -2.259 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -5.727 1.559 -2.745 1.00 1.72 H new ATOM 421 N ILE A 33 -10.449 -0.204 -5.079 1.00 0.21 N ATOM 422 CA ILE A 33 -10.473 -1.029 -6.290 1.00 0.24 C ATOM 423 C ILE A 33 -9.653 -0.384 -7.418 1.00 0.24 C ATOM 424 O ILE A 33 -9.448 0.831 -7.448 1.00 0.24 O ATOM 425 CB ILE A 33 -11.914 -1.244 -6.803 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.889 -1.402 -5.632 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.972 -2.475 -7.697 1.00 0.77 C ATOM 428 CD1 ILE A 33 -14.339 -1.539 -6.054 1.00 0.91 C ATOM 0 H ILE A 33 -11.101 0.580 -5.085 1.00 0.21 H new ATOM 0 HA ILE A 33 -10.037 -1.990 -6.017 1.00 0.24 H new ATOM 0 HB ILE A 33 -12.207 -0.368 -7.381 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.605 -2.280 -5.052 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.793 -0.539 -4.973 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.992 -2.618 -8.054 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -11.306 -2.338 -8.549 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.660 -3.352 -7.130 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.967 -1.647 -5.169 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.642 -0.651 -6.608 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.452 -2.418 -6.688 1.00 0.91 H new ATOM 440 N ARG A 34 -9.186 -1.218 -8.338 1.00 0.31 N ATOM 441 CA ARG A 34 -8.412 -0.773 -9.487 1.00 0.35 C ATOM 442 C ARG A 34 -9.340 -0.306 -10.601 1.00 0.36 C ATOM 443 O ARG A 34 -10.062 -1.111 -11.192 1.00 0.42 O ATOM 444 CB ARG A 34 -7.538 -1.935 -9.969 1.00 0.48 C ATOM 445 CG ARG A 34 -6.825 -1.720 -11.293 1.00 1.04 C ATOM 446 CD ARG A 34 -6.079 -2.986 -11.683 1.00 1.16 C ATOM 447 NE ARG A 34 -5.559 -2.961 -13.048 1.00 1.48 N ATOM 448 CZ ARG A 34 -5.722 -3.966 -13.911 1.00 1.79 C ATOM 449 NH1 ARG A 34 -6.496 -4.998 -13.599 1.00 2.09 N ATOM 450 NH2 ARG A 34 -5.127 -3.938 -15.093 1.00 2.47 N ATOM 0 H ARG A 34 -9.335 -2.227 -8.307 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.779 0.068 -9.203 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -6.790 -2.144 -9.204 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -8.163 -2.824 -10.054 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -7.546 -1.458 -12.067 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -6.128 -0.886 -11.211 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -5.251 -3.138 -10.990 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -6.747 -3.840 -11.573 1.00 1.16 H new ATOM 0 HE ARG A 34 -5.046 -2.135 -13.357 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -6.970 -5.026 -12.696 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -6.617 -5.763 -14.262 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -4.539 -3.145 -15.349 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -5.256 -4.710 -15.747 1.00 2.47 H new ATOM 464 N ALA A 35 -9.316 0.990 -10.885 1.00 0.37 N ATOM 465 CA ALA A 35 -10.154 1.550 -11.935 1.00 0.46 C ATOM 466 C ALA A 35 -9.375 1.570 -13.234 1.00 0.53 C ATOM 467 O ALA A 35 -9.895 1.265 -14.309 1.00 0.63 O ATOM 468 CB ALA A 35 -10.616 2.951 -11.561 1.00 0.54 C ATOM 0 H ALA A 35 -8.727 1.670 -10.404 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.042 0.930 -12.059 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.241 3.353 -12.358 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -11.190 2.910 -10.635 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -9.748 3.595 -11.421 1.00 0.54 H new ATOM 474 N ASN A 36 -8.105 1.904 -13.095 1.00 0.53 N ATOM 475 CA ASN A 36 -7.169 1.935 -14.202 1.00 0.66 C ATOM 476 C ASN A 36 -5.828 1.451 -13.700 1.00 0.65 C ATOM 477 O ASN A 36 -5.617 1.339 -12.493 1.00 0.55 O ATOM 478 CB ASN A 36 -7.020 3.354 -14.773 1.00 0.76 C ATOM 479 CG ASN A 36 -8.226 3.815 -15.571 1.00 1.43 C ATOM 480 OD1 ASN A 36 -9.141 4.439 -15.035 1.00 2.25 O ATOM 481 ND2 ASN A 36 -8.229 3.517 -16.862 1.00 1.93 N ATOM 0 H ASN A 36 -7.691 2.164 -12.200 1.00 0.53 H new ATOM 0 HA ASN A 36 -7.542 1.294 -15.000 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -6.849 4.051 -13.953 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -6.137 3.390 -15.411 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -9.010 3.807 -17.451 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -7.450 2.998 -17.267 1.00 1.93 H new ATOM 488 N ASP A 37 -4.928 1.148 -14.612 1.00 0.81 N ATOM 489 CA ASP A 37 -3.589 0.720 -14.238 1.00 0.88 C ATOM 490 C ASP A 37 -2.752 1.902 -13.762 1.00 0.79 C ATOM 491 O ASP A 37 -1.606 1.739 -13.356 1.00 0.88 O ATOM 492 CB ASP A 37 -2.892 0.024 -15.407 1.00 1.10 C ATOM 493 CG ASP A 37 -3.512 -1.316 -15.730 1.00 1.76 C ATOM 494 OD1 ASP A 37 -4.514 -1.351 -16.474 1.00 2.10 O ATOM 495 OD2 ASP A 37 -3.014 -2.343 -15.227 1.00 2.51 O ATOM 0 H ASP A 37 -5.095 1.189 -15.617 1.00 0.81 H new ATOM 0 HA ASP A 37 -3.687 0.010 -13.417 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -2.938 0.665 -16.288 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -1.838 -0.114 -15.168 1.00 1.10 H new ATOM 500 N GLN A 38 -3.331 3.095 -13.835 1.00 0.68 N ATOM 501 CA GLN A 38 -2.650 4.309 -13.399 1.00 0.60 C ATOM 502 C GLN A 38 -3.431 4.997 -12.285 1.00 0.44 C ATOM 503 O GLN A 38 -2.878 5.785 -11.521 1.00 0.39 O ATOM 504 CB GLN A 38 -2.467 5.267 -14.576 1.00 0.71 C ATOM 505 CG GLN A 38 -1.532 4.740 -15.649 1.00 1.53 C ATOM 506 CD GLN A 38 -1.581 5.564 -16.919 1.00 2.01 C ATOM 507 OE1 GLN A 38 -2.368 5.281 -17.821 1.00 2.57 O ATOM 508 NE2 GLN A 38 -0.751 6.593 -16.996 1.00 2.58 N ATOM 0 H GLN A 38 -4.274 3.248 -14.193 1.00 0.68 H new ATOM 0 HA GLN A 38 -1.670 4.029 -13.013 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -3.440 5.471 -15.022 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -2.082 6.216 -14.204 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -0.512 4.731 -15.265 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -1.795 3.708 -15.880 1.00 1.53 H new ATOM 0 HE21 GLN A 38 -0.114 6.793 -16.225 1.00 2.58 H new ATOM 0 HE22 GLN A 38 -0.749 7.185 -17.826 1.00 2.58 H new ATOM 517 N TYR A 39 -4.723 4.696 -12.202 1.00 0.43 N ATOM 518 CA TYR A 39 -5.586 5.308 -11.201 1.00 0.41 C ATOM 519 C TYR A 39 -6.292 4.252 -10.363 1.00 0.34 C ATOM 520 O TYR A 39 -6.846 3.288 -10.894 1.00 0.36 O ATOM 521 CB TYR A 39 -6.633 6.210 -11.859 1.00 0.64 C ATOM 522 CG TYR A 39 -6.134 7.588 -12.220 1.00 0.92 C ATOM 523 CD1 TYR A 39 -5.530 7.820 -13.449 1.00 1.31 C ATOM 524 CD2 TYR A 39 -6.249 8.652 -11.332 1.00 1.50 C ATOM 525 CE1 TYR A 39 -5.058 9.072 -13.787 1.00 1.97 C ATOM 526 CE2 TYR A 39 -5.776 9.907 -11.664 1.00 2.23 C ATOM 527 CZ TYR A 39 -5.246 10.139 -12.876 1.00 2.39 C ATOM 528 OH TYR A 39 -4.702 11.361 -13.224 1.00 3.17 O ATOM 0 H TYR A 39 -5.194 4.032 -12.816 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.950 5.909 -10.552 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -6.999 5.722 -12.762 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -7.483 6.310 -11.184 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -5.428 7.007 -14.152 1.00 1.31 H new ATOM 0 HD2 TYR A 39 -6.714 8.495 -10.370 1.00 1.50 H new ATOM 0 HE1 TYR A 39 -4.555 9.235 -14.729 1.00 1.97 H new ATOM 0 HE2 TYR A 39 -5.833 10.709 -10.942 1.00 2.23 H new ATOM 0 HH TYR A 39 -4.896 12.017 -12.522 1.00 3.17 H new ATOM 538 N LEU A 40 -6.292 4.451 -9.059 1.00 0.31 N ATOM 539 CA LEU A 40 -6.991 3.554 -8.158 1.00 0.28 C ATOM 540 C LEU A 40 -8.008 4.328 -7.348 1.00 0.25 C ATOM 541 O LEU A 40 -7.723 5.416 -6.852 1.00 0.29 O ATOM 542 CB LEU A 40 -6.011 2.841 -7.231 1.00 0.30 C ATOM 543 CG LEU A 40 -6.155 1.324 -7.204 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.693 0.729 -8.520 1.00 1.21 C ATOM 545 CD2 LEU A 40 -5.373 0.727 -6.047 1.00 1.31 C ATOM 0 H LEU A 40 -5.815 5.227 -8.599 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.506 2.799 -8.753 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -4.995 3.091 -7.536 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -6.144 3.224 -6.219 1.00 0.30 H new ATOM 0 HG LEU A 40 -7.208 1.082 -7.061 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -5.801 -0.355 -8.487 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -6.299 1.130 -9.333 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.647 0.984 -8.687 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -5.491 -0.357 -6.049 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -4.317 0.977 -6.154 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -5.748 1.131 -5.107 1.00 1.31 H new ATOM 557 N THR A 41 -9.197 3.771 -7.224 1.00 0.24 N ATOM 558 CA THR A 41 -10.270 4.436 -6.519 1.00 0.22 C ATOM 559 C THR A 41 -10.896 3.483 -5.514 1.00 0.19 C ATOM 560 O THR A 41 -11.176 2.328 -5.821 1.00 0.21 O ATOM 561 CB THR A 41 -11.344 4.933 -7.508 1.00 0.27 C ATOM 562 OG1 THR A 41 -10.721 5.697 -8.547 1.00 1.36 O ATOM 563 CG2 THR A 41 -12.388 5.792 -6.808 1.00 1.28 C ATOM 0 H THR A 41 -9.443 2.857 -7.604 1.00 0.24 H new ATOM 0 HA THR A 41 -9.858 5.297 -5.993 1.00 0.22 H new ATOM 0 HB THR A 41 -11.845 4.062 -7.930 1.00 0.27 H new ATOM 0 HG1 THR A 41 -11.404 6.011 -9.176 1.00 1.36 H new ATOM 0 HG21 THR A 41 -13.130 6.126 -7.533 1.00 1.28 H new ATOM 0 HG22 THR A 41 -12.879 5.207 -6.030 1.00 1.28 H new ATOM 0 HG23 THR A 41 -11.904 6.659 -6.359 1.00 1.28 H new ATOM 571 N ALA A 42 -11.124 3.987 -4.327 1.00 0.19 N ATOM 572 CA ALA A 42 -11.700 3.197 -3.257 1.00 0.20 C ATOM 573 C ALA A 42 -13.223 3.268 -3.266 1.00 0.20 C ATOM 574 O ALA A 42 -13.807 4.315 -3.540 1.00 0.27 O ATOM 575 CB ALA A 42 -11.147 3.659 -1.925 1.00 0.26 C ATOM 0 H ALA A 42 -10.918 4.953 -4.071 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.425 2.154 -3.414 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.583 3.062 -1.124 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -10.064 3.538 -1.919 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -11.396 4.709 -1.772 1.00 0.26 H new ATOM 581 N ALA A 43 -13.851 2.132 -2.992 1.00 0.20 N ATOM 582 CA ALA A 43 -15.313 2.024 -2.960 1.00 0.29 C ATOM 583 C ALA A 43 -15.755 0.972 -1.937 1.00 0.35 C ATOM 584 O ALA A 43 -15.193 -0.118 -1.883 1.00 0.40 O ATOM 585 CB ALA A 43 -15.844 1.670 -4.341 1.00 0.38 C ATOM 0 H ALA A 43 -13.367 1.258 -2.785 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.723 2.989 -2.661 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -16.931 1.593 -4.304 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.559 2.447 -5.050 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.423 0.716 -4.659 1.00 0.38 H new ATOM 591 N ALA A 44 -16.769 1.309 -1.139 1.00 0.63 N ATOM 592 CA ALA A 44 -17.234 0.460 -0.039 1.00 0.65 C ATOM 593 C ALA A 44 -17.658 -0.929 -0.504 1.00 0.46 C ATOM 594 O ALA A 44 -18.462 -1.078 -1.429 1.00 0.79 O ATOM 595 CB ALA A 44 -18.394 1.132 0.671 1.00 1.13 C ATOM 0 H ALA A 44 -17.292 2.179 -1.236 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.393 0.331 0.642 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.737 0.498 1.488 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -18.069 2.093 1.069 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -19.210 1.289 -0.034 1.00 1.13 H new ATOM 601 N LEU A 45 -17.100 -1.936 0.158 1.00 0.47 N ATOM 602 CA LEU A 45 -17.383 -3.334 -0.140 1.00 0.66 C ATOM 603 C LEU A 45 -18.780 -3.754 0.312 1.00 0.62 C ATOM 604 O LEU A 45 -19.363 -3.169 1.228 1.00 0.88 O ATOM 605 CB LEU A 45 -16.318 -4.266 0.490 1.00 1.23 C ATOM 606 CG LEU A 45 -16.332 -4.462 2.030 1.00 2.25 C ATOM 607 CD1 LEU A 45 -16.392 -3.145 2.774 1.00 2.87 C ATOM 608 CD2 LEU A 45 -17.460 -5.378 2.484 1.00 2.93 C ATOM 0 H LEU A 45 -16.435 -1.804 0.920 1.00 0.47 H new ATOM 0 HA LEU A 45 -17.343 -3.433 -1.225 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -16.421 -5.248 0.029 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -15.336 -3.884 0.212 1.00 1.23 H new ATOM 0 HG LEU A 45 -15.387 -4.945 2.278 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -16.400 -3.334 3.848 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -15.521 -2.542 2.518 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -17.299 -2.609 2.493 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -17.428 -5.484 3.568 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -18.418 -4.949 2.189 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -17.343 -6.357 2.020 1.00 2.93 H new ATOM 620 N HIS A 46 -19.300 -4.766 -0.356 1.00 0.61 N ATOM 621 CA HIS A 46 -20.478 -5.482 0.110 1.00 0.80 C ATOM 622 C HIS A 46 -20.288 -6.973 -0.158 1.00 0.76 C ATOM 623 O HIS A 46 -20.973 -7.813 0.422 1.00 0.94 O ATOM 624 CB HIS A 46 -21.767 -4.965 -0.547 1.00 1.06 C ATOM 625 CG HIS A 46 -21.785 -5.039 -2.042 1.00 1.87 C ATOM 626 ND1 HIS A 46 -22.082 -6.190 -2.740 1.00 2.69 N ATOM 627 CD2 HIS A 46 -21.549 -4.090 -2.975 1.00 2.79 C ATOM 628 CE1 HIS A 46 -22.026 -5.943 -4.033 1.00 3.63 C ATOM 629 NE2 HIS A 46 -21.704 -4.677 -4.204 1.00 3.71 N ATOM 0 H HIS A 46 -18.921 -5.116 -1.236 1.00 0.61 H new ATOM 0 HA HIS A 46 -20.588 -5.310 1.181 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -22.610 -5.537 -0.159 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -21.920 -3.928 -0.247 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -21.287 -3.059 -2.787 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -22.213 -6.658 -4.820 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -21.589 -4.210 -5.104 1.00 3.71 H new ATOM 638 N ASN A 47 -19.338 -7.290 -1.034 1.00 0.66 N ATOM 639 CA ASN A 47 -18.909 -8.670 -1.246 1.00 0.71 C ATOM 640 C ASN A 47 -17.641 -8.950 -0.438 1.00 0.76 C ATOM 641 O ASN A 47 -17.133 -10.071 -0.430 1.00 0.88 O ATOM 642 CB ASN A 47 -18.627 -8.909 -2.732 1.00 0.74 C ATOM 643 CG ASN A 47 -18.424 -10.379 -3.080 1.00 1.42 C ATOM 644 OD1 ASN A 47 -19.389 -11.124 -3.262 1.00 2.21 O ATOM 645 ND2 ASN A 47 -17.176 -10.795 -3.223 1.00 1.94 N ATOM 0 H ASN A 47 -18.848 -6.606 -1.611 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.704 -9.339 -0.918 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -19.456 -8.515 -3.320 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -17.738 -8.349 -3.020 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -16.988 -11.761 -3.492 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -16.402 -10.150 -3.064 1.00 1.94 H new ATOM 652 N LEU A 48 -17.167 -7.921 0.269 1.00 0.77 N ATOM 653 CA LEU A 48 -15.879 -7.951 0.967 1.00 0.89 C ATOM 654 C LEU A 48 -14.717 -8.010 -0.029 1.00 0.81 C ATOM 655 O LEU A 48 -13.966 -7.047 -0.161 1.00 0.78 O ATOM 656 CB LEU A 48 -15.835 -9.111 1.965 1.00 1.15 C ATOM 657 CG LEU A 48 -16.688 -8.908 3.225 1.00 1.37 C ATOM 658 CD1 LEU A 48 -17.017 -10.243 3.878 1.00 1.71 C ATOM 659 CD2 LEU A 48 -15.961 -8.006 4.214 1.00 1.66 C ATOM 0 H LEU A 48 -17.668 -7.039 0.374 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.770 -7.026 1.533 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -16.167 -10.019 1.461 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.800 -9.274 2.266 1.00 1.15 H new ATOM 0 HG LEU A 48 -17.623 -8.431 2.930 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -17.622 -10.073 4.769 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -17.572 -10.865 3.175 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -16.093 -10.749 4.158 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -16.577 -7.870 5.103 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -15.013 -8.464 4.496 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -15.772 -7.037 3.752 1.00 1.66 H new ATOM 671 N ASP A 49 -14.597 -9.114 -0.750 1.00 0.83 N ATOM 672 CA ASP A 49 -13.639 -9.220 -1.851 1.00 0.83 C ATOM 673 C ASP A 49 -14.248 -8.540 -3.062 1.00 0.75 C ATOM 674 O ASP A 49 -14.969 -9.156 -3.848 1.00 0.83 O ATOM 675 CB ASP A 49 -13.315 -10.685 -2.169 1.00 1.00 C ATOM 676 CG ASP A 49 -12.300 -10.877 -3.291 1.00 1.20 C ATOM 677 OD1 ASP A 49 -12.542 -10.371 -4.407 1.00 1.53 O ATOM 678 OD2 ASP A 49 -11.241 -11.492 -3.060 1.00 1.87 O ATOM 0 H ASP A 49 -15.152 -9.956 -0.595 1.00 0.83 H new ATOM 0 HA ASP A 49 -12.702 -8.739 -1.570 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -12.936 -11.165 -1.267 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -14.238 -11.198 -2.439 1.00 1.00 H new ATOM 683 N GLU A 50 -14.012 -7.250 -3.160 1.00 0.66 N ATOM 684 CA GLU A 50 -14.646 -6.425 -4.167 1.00 0.72 C ATOM 685 C GLU A 50 -13.644 -5.385 -4.636 1.00 0.62 C ATOM 686 O GLU A 50 -13.638 -4.972 -5.797 1.00 0.68 O ATOM 687 CB GLU A 50 -15.879 -5.762 -3.557 1.00 0.94 C ATOM 688 CG GLU A 50 -16.909 -5.316 -4.571 1.00 1.25 C ATOM 689 CD GLU A 50 -18.174 -4.823 -3.905 1.00 1.93 C ATOM 690 OE1 GLU A 50 -18.543 -5.372 -2.840 1.00 2.66 O ATOM 691 OE2 GLU A 50 -18.811 -3.896 -4.448 1.00 2.35 O ATOM 0 H GLU A 50 -13.376 -6.743 -2.545 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.962 -7.023 -5.022 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -16.347 -6.460 -2.863 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -15.562 -4.898 -2.974 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -16.490 -4.522 -5.190 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -17.148 -6.146 -5.236 1.00 1.25 H new ATOM 698 N ALA A 51 -12.788 -4.986 -3.715 1.00 0.52 N ATOM 699 CA ALA A 51 -11.602 -4.213 -4.044 1.00 0.43 C ATOM 700 C ALA A 51 -10.489 -5.117 -4.523 1.00 0.32 C ATOM 701 O ALA A 51 -10.517 -6.328 -4.301 1.00 0.33 O ATOM 702 CB ALA A 51 -11.101 -3.468 -2.838 1.00 0.50 C ATOM 0 H ALA A 51 -12.893 -5.187 -2.720 1.00 0.52 H new ATOM 0 HA ALA A 51 -11.882 -3.512 -4.830 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.213 -2.896 -3.107 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -11.876 -2.789 -2.482 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -10.851 -4.178 -2.050 1.00 0.50 H new ATOM 708 N VAL A 52 -9.508 -4.526 -5.179 1.00 0.28 N ATOM 709 CA VAL A 52 -8.317 -5.247 -5.539 1.00 0.26 C ATOM 710 C VAL A 52 -7.493 -5.504 -4.293 1.00 0.22 C ATOM 711 O VAL A 52 -7.237 -4.614 -3.483 1.00 0.23 O ATOM 712 CB VAL A 52 -7.475 -4.526 -6.612 1.00 0.29 C ATOM 713 CG1 VAL A 52 -8.155 -4.631 -7.967 1.00 0.38 C ATOM 714 CG2 VAL A 52 -7.245 -3.069 -6.243 1.00 0.31 C ATOM 0 H VAL A 52 -9.519 -3.549 -5.470 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.626 -6.192 -5.985 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.502 -5.014 -6.666 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -7.552 -4.119 -8.717 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -8.260 -5.681 -8.241 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -9.141 -4.169 -7.916 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -6.649 -2.587 -7.018 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -8.205 -2.560 -6.155 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.716 -3.014 -5.291 1.00 0.31 H new ATOM 724 N LYS A 53 -7.124 -6.747 -4.151 1.00 0.22 N ATOM 725 CA LYS A 53 -6.481 -7.243 -2.948 1.00 0.22 C ATOM 726 C LYS A 53 -4.986 -7.242 -3.085 1.00 0.18 C ATOM 727 O LYS A 53 -4.426 -7.653 -4.102 1.00 0.24 O ATOM 728 CB LYS A 53 -7.007 -8.629 -2.584 1.00 0.35 C ATOM 729 CG LYS A 53 -7.151 -9.590 -3.746 1.00 0.78 C ATOM 730 CD LYS A 53 -7.967 -10.794 -3.320 1.00 1.12 C ATOM 731 CE LYS A 53 -8.272 -11.713 -4.478 1.00 1.37 C ATOM 732 NZ LYS A 53 -9.152 -12.825 -4.054 1.00 1.59 N ATOM 0 H LYS A 53 -7.259 -7.458 -4.870 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.730 -6.565 -2.131 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.337 -9.072 -1.848 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -7.979 -8.517 -2.104 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -7.635 -9.090 -4.585 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -6.167 -9.909 -4.089 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -7.424 -11.346 -2.553 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -8.901 -10.457 -2.869 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -8.752 -11.149 -5.278 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -7.343 -12.114 -4.884 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -9.130 -13.578 -4.771 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -8.819 -13.204 -3.144 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -10.126 -12.476 -3.948 1.00 1.59 H new ATOM 746 N PHE A 54 -4.355 -6.740 -2.044 1.00 0.18 N ATOM 747 CA PHE A 54 -2.957 -6.472 -2.048 1.00 0.19 C ATOM 748 C PHE A 54 -2.201 -7.591 -1.371 1.00 0.20 C ATOM 749 O PHE A 54 -2.775 -8.466 -0.723 1.00 0.23 O ATOM 750 CB PHE A 54 -2.667 -5.152 -1.318 1.00 0.25 C ATOM 751 CG PHE A 54 -3.190 -3.926 -2.015 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.538 -3.605 -1.955 1.00 1.57 C ATOM 753 CD2 PHE A 54 -2.344 -3.100 -2.736 1.00 1.95 C ATOM 754 CE1 PHE A 54 -5.029 -2.488 -2.602 1.00 2.60 C ATOM 755 CE2 PHE A 54 -2.830 -1.979 -3.384 1.00 2.98 C ATOM 756 CZ PHE A 54 -4.142 -1.643 -3.288 1.00 3.31 C ATOM 0 H PHE A 54 -4.818 -6.508 -1.165 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.629 -6.394 -3.085 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -3.102 -5.200 -0.320 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -1.589 -5.051 -1.191 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.212 -4.236 -1.395 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -1.291 -3.334 -2.793 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -6.086 -2.266 -2.580 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -2.161 -1.367 -3.971 1.00 2.98 H new ATOM 0 HZ PHE A 54 -4.502 -0.729 -3.738 1.00 3.31 H new ATOM 766 N ASP A 55 -0.910 -7.535 -1.553 1.00 0.21 N ATOM 767 CA ASP A 55 0.015 -8.486 -0.975 1.00 0.22 C ATOM 768 C ASP A 55 1.226 -7.739 -0.465 1.00 0.23 C ATOM 769 O ASP A 55 1.775 -6.871 -1.148 1.00 0.27 O ATOM 770 CB ASP A 55 0.436 -9.524 -2.023 1.00 0.24 C ATOM 771 CG ASP A 55 1.757 -10.208 -1.697 1.00 1.33 C ATOM 772 OD1 ASP A 55 1.757 -11.113 -0.835 1.00 1.89 O ATOM 773 OD2 ASP A 55 2.790 -9.831 -2.274 1.00 1.93 O ATOM 0 H ASP A 55 -0.458 -6.816 -2.117 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.468 -9.011 -0.151 1.00 0.22 H new ATOM 0 HB2 ASP A 55 -0.345 -10.280 -2.110 1.00 0.24 H new ATOM 0 HB3 ASP A 55 0.517 -9.037 -2.995 1.00 0.24 H new ATOM 778 N MET A 56 1.584 -8.055 0.764 1.00 0.24 N ATOM 779 CA MET A 56 2.658 -7.403 1.465 1.00 0.25 C ATOM 780 C MET A 56 3.841 -8.332 1.574 1.00 0.25 C ATOM 781 O MET A 56 3.696 -9.512 1.879 1.00 0.30 O ATOM 782 CB MET A 56 2.200 -7.004 2.865 1.00 0.33 C ATOM 783 CG MET A 56 1.036 -6.032 2.882 1.00 0.97 C ATOM 784 SD MET A 56 0.401 -5.766 4.546 1.00 1.19 S ATOM 785 CE MET A 56 1.907 -5.317 5.398 1.00 1.85 C ATOM 0 H MET A 56 1.125 -8.786 1.308 1.00 0.24 H new ATOM 0 HA MET A 56 2.948 -6.511 0.910 1.00 0.25 H new ATOM 0 HB2 MET A 56 1.917 -7.903 3.413 1.00 0.33 H new ATOM 0 HB3 MET A 56 3.040 -6.558 3.397 1.00 0.33 H new ATOM 0 HG2 MET A 56 1.354 -5.079 2.459 1.00 0.97 H new ATOM 0 HG3 MET A 56 0.237 -6.413 2.246 1.00 0.97 H new ATOM 0 HE1 MET A 56 1.935 -5.808 6.371 1.00 1.85 H new ATOM 0 HE2 MET A 56 2.767 -5.633 4.808 1.00 1.85 H new ATOM 0 HE3 MET A 56 1.939 -4.236 5.536 1.00 1.85 H new ATOM 795 N GLY A 57 5.009 -7.800 1.328 1.00 0.26 N ATOM 796 CA GLY A 57 6.207 -8.545 1.525 1.00 0.32 C ATOM 797 C GLY A 57 7.231 -7.646 2.151 1.00 0.31 C ATOM 798 O GLY A 57 7.435 -6.543 1.668 1.00 0.35 O ATOM 0 H GLY A 57 5.148 -6.848 0.989 1.00 0.26 H new ATOM 0 HA2 GLY A 57 6.016 -9.406 2.166 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.573 -8.931 0.574 1.00 0.32 H new ATOM 802 N ALA A 58 7.854 -8.063 3.220 1.00 0.37 N ATOM 803 CA ALA A 58 8.745 -7.173 3.933 1.00 0.38 C ATOM 804 C ALA A 58 10.127 -7.206 3.312 1.00 0.42 C ATOM 805 O ALA A 58 10.526 -8.199 2.707 1.00 0.61 O ATOM 806 CB ALA A 58 8.812 -7.551 5.406 1.00 0.51 C ATOM 0 H ALA A 58 7.767 -8.999 3.616 1.00 0.37 H new ATOM 0 HA ALA A 58 8.355 -6.158 3.858 1.00 0.38 H new ATOM 0 HB1 ALA A 58 9.487 -6.871 5.926 1.00 0.51 H new ATOM 0 HB2 ALA A 58 7.817 -7.481 5.845 1.00 0.51 H new ATOM 0 HB3 ALA A 58 9.181 -8.572 5.503 1.00 0.51 H new ATOM 812 N TYR A 59 10.836 -6.103 3.400 1.00 0.45 N ATOM 813 CA TYR A 59 12.245 -6.130 3.012 1.00 0.61 C ATOM 814 C TYR A 59 13.106 -5.721 4.188 1.00 0.72 C ATOM 815 O TYR A 59 12.601 -5.189 5.176 1.00 0.81 O ATOM 816 CB TYR A 59 12.549 -5.290 1.747 1.00 0.93 C ATOM 817 CG TYR A 59 12.693 -3.778 1.911 1.00 1.64 C ATOM 818 CD1 TYR A 59 13.416 -3.267 2.974 1.00 2.54 C ATOM 819 CD2 TYR A 59 12.068 -2.870 1.059 1.00 2.01 C ATOM 820 CE1 TYR A 59 13.524 -1.907 3.173 1.00 3.70 C ATOM 821 CE2 TYR A 59 12.168 -1.511 1.255 1.00 3.08 C ATOM 822 CZ TYR A 59 13.010 -1.022 2.110 1.00 3.92 C ATOM 823 OH TYR A 59 12.993 0.323 2.514 1.00 5.11 O ATOM 0 H TYR A 59 10.485 -5.202 3.724 1.00 0.45 H new ATOM 0 HA TYR A 59 12.490 -7.155 2.734 1.00 0.61 H new ATOM 0 HB2 TYR A 59 13.472 -5.668 1.308 1.00 0.93 H new ATOM 0 HB3 TYR A 59 11.754 -5.474 1.024 1.00 0.93 H new ATOM 0 HD1 TYR A 59 13.904 -3.944 3.659 1.00 2.54 H new ATOM 0 HD2 TYR A 59 11.491 -3.241 0.225 1.00 2.01 H new ATOM 0 HE1 TYR A 59 13.968 -1.505 4.072 1.00 3.70 H new ATOM 0 HE2 TYR A 59 11.536 -0.843 0.688 1.00 3.08 H new ATOM 0 HH TYR A 59 12.508 0.404 3.362 1.00 5.11 H new ATOM 833 N LYS A 60 14.398 -5.984 4.096 1.00 0.92 N ATOM 834 CA LYS A 60 15.252 -5.863 5.252 1.00 1.13 C ATOM 835 C LYS A 60 16.489 -5.042 4.957 1.00 1.50 C ATOM 836 O LYS A 60 17.302 -5.381 4.094 1.00 1.77 O ATOM 837 CB LYS A 60 15.706 -7.258 5.672 1.00 1.30 C ATOM 838 CG LYS A 60 16.413 -7.287 7.017 1.00 1.66 C ATOM 839 CD LYS A 60 17.139 -8.602 7.237 1.00 2.14 C ATOM 840 CE LYS A 60 17.827 -8.633 8.591 1.00 2.79 C ATOM 841 NZ LYS A 60 18.644 -9.859 8.775 1.00 3.47 N ATOM 0 H LYS A 60 14.869 -6.279 3.241 1.00 0.92 H new ATOM 0 HA LYS A 60 14.683 -5.367 6.038 1.00 1.13 H new ATOM 0 HB2 LYS A 60 14.839 -7.917 5.712 1.00 1.30 H new ATOM 0 HB3 LYS A 60 16.375 -7.658 4.910 1.00 1.30 H new ATOM 0 HG2 LYS A 60 17.125 -6.464 7.072 1.00 1.66 H new ATOM 0 HG3 LYS A 60 15.686 -7.134 7.815 1.00 1.66 H new ATOM 0 HD2 LYS A 60 16.430 -9.427 7.168 1.00 2.14 H new ATOM 0 HD3 LYS A 60 17.877 -8.749 6.448 1.00 2.14 H new ATOM 0 HE2 LYS A 60 18.464 -7.755 8.693 1.00 2.79 H new ATOM 0 HE3 LYS A 60 17.077 -8.576 9.380 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 19.095 -9.838 9.712 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 18.033 -10.697 8.703 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 19.377 -9.901 8.039 1.00 3.47 H new ATOM 855 N SER A 61 16.593 -3.944 5.665 1.00 1.67 N ATOM 856 CA SER A 61 17.833 -3.231 5.854 1.00 2.15 C ATOM 857 C SER A 61 17.777 -2.643 7.249 1.00 2.02 C ATOM 858 O SER A 61 16.687 -2.451 7.771 1.00 1.72 O ATOM 859 CB SER A 61 17.978 -2.125 4.808 1.00 2.67 C ATOM 860 OG SER A 61 17.825 -2.646 3.500 1.00 3.06 O ATOM 0 H SER A 61 15.799 -3.511 6.137 1.00 1.67 H new ATOM 0 HA SER A 61 18.692 -3.892 5.741 1.00 2.15 H new ATOM 0 HB2 SER A 61 17.232 -1.351 4.985 1.00 2.67 H new ATOM 0 HB3 SER A 61 18.956 -1.653 4.904 1.00 2.67 H new ATOM 0 HG SER A 61 18.700 -2.692 3.062 1.00 3.06 H new ATOM 866 N SER A 62 18.895 -2.360 7.884 1.00 2.37 N ATOM 867 CA SER A 62 18.819 -1.531 9.073 1.00 2.25 C ATOM 868 C SER A 62 19.025 -0.071 8.679 1.00 2.37 C ATOM 869 O SER A 62 19.726 0.687 9.350 1.00 2.59 O ATOM 870 CB SER A 62 19.859 -1.986 10.097 1.00 2.65 C ATOM 871 OG SER A 62 19.673 -3.357 10.422 1.00 2.99 O ATOM 0 H SER A 62 19.828 -2.673 7.616 1.00 2.37 H new ATOM 0 HA SER A 62 17.837 -1.630 9.534 1.00 2.25 H new ATOM 0 HB2 SER A 62 20.862 -1.834 9.697 1.00 2.65 H new ATOM 0 HB3 SER A 62 19.780 -1.379 10.999 1.00 2.65 H new ATOM 0 HG SER A 62 20.348 -3.632 11.077 1.00 2.99 H new ATOM 877 N LYS A 63 18.399 0.311 7.568 1.00 2.37 N ATOM 878 CA LYS A 63 18.411 1.685 7.104 1.00 2.64 C ATOM 879 C LYS A 63 16.994 2.209 6.890 1.00 2.48 C ATOM 880 O LYS A 63 16.763 2.998 5.969 1.00 2.87 O ATOM 881 CB LYS A 63 19.223 1.824 5.811 1.00 3.20 C ATOM 882 CG LYS A 63 20.740 1.767 5.999 1.00 3.62 C ATOM 883 CD LYS A 63 21.251 0.346 6.191 1.00 4.18 C ATOM 884 CE LYS A 63 22.772 0.302 6.228 1.00 4.77 C ATOM 885 NZ LYS A 63 23.282 -1.087 6.376 1.00 5.27 N ATOM 0 H LYS A 63 17.872 -0.326 6.970 1.00 2.37 H new ATOM 0 HA LYS A 63 18.887 2.285 7.880 1.00 2.64 H new ATOM 0 HB2 LYS A 63 18.926 1.031 5.124 1.00 3.20 H new ATOM 0 HB3 LYS A 63 18.965 2.770 5.336 1.00 3.20 H new ATOM 0 HG2 LYS A 63 21.227 2.211 5.131 1.00 3.62 H new ATOM 0 HG3 LYS A 63 21.019 2.370 6.863 1.00 3.62 H new ATOM 0 HD2 LYS A 63 20.851 -0.064 7.119 1.00 4.18 H new ATOM 0 HD3 LYS A 63 20.887 -0.286 5.381 1.00 4.18 H new ATOM 0 HE2 LYS A 63 23.170 0.740 5.313 1.00 4.77 H new ATOM 0 HE3 LYS A 63 23.133 0.912 7.056 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 24.322 -1.075 6.397 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 22.923 -1.496 7.262 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 22.959 -1.663 5.573 1.00 5.27 H new ATOM 899 N ASP A 64 16.042 1.762 7.700 1.00 2.02 N ATOM 900 CA ASP A 64 14.678 2.275 7.594 1.00 2.02 C ATOM 901 C ASP A 64 14.620 3.652 8.255 1.00 2.36 C ATOM 902 O ASP A 64 15.360 4.561 7.874 1.00 2.81 O ATOM 903 CB ASP A 64 13.690 1.323 8.280 1.00 1.53 C ATOM 904 CG ASP A 64 13.632 -0.057 7.644 1.00 1.63 C ATOM 905 OD1 ASP A 64 12.860 -0.250 6.679 1.00 1.88 O ATOM 906 OD2 ASP A 64 14.349 -0.958 8.126 1.00 1.89 O ATOM 0 H ASP A 64 16.182 1.059 8.425 1.00 2.02 H new ATOM 0 HA ASP A 64 14.400 2.353 6.543 1.00 2.02 H new ATOM 0 HB2 ASP A 64 13.968 1.219 9.329 1.00 1.53 H new ATOM 0 HB3 ASP A 64 12.695 1.767 8.256 1.00 1.53 H new ATOM 911 N ASP A 65 13.748 3.822 9.236 1.00 2.27 N ATOM 912 CA ASP A 65 13.891 4.935 10.162 1.00 2.65 C ATOM 913 C ASP A 65 13.934 4.403 11.589 1.00 2.35 C ATOM 914 O ASP A 65 15.006 4.206 12.161 1.00 2.28 O ATOM 915 CB ASP A 65 12.751 5.940 9.989 1.00 3.22 C ATOM 916 CG ASP A 65 12.914 7.151 10.881 1.00 3.59 C ATOM 917 OD1 ASP A 65 13.801 7.984 10.605 1.00 4.06 O ATOM 918 OD2 ASP A 65 12.159 7.272 11.862 1.00 3.75 O ATOM 0 H ASP A 65 12.947 3.215 9.411 1.00 2.27 H new ATOM 0 HA ASP A 65 14.823 5.458 9.948 1.00 2.65 H new ATOM 0 HB2 ASP A 65 12.707 6.261 8.948 1.00 3.22 H new ATOM 0 HB3 ASP A 65 11.802 5.452 10.212 1.00 3.22 H new ATOM 923 N ALA A 66 12.757 4.151 12.145 1.00 2.40 N ATOM 924 CA ALA A 66 12.614 3.343 13.349 1.00 2.34 C ATOM 925 C ALA A 66 11.533 2.298 13.113 1.00 2.24 C ATOM 926 O ALA A 66 11.004 1.694 14.050 1.00 2.63 O ATOM 927 CB ALA A 66 12.268 4.224 14.541 1.00 2.98 C ATOM 0 H ALA A 66 11.874 4.501 11.774 1.00 2.40 H new ATOM 0 HA ALA A 66 13.556 2.842 13.571 1.00 2.34 H new ATOM 0 HB1 ALA A 66 12.165 3.606 15.433 1.00 2.98 H new ATOM 0 HB2 ALA A 66 13.062 4.954 14.696 1.00 2.98 H new ATOM 0 HB3 ALA A 66 11.329 4.744 14.349 1.00 2.98 H new ATOM 933 N LYS A 67 11.221 2.094 11.842 1.00 1.96 N ATOM 934 CA LYS A 67 10.037 1.356 11.433 1.00 1.89 C ATOM 935 C LYS A 67 10.260 0.762 10.043 1.00 1.44 C ATOM 936 O LYS A 67 10.974 1.338 9.234 1.00 1.95 O ATOM 937 CB LYS A 67 8.795 2.246 11.501 1.00 2.82 C ATOM 938 CG LYS A 67 7.487 1.469 11.565 1.00 3.45 C ATOM 939 CD LYS A 67 6.329 2.347 12.025 1.00 4.32 C ATOM 940 CE LYS A 67 6.595 2.951 13.397 1.00 5.01 C ATOM 941 NZ LYS A 67 5.384 3.594 13.972 1.00 5.31 N ATOM 0 H LYS A 67 11.784 2.437 11.064 1.00 1.96 H new ATOM 0 HA LYS A 67 9.862 0.529 12.122 1.00 1.89 H new ATOM 0 HB2 LYS A 67 8.868 2.890 12.378 1.00 2.82 H new ATOM 0 HB3 LYS A 67 8.778 2.898 10.627 1.00 2.82 H new ATOM 0 HG2 LYS A 67 7.261 1.055 10.582 1.00 3.45 H new ATOM 0 HG3 LYS A 67 7.598 0.626 12.248 1.00 3.45 H new ATOM 0 HD2 LYS A 67 6.167 3.145 11.301 1.00 4.32 H new ATOM 0 HD3 LYS A 67 5.414 1.756 12.058 1.00 4.32 H new ATOM 0 HE2 LYS A 67 6.946 2.172 14.073 1.00 5.01 H new ATOM 0 HE3 LYS A 67 7.394 3.689 13.319 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 5.650 4.149 14.810 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 4.955 4.222 13.263 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 4.698 2.861 14.245 1.00 5.31 H new ATOM 955 N ILE A 68 9.616 -0.360 9.785 1.00 0.88 N ATOM 956 CA ILE A 68 10.069 -1.359 8.834 1.00 0.76 C ATOM 957 C ILE A 68 9.259 -1.301 7.575 1.00 0.43 C ATOM 958 O ILE A 68 8.124 -0.824 7.580 1.00 0.37 O ATOM 959 CB ILE A 68 10.033 -2.793 9.418 1.00 0.97 C ATOM 960 CG1 ILE A 68 8.724 -3.070 10.178 1.00 1.07 C ATOM 961 CG2 ILE A 68 11.229 -3.018 10.328 1.00 1.51 C ATOM 962 CD1 ILE A 68 7.542 -3.415 9.295 1.00 1.66 C ATOM 0 H ILE A 68 8.739 -0.609 10.243 1.00 0.88 H new ATOM 0 HA ILE A 68 11.108 -1.123 8.606 1.00 0.76 H new ATOM 0 HB ILE A 68 10.080 -3.491 8.582 1.00 0.97 H new ATOM 0 HG12 ILE A 68 8.891 -3.891 10.876 1.00 1.07 H new ATOM 0 HG13 ILE A 68 8.472 -2.192 10.773 1.00 1.07 H new ATOM 0 HG21 ILE A 68 11.193 -4.029 10.733 1.00 1.51 H new ATOM 0 HG22 ILE A 68 12.149 -2.888 9.758 1.00 1.51 H new ATOM 0 HG23 ILE A 68 11.204 -2.299 11.146 1.00 1.51 H new ATOM 0 HD11 ILE A 68 6.664 -3.594 9.916 1.00 1.66 H new ATOM 0 HD12 ILE A 68 7.342 -2.587 8.614 1.00 1.66 H new ATOM 0 HD13 ILE A 68 7.768 -4.312 8.719 1.00 1.66 H new ATOM 974 N THR A 69 9.840 -1.778 6.502 1.00 0.47 N ATOM 975 CA THR A 69 9.273 -1.574 5.205 1.00 0.38 C ATOM 976 C THR A 69 8.648 -2.849 4.668 1.00 0.34 C ATOM 977 O THR A 69 9.216 -3.941 4.759 1.00 0.46 O ATOM 978 CB THR A 69 10.347 -1.106 4.226 1.00 0.55 C ATOM 979 OG1 THR A 69 11.024 0.035 4.756 1.00 1.50 O ATOM 980 CG2 THR A 69 9.726 -0.760 2.888 1.00 1.23 C ATOM 0 H THR A 69 10.709 -2.312 6.508 1.00 0.47 H new ATOM 0 HA THR A 69 8.499 -0.813 5.304 1.00 0.38 H new ATOM 0 HB THR A 69 11.064 -1.914 4.081 1.00 0.55 H new ATOM 0 HG1 THR A 69 11.572 -0.236 5.522 1.00 1.50 H new ATOM 0 HG21 THR A 69 10.504 -0.428 2.201 1.00 1.23 H new ATOM 0 HG22 THR A 69 9.231 -1.640 2.478 1.00 1.23 H new ATOM 0 HG23 THR A 69 8.995 0.038 3.021 1.00 1.23 H new ATOM 988 N VAL A 70 7.470 -2.682 4.107 1.00 0.27 N ATOM 989 CA VAL A 70 6.732 -3.761 3.498 1.00 0.28 C ATOM 990 C VAL A 70 6.398 -3.337 2.081 1.00 0.26 C ATOM 991 O VAL A 70 6.484 -2.147 1.760 1.00 0.29 O ATOM 992 CB VAL A 70 5.431 -4.085 4.272 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.743 -4.530 5.693 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.489 -2.893 4.287 1.00 1.06 C ATOM 0 H VAL A 70 6.994 -1.781 4.062 1.00 0.27 H new ATOM 0 HA VAL A 70 7.339 -4.666 3.512 1.00 0.28 H new ATOM 0 HB VAL A 70 4.934 -4.905 3.753 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.813 -4.752 6.217 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.367 -5.424 5.666 1.00 0.98 H new ATOM 0 HG13 VAL A 70 6.273 -3.734 6.216 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.584 -3.151 4.838 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.979 -2.048 4.770 1.00 1.06 H new ATOM 0 HG23 VAL A 70 4.227 -2.624 3.264 1.00 1.06 H new ATOM 1004 N ILE A 71 6.047 -4.297 1.247 1.00 0.25 N ATOM 1005 CA ILE A 71 5.745 -4.040 -0.151 1.00 0.28 C ATOM 1006 C ILE A 71 4.241 -4.141 -0.368 1.00 0.28 C ATOM 1007 O ILE A 71 3.632 -5.124 0.033 1.00 0.33 O ATOM 1008 CB ILE A 71 6.489 -5.069 -1.051 1.00 0.39 C ATOM 1009 CG1 ILE A 71 7.923 -4.605 -1.361 1.00 1.29 C ATOM 1010 CG2 ILE A 71 5.727 -5.350 -2.340 1.00 1.34 C ATOM 1011 CD1 ILE A 71 8.823 -4.481 -0.152 1.00 2.12 C ATOM 0 H ILE A 71 5.963 -5.277 1.518 1.00 0.25 H new ATOM 0 HA ILE A 71 6.079 -3.038 -0.418 1.00 0.28 H new ATOM 0 HB ILE A 71 6.544 -6.001 -0.489 1.00 0.39 H new ATOM 0 HG12 ILE A 71 8.374 -5.307 -2.062 1.00 1.29 H new ATOM 0 HG13 ILE A 71 7.877 -3.639 -1.863 1.00 1.29 H new ATOM 0 HG21 ILE A 71 6.280 -6.073 -2.939 1.00 1.34 H new ATOM 0 HG22 ILE A 71 4.743 -5.754 -2.100 1.00 1.34 H new ATOM 0 HG23 ILE A 71 5.611 -4.424 -2.904 1.00 1.34 H new ATOM 0 HD11 ILE A 71 9.812 -4.149 -0.467 1.00 2.12 H new ATOM 0 HD12 ILE A 71 8.401 -3.755 0.543 1.00 2.12 H new ATOM 0 HD13 ILE A 71 8.906 -5.450 0.341 1.00 2.12 H new ATOM 1023 N LEU A 72 3.634 -3.114 -0.953 1.00 0.28 N ATOM 1024 CA LEU A 72 2.201 -3.165 -1.245 1.00 0.29 C ATOM 1025 C LEU A 72 1.940 -3.319 -2.748 1.00 0.27 C ATOM 1026 O LEU A 72 2.259 -2.435 -3.538 1.00 0.30 O ATOM 1027 CB LEU A 72 1.503 -1.912 -0.709 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.003 -2.047 -0.476 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.282 -3.063 0.623 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -0.611 -0.696 -0.124 1.00 0.88 C ATOM 0 H LEU A 72 4.099 -2.250 -1.231 1.00 0.28 H new ATOM 0 HA LEU A 72 1.790 -4.041 -0.744 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.975 -1.629 0.232 1.00 0.33 H new ATOM 0 HB3 LEU A 72 1.673 -1.095 -1.410 1.00 0.33 H new ATOM 0 HG LEU A 72 -0.465 -2.401 -1.397 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -1.358 -3.147 0.776 1.00 0.79 H new ATOM 0 HD12 LEU A 72 0.120 -4.033 0.332 1.00 0.79 H new ATOM 0 HD13 LEU A 72 0.192 -2.737 1.549 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -1.683 -0.811 0.038 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.145 -0.313 0.784 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -0.441 0.004 -0.942 1.00 0.88 H new ATOM 1042 N ARG A 73 1.347 -4.439 -3.133 1.00 0.24 N ATOM 1043 CA ARG A 73 0.985 -4.690 -4.529 1.00 0.24 C ATOM 1044 C ARG A 73 -0.405 -5.287 -4.602 1.00 0.21 C ATOM 1045 O ARG A 73 -0.824 -5.926 -3.661 1.00 0.24 O ATOM 1046 CB ARG A 73 1.937 -5.696 -5.147 1.00 0.28 C ATOM 1047 CG ARG A 73 1.825 -7.073 -4.512 1.00 0.43 C ATOM 1048 CD ARG A 73 2.205 -8.161 -5.500 1.00 0.58 C ATOM 1049 NE ARG A 73 2.520 -9.418 -4.835 1.00 0.91 N ATOM 1050 CZ ARG A 73 2.827 -10.546 -5.464 1.00 1.04 C ATOM 1051 NH1 ARG A 73 2.791 -10.611 -6.793 1.00 1.27 N ATOM 1052 NH2 ARG A 73 3.153 -11.616 -4.755 1.00 1.67 N ATOM 0 H ARG A 73 1.103 -5.197 -2.496 1.00 0.24 H new ATOM 0 HA ARG A 73 1.031 -3.741 -5.063 1.00 0.24 H new ATOM 0 HB2 ARG A 73 1.734 -5.775 -6.215 1.00 0.28 H new ATOM 0 HB3 ARG A 73 2.960 -5.334 -5.043 1.00 0.28 H new ATOM 0 HG2 ARG A 73 2.474 -7.128 -3.638 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.805 -7.234 -4.163 1.00 0.43 H new ATOM 0 HD2 ARG A 73 1.384 -8.317 -6.200 1.00 0.58 H new ATOM 0 HD3 ARG A 73 3.065 -7.835 -6.085 1.00 0.58 H new ATOM 0 HE ARG A 73 2.504 -9.433 -3.815 1.00 0.91 H new ATOM 0 HH11 ARG A 73 2.526 -9.790 -7.337 1.00 1.27 H new ATOM 0 HH12 ARG A 73 3.029 -11.482 -7.268 1.00 1.27 H new ATOM 0 HH21 ARG A 73 3.166 -11.568 -3.736 1.00 1.67 H new ATOM 0 HH22 ARG A 73 3.391 -12.488 -5.228 1.00 1.67 H new ATOM 1066 N ILE A 74 -1.116 -5.105 -5.700 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.330 -5.862 -5.906 1.00 0.24 C ATOM 1068 C ILE A 74 -1.982 -7.214 -6.521 1.00 0.27 C ATOM 1069 O ILE A 74 -1.239 -7.293 -7.488 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.352 -5.115 -6.777 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -2.761 -4.742 -8.140 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -3.845 -3.873 -6.056 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -3.715 -3.963 -9.019 1.00 1.81 C ATOM 0 H ILE A 74 -0.878 -4.453 -6.447 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.803 -6.007 -4.935 1.00 0.24 H new ATOM 0 HB ILE A 74 -4.195 -5.783 -6.953 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -1.857 -4.152 -7.986 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -2.463 -5.653 -8.659 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -4.569 -3.352 -6.683 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -4.319 -4.161 -5.117 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -3.002 -3.213 -5.850 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -3.230 -3.733 -9.968 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -4.609 -4.559 -9.203 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -3.994 -3.035 -8.520 1.00 1.81 H new ATOM 1085 N SER A 75 -2.466 -8.273 -5.893 1.00 0.30 N ATOM 1086 CA SER A 75 -2.202 -9.648 -6.320 1.00 0.38 C ATOM 1087 C SER A 75 -2.477 -9.888 -7.814 1.00 0.44 C ATOM 1088 O SER A 75 -1.901 -10.797 -8.409 1.00 0.50 O ATOM 1089 CB SER A 75 -3.037 -10.608 -5.474 1.00 0.47 C ATOM 1090 OG SER A 75 -2.780 -10.414 -4.093 1.00 1.16 O ATOM 0 H SER A 75 -3.059 -8.208 -5.065 1.00 0.30 H new ATOM 0 HA SER A 75 -1.138 -9.830 -6.172 1.00 0.38 H new ATOM 0 HB2 SER A 75 -4.096 -10.452 -5.677 1.00 0.47 H new ATOM 0 HB3 SER A 75 -2.808 -11.637 -5.750 1.00 0.47 H new ATOM 0 HG SER A 75 -3.620 -10.478 -3.592 1.00 1.16 H new ATOM 1096 N LYS A 76 -3.348 -9.075 -8.410 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.853 -9.347 -9.755 1.00 0.54 C ATOM 1098 C LYS A 76 -2.888 -8.908 -10.863 1.00 0.55 C ATOM 1099 O LYS A 76 -2.467 -9.719 -11.687 1.00 0.61 O ATOM 1100 CB LYS A 76 -5.176 -8.605 -9.923 1.00 0.60 C ATOM 1101 CG LYS A 76 -6.318 -9.209 -9.119 1.00 1.21 C ATOM 1102 CD LYS A 76 -7.653 -8.572 -9.470 1.00 1.70 C ATOM 1103 CE LYS A 76 -8.805 -9.281 -8.774 1.00 2.16 C ATOM 1104 NZ LYS A 76 -10.130 -8.831 -9.276 1.00 2.51 N ATOM 0 H LYS A 76 -3.718 -8.225 -7.984 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.974 -10.426 -9.853 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -5.041 -7.566 -9.623 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -5.449 -8.599 -10.978 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -6.367 -10.282 -9.306 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -6.122 -9.079 -8.055 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -7.643 -7.521 -9.182 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -7.802 -8.606 -10.549 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -8.709 -10.357 -8.922 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -8.745 -9.100 -7.701 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -10.884 -9.341 -8.773 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -10.235 -7.809 -9.112 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -10.200 -9.027 -10.295 1.00 2.51 H new ATOM 1118 N THR A 77 -2.542 -7.636 -10.879 1.00 0.51 N ATOM 1119 CA THR A 77 -1.546 -7.112 -11.806 1.00 0.53 C ATOM 1120 C THR A 77 -0.333 -6.664 -11.018 1.00 0.47 C ATOM 1121 O THR A 77 -0.389 -6.620 -9.796 1.00 0.46 O ATOM 1122 CB THR A 77 -2.111 -5.948 -12.642 1.00 0.62 C ATOM 1123 OG1 THR A 77 -2.867 -5.063 -11.808 1.00 1.45 O ATOM 1124 CG2 THR A 77 -2.989 -6.465 -13.769 1.00 1.29 C ATOM 0 H THR A 77 -2.939 -6.935 -10.254 1.00 0.51 H new ATOM 0 HA THR A 77 -1.263 -7.900 -12.504 1.00 0.53 H new ATOM 0 HB THR A 77 -1.272 -5.405 -13.077 1.00 0.62 H new ATOM 0 HG1 THR A 77 -3.350 -4.419 -12.367 1.00 1.45 H new ATOM 0 HG21 THR A 77 -3.376 -5.624 -14.344 1.00 1.29 H new ATOM 0 HG22 THR A 77 -2.401 -7.111 -14.421 1.00 1.29 H new ATOM 0 HG23 THR A 77 -3.821 -7.032 -13.351 1.00 1.29 H new ATOM 1132 N GLN A 78 0.762 -6.312 -11.664 1.00 0.50 N ATOM 1133 CA GLN A 78 1.907 -5.895 -10.885 1.00 0.49 C ATOM 1134 C GLN A 78 1.977 -4.378 -10.884 1.00 0.46 C ATOM 1135 O GLN A 78 2.898 -3.755 -11.428 1.00 0.48 O ATOM 1136 CB GLN A 78 3.180 -6.512 -11.467 1.00 0.59 C ATOM 1137 CG GLN A 78 3.049 -8.006 -11.728 1.00 1.49 C ATOM 1138 CD GLN A 78 4.281 -8.603 -12.370 1.00 2.14 C ATOM 1139 OE1 GLN A 78 4.421 -8.590 -13.591 1.00 2.69 O ATOM 1140 NE2 GLN A 78 5.164 -9.164 -11.563 1.00 2.90 N ATOM 0 H GLN A 78 0.881 -6.305 -12.677 1.00 0.50 H new ATOM 0 HA GLN A 78 1.810 -6.239 -9.855 1.00 0.49 H new ATOM 0 HB2 GLN A 78 3.429 -6.006 -12.400 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.008 -6.340 -10.780 1.00 0.59 H new ATOM 0 HG2 GLN A 78 2.852 -8.518 -10.786 1.00 1.49 H new ATOM 0 HG3 GLN A 78 2.188 -8.183 -12.373 1.00 1.49 H new ATOM 0 HE21 GLN A 78 5.012 -9.154 -10.554 1.00 2.90 H new ATOM 0 HE22 GLN A 78 5.998 -9.607 -11.949 1.00 2.90 H new ATOM 1149 N LEU A 79 0.999 -3.814 -10.185 1.00 0.46 N ATOM 1150 CA LEU A 79 0.931 -2.397 -9.896 1.00 0.45 C ATOM 1151 C LEU A 79 1.424 -2.175 -8.486 1.00 0.42 C ATOM 1152 O LEU A 79 0.782 -2.610 -7.526 1.00 0.54 O ATOM 1153 CB LEU A 79 -0.506 -1.876 -10.042 1.00 0.59 C ATOM 1154 CG LEU A 79 -0.942 -1.476 -11.460 1.00 0.95 C ATOM 1155 CD1 LEU A 79 -0.713 -2.607 -12.449 1.00 1.95 C ATOM 1156 CD2 LEU A 79 -2.407 -1.071 -11.458 1.00 1.61 C ATOM 0 H LEU A 79 0.218 -4.344 -9.798 1.00 0.46 H new ATOM 0 HA LEU A 79 1.554 -1.851 -10.604 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -1.188 -2.645 -9.678 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.624 -1.010 -9.390 1.00 0.59 H new ATOM 0 HG LEU A 79 -0.334 -0.628 -11.774 1.00 0.95 H new ATOM 0 HD11 LEU A 79 -1.032 -2.292 -13.443 1.00 1.95 H new ATOM 0 HD12 LEU A 79 0.347 -2.862 -12.472 1.00 1.95 H new ATOM 0 HD13 LEU A 79 -1.289 -3.480 -12.143 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -2.708 -0.789 -12.467 1.00 1.61 H new ATOM 0 HD22 LEU A 79 -3.016 -1.909 -11.119 1.00 1.61 H new ATOM 0 HD23 LEU A 79 -2.549 -0.224 -10.787 1.00 1.61 H new ATOM 1168 N TYR A 80 2.560 -1.537 -8.350 1.00 0.34 N ATOM 1169 CA TYR A 80 3.140 -1.338 -7.047 1.00 0.38 C ATOM 1170 C TYR A 80 3.003 0.122 -6.676 1.00 0.34 C ATOM 1171 O TYR A 80 2.987 0.990 -7.541 1.00 0.45 O ATOM 1172 CB TYR A 80 4.589 -1.838 -7.032 1.00 0.60 C ATOM 1173 CG TYR A 80 4.688 -3.359 -7.113 1.00 1.27 C ATOM 1174 CD1 TYR A 80 4.028 -4.071 -8.107 1.00 2.27 C ATOM 1175 CD2 TYR A 80 5.431 -4.080 -6.188 1.00 1.56 C ATOM 1176 CE1 TYR A 80 4.105 -5.449 -8.178 1.00 3.30 C ATOM 1177 CE2 TYR A 80 5.516 -5.459 -6.254 1.00 2.49 C ATOM 1178 CZ TYR A 80 4.851 -6.137 -7.251 1.00 3.33 C ATOM 1179 OH TYR A 80 4.926 -7.510 -7.320 1.00 4.39 O ATOM 0 H TYR A 80 3.099 -1.148 -9.123 1.00 0.34 H new ATOM 0 HA TYR A 80 2.614 -1.921 -6.291 1.00 0.38 H new ATOM 0 HB2 TYR A 80 5.130 -1.398 -7.870 1.00 0.60 H new ATOM 0 HB3 TYR A 80 5.078 -1.494 -6.121 1.00 0.60 H new ATOM 0 HD1 TYR A 80 3.442 -3.536 -8.840 1.00 2.27 H new ATOM 0 HD2 TYR A 80 5.953 -3.554 -5.402 1.00 1.56 H new ATOM 0 HE1 TYR A 80 3.582 -5.982 -8.958 1.00 3.30 H new ATOM 0 HE2 TYR A 80 6.102 -6.002 -5.527 1.00 2.49 H new ATOM 0 HH TYR A 80 4.395 -7.829 -8.079 1.00 4.39 H new ATOM 1189 N VAL A 81 2.891 0.390 -5.404 1.00 0.32 N ATOM 1190 CA VAL A 81 2.511 1.713 -4.946 1.00 0.32 C ATOM 1191 C VAL A 81 3.705 2.649 -4.926 1.00 0.32 C ATOM 1192 O VAL A 81 4.695 2.385 -4.253 1.00 0.36 O ATOM 1193 CB VAL A 81 1.876 1.673 -3.547 1.00 0.36 C ATOM 1194 CG1 VAL A 81 1.322 3.039 -3.170 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.786 0.615 -3.482 1.00 0.38 C ATOM 0 H VAL A 81 3.056 -0.287 -4.659 1.00 0.32 H new ATOM 0 HA VAL A 81 1.771 2.087 -5.654 1.00 0.32 H new ATOM 0 HB VAL A 81 2.651 1.408 -2.828 1.00 0.36 H new ATOM 0 HG11 VAL A 81 0.877 2.989 -2.176 1.00 0.46 H new ATOM 0 HG12 VAL A 81 2.129 3.772 -3.170 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.563 3.336 -3.893 1.00 0.46 H new ATOM 0 HG21 VAL A 81 0.350 0.603 -2.483 1.00 0.38 H new ATOM 0 HG22 VAL A 81 0.012 0.845 -4.214 1.00 0.38 H new ATOM 0 HG23 VAL A 81 1.214 -0.363 -3.702 1.00 0.38 H new ATOM 1205 N THR A 82 3.616 3.729 -5.690 1.00 0.32 N ATOM 1206 CA THR A 82 4.667 4.724 -5.695 1.00 0.32 C ATOM 1207 C THR A 82 4.270 5.845 -4.768 1.00 0.31 C ATOM 1208 O THR A 82 3.091 6.190 -4.635 1.00 0.32 O ATOM 1209 CB THR A 82 4.934 5.317 -7.108 1.00 0.32 C ATOM 1210 OG1 THR A 82 6.285 5.740 -7.243 1.00 1.22 O ATOM 1211 CG2 THR A 82 4.070 6.524 -7.387 1.00 1.37 C ATOM 0 H THR A 82 2.831 3.933 -6.308 1.00 0.32 H new ATOM 0 HA THR A 82 5.584 4.234 -5.370 1.00 0.32 H new ATOM 0 HB THR A 82 4.703 4.517 -7.811 1.00 0.32 H new ATOM 0 HG1 THR A 82 6.425 6.107 -8.141 1.00 1.22 H new ATOM 0 HG21 THR A 82 4.289 6.906 -8.384 1.00 1.37 H new ATOM 0 HG22 THR A 82 3.019 6.240 -7.330 1.00 1.37 H new ATOM 0 HG23 THR A 82 4.277 7.298 -6.648 1.00 1.37 H new ATOM 1219 N ALA A 83 5.248 6.383 -4.104 1.00 0.33 N ATOM 1220 CA ALA A 83 5.016 7.499 -3.223 1.00 0.32 C ATOM 1221 C ALA A 83 5.426 8.800 -3.901 1.00 0.27 C ATOM 1222 O ALA A 83 6.573 8.959 -4.320 1.00 0.31 O ATOM 1223 CB ALA A 83 5.756 7.285 -1.918 1.00 0.41 C ATOM 0 H ALA A 83 6.218 6.070 -4.152 1.00 0.33 H new ATOM 0 HA ALA A 83 3.952 7.571 -2.997 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.577 8.132 -1.255 1.00 0.41 H new ATOM 0 HB2 ALA A 83 5.399 6.371 -1.443 1.00 0.41 H new ATOM 0 HB3 ALA A 83 6.824 7.198 -2.116 1.00 0.41 H new ATOM 1229 N GLN A 84 4.466 9.705 -4.049 1.00 0.25 N ATOM 1230 CA GLN A 84 4.714 10.987 -4.693 1.00 0.26 C ATOM 1231 C GLN A 84 5.076 12.045 -3.647 1.00 0.25 C ATOM 1232 O GLN A 84 6.109 11.927 -3.000 1.00 0.28 O ATOM 1233 CB GLN A 84 3.519 11.411 -5.557 1.00 0.33 C ATOM 1234 CG GLN A 84 3.827 12.568 -6.495 1.00 0.77 C ATOM 1235 CD GLN A 84 2.818 12.708 -7.617 1.00 1.32 C ATOM 1236 OE1 GLN A 84 1.583 12.296 -7.373 1.00 2.05 O flip ATOM 1237 NE2 GLN A 84 3.153 13.172 -8.708 1.00 2.02 N flip ATOM 0 H GLN A 84 3.506 9.573 -3.730 1.00 0.25 H new ATOM 0 HA GLN A 84 5.566 10.883 -5.365 1.00 0.26 H new ATOM 0 HB2 GLN A 84 3.185 10.556 -6.145 1.00 0.33 H new ATOM 0 HB3 GLN A 84 2.692 11.693 -4.905 1.00 0.33 H new ATOM 0 HG2 GLN A 84 3.855 13.495 -5.922 1.00 0.77 H new ATOM 0 HG3 GLN A 84 4.820 12.427 -6.923 1.00 0.77 H new ATOM 0 HE21 GLN A 84 4.114 13.479 -8.858 1.00 2.02 H new ATOM 0 HE22 GLN A 84 2.469 13.249 -9.461 1.00 2.02 H new ATOM 1246 N ASP A 85 4.266 13.092 -3.491 1.00 0.24 N ATOM 1247 CA ASP A 85 4.563 14.111 -2.480 1.00 0.28 C ATOM 1248 C ASP A 85 3.296 14.713 -1.873 1.00 0.26 C ATOM 1249 O ASP A 85 2.557 15.435 -2.547 1.00 0.27 O ATOM 1250 CB ASP A 85 5.443 15.216 -3.060 1.00 0.34 C ATOM 1251 CG ASP A 85 5.948 16.168 -1.992 1.00 0.44 C ATOM 1252 OD1 ASP A 85 6.933 15.828 -1.297 1.00 0.53 O ATOM 1253 OD2 ASP A 85 5.379 17.268 -1.857 1.00 0.56 O ATOM 0 H ASP A 85 3.419 13.257 -4.036 1.00 0.24 H new ATOM 0 HA ASP A 85 5.105 13.608 -1.679 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.292 14.768 -3.576 1.00 0.34 H new ATOM 0 HB3 ASP A 85 4.877 15.776 -3.805 1.00 0.34 H new ATOM 1258 N GLU A 86 3.063 14.396 -0.599 1.00 0.27 N ATOM 1259 CA GLU A 86 1.948 14.947 0.186 1.00 0.29 C ATOM 1260 C GLU A 86 0.625 14.724 -0.553 1.00 0.22 C ATOM 1261 O GLU A 86 0.478 13.690 -1.167 1.00 0.19 O ATOM 1262 CB GLU A 86 2.253 16.424 0.457 1.00 0.40 C ATOM 1263 CG GLU A 86 1.229 17.207 1.275 1.00 0.51 C ATOM 1264 CD GLU A 86 1.369 16.992 2.762 1.00 0.78 C ATOM 1265 OE1 GLU A 86 2.465 17.227 3.299 1.00 1.04 O ATOM 1266 OE2 GLU A 86 0.384 16.559 3.397 1.00 1.62 O ATOM 0 H GLU A 86 3.646 13.744 -0.074 1.00 0.27 H new ATOM 0 HA GLU A 86 1.841 14.440 1.145 1.00 0.29 H new ATOM 0 HB2 GLU A 86 3.212 16.482 0.971 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.374 16.926 -0.503 1.00 0.40 H new ATOM 0 HG2 GLU A 86 1.334 18.270 1.056 1.00 0.51 H new ATOM 0 HG3 GLU A 86 0.226 16.915 0.965 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.301 15.682 -0.571 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.586 15.451 -1.209 1.00 0.20 C ATOM 1275 C ASP A 87 -1.427 15.495 -2.715 1.00 0.23 C ATOM 1276 O ASP A 87 -1.724 16.488 -3.379 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.644 16.449 -0.734 1.00 0.28 C ATOM 1278 CG ASP A 87 -4.048 16.070 -1.182 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -4.249 14.902 -1.569 1.00 0.56 O ATOM 1280 OD2 ASP A 87 -4.958 16.930 -1.152 1.00 0.61 O ATOM 0 H ASP A 87 -0.185 16.607 -0.158 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.937 14.460 -0.921 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.618 16.510 0.354 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -2.400 17.441 -1.115 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.901 14.397 -3.208 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.805 14.099 -4.618 1.00 0.24 C ATOM 1287 C GLN A 88 -0.886 12.601 -4.716 1.00 0.21 C ATOM 1288 O GLN A 88 -0.117 11.906 -4.055 1.00 0.19 O ATOM 1289 CB GLN A 88 0.507 14.611 -5.226 1.00 0.32 C ATOM 1290 CG GLN A 88 0.472 16.077 -5.632 1.00 1.03 C ATOM 1291 CD GLN A 88 -0.545 16.357 -6.725 1.00 1.28 C ATOM 1292 OE1 GLN A 88 -1.707 16.655 -6.451 1.00 1.89 O ATOM 1293 NE2 GLN A 88 -0.114 16.263 -7.974 1.00 1.93 N ATOM 0 H GLN A 88 -0.515 13.661 -2.617 1.00 0.19 H new ATOM 0 HA GLN A 88 -1.601 14.593 -5.175 1.00 0.24 H new ATOM 0 HB2 GLN A 88 1.311 14.464 -4.505 1.00 0.32 H new ATOM 0 HB3 GLN A 88 0.749 14.008 -6.101 1.00 0.32 H new ATOM 0 HG2 GLN A 88 0.238 16.686 -4.759 1.00 1.03 H new ATOM 0 HG3 GLN A 88 1.461 16.379 -5.976 1.00 1.03 H new ATOM 0 HE21 GLN A 88 0.857 16.013 -8.161 1.00 1.93 H new ATOM 0 HE22 GLN A 88 -0.753 16.440 -8.749 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.804 12.077 -5.523 1.00 0.24 N ATOM 1303 CA PRO A 89 -2.205 10.684 -5.407 1.00 0.24 C ATOM 1304 C PRO A 89 -1.042 9.739 -5.614 1.00 0.21 C ATOM 1305 O PRO A 89 -0.112 10.027 -6.370 1.00 0.22 O ATOM 1306 CB PRO A 89 -3.231 10.503 -6.533 1.00 0.33 C ATOM 1307 CG PRO A 89 -3.654 11.880 -6.919 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.494 12.779 -6.612 1.00 0.33 C ATOM 0 HA PRO A 89 -2.597 10.459 -4.415 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -2.793 9.976 -7.381 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -4.082 9.912 -6.196 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -3.911 11.925 -7.977 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -4.540 12.185 -6.362 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.847 12.912 -7.479 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -2.824 13.772 -6.306 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.094 8.618 -4.916 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.125 7.569 -5.107 1.00 0.24 C ATOM 1318 C VAL A 90 -0.248 7.050 -6.534 1.00 0.24 C ATOM 1319 O VAL A 90 -1.344 6.761 -7.019 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.300 6.427 -4.070 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.400 7.001 -2.668 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -1.510 5.559 -4.375 1.00 1.10 C ATOM 0 H VAL A 90 -1.803 8.416 -4.211 1.00 0.23 H new ATOM 0 HA VAL A 90 0.876 7.971 -4.950 1.00 0.24 H new ATOM 0 HB VAL A 90 0.581 5.789 -4.134 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -0.522 6.190 -1.951 1.00 1.31 H new ATOM 0 HG12 VAL A 90 0.509 7.556 -2.436 1.00 1.31 H new ATOM 0 HG13 VAL A 90 -1.259 7.670 -2.609 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -1.593 4.774 -3.624 1.00 1.10 H new ATOM 0 HG22 VAL A 90 -2.411 6.172 -4.360 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.395 5.108 -5.361 1.00 1.10 H new ATOM 1332 N LEU A 91 0.868 6.983 -7.220 1.00 0.22 N ATOM 1333 CA LEU A 91 0.866 6.692 -8.632 1.00 0.24 C ATOM 1334 C LEU A 91 1.166 5.222 -8.789 1.00 0.26 C ATOM 1335 O LEU A 91 1.906 4.656 -7.987 1.00 0.33 O ATOM 1336 CB LEU A 91 1.887 7.560 -9.378 1.00 0.30 C ATOM 1337 CG LEU A 91 1.795 9.069 -9.108 1.00 0.31 C ATOM 1338 CD1 LEU A 91 2.905 9.801 -9.844 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.436 9.606 -9.534 1.00 0.34 C ATOM 0 H LEU A 91 1.795 7.127 -6.819 1.00 0.22 H new ATOM 0 HA LEU A 91 -0.106 6.924 -9.068 1.00 0.24 H new ATOM 0 HB2 LEU A 91 2.888 7.222 -9.112 1.00 0.30 H new ATOM 0 HB3 LEU A 91 1.767 7.392 -10.448 1.00 0.30 H new ATOM 0 HG LEU A 91 1.912 9.238 -8.037 1.00 0.31 H new ATOM 0 HD11 LEU A 91 2.830 10.870 -9.645 1.00 0.42 H new ATOM 0 HD12 LEU A 91 3.872 9.435 -9.500 1.00 0.42 H new ATOM 0 HD13 LEU A 91 2.810 9.624 -10.915 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.389 10.677 -9.335 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.292 9.428 -10.600 1.00 0.34 H new ATOM 0 HD23 LEU A 91 -0.348 9.098 -8.973 1.00 0.34 H new ATOM 1351 N LEU A 92 0.590 4.574 -9.768 1.00 0.27 N ATOM 1352 CA LEU A 92 0.705 3.140 -9.815 1.00 0.28 C ATOM 1353 C LEU A 92 1.900 2.777 -10.664 1.00 0.29 C ATOM 1354 O LEU A 92 1.881 2.802 -11.894 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.577 2.519 -10.367 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.828 2.783 -9.529 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -3.052 2.192 -10.201 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -1.667 2.212 -8.127 1.00 1.30 C ATOM 0 H LEU A 92 0.052 5.000 -10.523 1.00 0.27 H new ATOM 0 HA LEU A 92 0.849 2.746 -8.809 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.744 2.900 -11.374 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -0.435 1.442 -10.453 1.00 0.32 H new ATOM 0 HG LEU A 92 -1.962 3.862 -9.448 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -3.933 2.389 -9.591 1.00 1.15 H new ATOM 0 HD12 LEU A 92 -3.182 2.645 -11.184 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -2.922 1.116 -10.313 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -2.568 2.411 -7.547 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -1.505 1.136 -8.189 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -0.812 2.680 -7.640 1.00 1.30 H new ATOM 1370 N LYS A 93 2.958 2.462 -9.933 1.00 0.31 N ATOM 1371 CA LYS A 93 4.263 2.207 -10.477 1.00 0.37 C ATOM 1372 C LYS A 93 4.384 0.720 -10.725 1.00 0.38 C ATOM 1373 O LYS A 93 4.342 -0.071 -9.788 1.00 0.39 O ATOM 1374 CB LYS A 93 5.340 2.640 -9.459 1.00 0.46 C ATOM 1375 CG LYS A 93 6.697 2.847 -10.074 1.00 1.29 C ATOM 1376 CD LYS A 93 6.703 4.070 -10.980 1.00 2.11 C ATOM 1377 CE LYS A 93 7.909 4.098 -11.903 1.00 2.85 C ATOM 1378 NZ LYS A 93 7.798 3.094 -12.998 1.00 3.26 N ATOM 0 H LYS A 93 2.921 2.377 -8.917 1.00 0.31 H new ATOM 0 HA LYS A 93 4.402 2.764 -11.404 1.00 0.37 H new ATOM 0 HB2 LYS A 93 5.023 3.565 -8.978 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.415 1.884 -8.678 1.00 0.46 H new ATOM 0 HG2 LYS A 93 7.442 2.969 -9.288 1.00 1.29 H new ATOM 0 HG3 LYS A 93 6.979 1.964 -10.647 1.00 1.29 H new ATOM 0 HD2 LYS A 93 5.791 4.082 -11.577 1.00 2.11 H new ATOM 0 HD3 LYS A 93 6.695 4.972 -10.369 1.00 2.11 H new ATOM 0 HE2 LYS A 93 8.013 5.094 -12.334 1.00 2.85 H new ATOM 0 HE3 LYS A 93 8.813 3.905 -11.325 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 8.580 3.226 -13.670 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 7.844 2.136 -12.596 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 6.892 3.219 -13.493 1.00 3.26 H new ATOM 1392 N GLU A 94 4.555 0.319 -11.966 1.00 0.43 N ATOM 1393 CA GLU A 94 4.515 -1.084 -12.269 1.00 0.47 C ATOM 1394 C GLU A 94 5.918 -1.665 -12.245 1.00 0.52 C ATOM 1395 O GLU A 94 6.694 -1.596 -13.198 1.00 0.62 O ATOM 1396 CB GLU A 94 3.828 -1.287 -13.617 1.00 0.56 C ATOM 1397 CG GLU A 94 4.495 -0.582 -14.784 1.00 1.38 C ATOM 1398 CD GLU A 94 3.883 -0.969 -16.112 1.00 1.76 C ATOM 1399 OE1 GLU A 94 2.699 -0.645 -16.336 1.00 2.05 O ATOM 1400 OE2 GLU A 94 4.586 -1.577 -16.943 1.00 2.33 O ATOM 0 H GLU A 94 4.719 0.934 -12.763 1.00 0.43 H new ATOM 0 HA GLU A 94 3.937 -1.616 -11.513 1.00 0.47 H new ATOM 0 HB2 GLU A 94 3.787 -2.355 -13.831 1.00 0.56 H new ATOM 0 HB3 GLU A 94 2.798 -0.938 -13.540 1.00 0.56 H new ATOM 0 HG2 GLU A 94 4.414 0.497 -14.649 1.00 1.38 H new ATOM 0 HG3 GLU A 94 5.558 -0.823 -14.792 1.00 1.38 H new ATOM 1407 N MET A 95 6.226 -2.206 -11.082 1.00 0.50 N ATOM 1408 CA MET A 95 7.501 -2.835 -10.813 1.00 0.59 C ATOM 1409 C MET A 95 7.232 -4.295 -10.529 1.00 0.66 C ATOM 1410 O MET A 95 6.606 -4.621 -9.528 1.00 0.65 O ATOM 1411 CB MET A 95 8.191 -2.168 -9.611 1.00 0.60 C ATOM 1412 CG MET A 95 8.613 -0.727 -9.857 1.00 1.21 C ATOM 1413 SD MET A 95 9.678 -0.537 -11.303 1.00 1.67 S ATOM 1414 CE MET A 95 10.238 1.150 -11.090 1.00 2.39 C ATOM 0 H MET A 95 5.587 -2.220 -10.287 1.00 0.50 H new ATOM 0 HA MET A 95 8.168 -2.728 -11.669 1.00 0.59 H new ATOM 0 HB2 MET A 95 7.515 -2.196 -8.756 1.00 0.60 H new ATOM 0 HB3 MET A 95 9.071 -2.752 -9.341 1.00 0.60 H new ATOM 0 HG2 MET A 95 7.723 -0.111 -9.985 1.00 1.21 H new ATOM 0 HG3 MET A 95 9.136 -0.352 -8.977 1.00 1.21 H new ATOM 0 HE1 MET A 95 9.859 1.765 -11.906 1.00 2.39 H new ATOM 0 HE2 MET A 95 9.869 1.539 -10.141 1.00 2.39 H new ATOM 0 HE3 MET A 95 11.328 1.175 -11.093 1.00 2.39 H new ATOM 1424 N PRO A 96 7.693 -5.200 -11.383 1.00 0.82 N ATOM 1425 CA PRO A 96 7.270 -6.585 -11.313 1.00 0.95 C ATOM 1426 C PRO A 96 7.984 -7.377 -10.221 1.00 0.93 C ATOM 1427 O PRO A 96 9.208 -7.521 -10.243 1.00 0.98 O ATOM 1428 CB PRO A 96 7.616 -7.135 -12.703 1.00 1.19 C ATOM 1429 CG PRO A 96 8.262 -6.015 -13.465 1.00 1.26 C ATOM 1430 CD PRO A 96 8.647 -4.967 -12.463 1.00 0.99 C ATOM 0 HA PRO A 96 6.214 -6.669 -11.057 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.290 -7.988 -12.624 1.00 1.19 H new ATOM 0 HB3 PRO A 96 6.719 -7.484 -13.215 1.00 1.19 H new ATOM 0 HG2 PRO A 96 9.139 -6.372 -14.006 1.00 1.26 H new ATOM 0 HG3 PRO A 96 7.575 -5.606 -14.206 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.677 -5.085 -12.127 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.559 -3.961 -12.873 1.00 0.99 H new ATOM 1438 N GLU A 97 7.179 -7.925 -9.304 1.00 0.98 N ATOM 1439 CA GLU A 97 7.641 -8.783 -8.216 1.00 1.06 C ATOM 1440 C GLU A 97 8.587 -8.069 -7.248 1.00 0.90 C ATOM 1441 O GLU A 97 9.383 -7.212 -7.632 1.00 0.88 O ATOM 1442 CB GLU A 97 8.280 -10.048 -8.771 1.00 1.32 C ATOM 1443 CG GLU A 97 7.284 -10.944 -9.488 1.00 1.84 C ATOM 1444 CD GLU A 97 7.905 -12.214 -10.022 1.00 2.42 C ATOM 1445 OE1 GLU A 97 7.968 -13.213 -9.274 1.00 2.74 O ATOM 1446 OE2 GLU A 97 8.317 -12.227 -11.199 1.00 3.15 O ATOM 0 H GLU A 97 6.169 -7.780 -9.300 1.00 0.98 H new ATOM 0 HA GLU A 97 6.760 -9.055 -7.634 1.00 1.06 H new ATOM 0 HB2 GLU A 97 9.078 -9.774 -9.461 1.00 1.32 H new ATOM 0 HB3 GLU A 97 8.741 -10.605 -7.955 1.00 1.32 H new ATOM 0 HG2 GLU A 97 6.477 -11.202 -8.802 1.00 1.84 H new ATOM 0 HG3 GLU A 97 6.836 -10.391 -10.313 1.00 1.84 H new ATOM 1453 N ILE A 98 8.464 -8.417 -5.971 1.00 1.08 N ATOM 1454 CA ILE A 98 9.341 -7.883 -4.944 1.00 1.17 C ATOM 1455 C ILE A 98 10.746 -8.467 -5.086 1.00 1.10 C ATOM 1456 O ILE A 98 10.937 -9.686 -5.050 1.00 1.29 O ATOM 1457 CB ILE A 98 8.789 -8.164 -3.524 1.00 1.61 C ATOM 1458 CG1 ILE A 98 9.823 -7.775 -2.459 1.00 2.25 C ATOM 1459 CG2 ILE A 98 8.378 -9.626 -3.379 1.00 2.35 C ATOM 1460 CD1 ILE A 98 9.371 -8.037 -1.037 1.00 3.20 C ATOM 0 H ILE A 98 7.761 -9.070 -5.625 1.00 1.08 H new ATOM 0 HA ILE A 98 9.388 -6.802 -5.079 1.00 1.17 H new ATOM 0 HB ILE A 98 7.899 -7.552 -3.375 1.00 1.61 H new ATOM 0 HG12 ILE A 98 10.745 -8.326 -2.644 1.00 2.25 H new ATOM 0 HG13 ILE A 98 10.058 -6.716 -2.565 1.00 2.25 H new ATOM 0 HG21 ILE A 98 7.994 -9.798 -2.374 1.00 2.35 H new ATOM 0 HG22 ILE A 98 7.603 -9.860 -4.109 1.00 2.35 H new ATOM 0 HG23 ILE A 98 9.243 -10.266 -3.551 1.00 2.35 H new ATOM 0 HD11 ILE A 98 10.157 -7.736 -0.344 1.00 3.20 H new ATOM 0 HD12 ILE A 98 8.467 -7.464 -0.831 1.00 3.20 H new ATOM 0 HD13 ILE A 98 9.164 -9.100 -0.911 1.00 3.20 H new ATOM 1472 N PRO A 99 11.737 -7.595 -5.290 1.00 1.08 N ATOM 1473 CA PRO A 99 13.137 -7.991 -5.402 1.00 1.14 C ATOM 1474 C PRO A 99 13.712 -8.476 -4.073 1.00 1.08 C ATOM 1475 O PRO A 99 13.248 -8.097 -2.996 1.00 1.15 O ATOM 1476 CB PRO A 99 13.847 -6.707 -5.863 1.00 1.38 C ATOM 1477 CG PRO A 99 12.759 -5.784 -6.295 1.00 1.61 C ATOM 1478 CD PRO A 99 11.572 -6.146 -5.456 1.00 1.28 C ATOM 0 HA PRO A 99 13.266 -8.828 -6.089 1.00 1.14 H new ATOM 0 HB2 PRO A 99 14.434 -6.271 -5.054 1.00 1.38 H new ATOM 0 HB3 PRO A 99 14.536 -6.912 -6.682 1.00 1.38 H new ATOM 0 HG2 PRO A 99 13.044 -4.743 -6.144 1.00 1.61 H new ATOM 0 HG3 PRO A 99 12.541 -5.904 -7.356 1.00 1.61 H new ATOM 0 HD2 PRO A 99 11.576 -5.624 -4.499 1.00 1.28 H new ATOM 0 HD3 PRO A 99 10.633 -5.898 -5.951 1.00 1.28 H new ATOM 1486 N LYS A 100 14.736 -9.305 -4.169 1.00 1.10 N ATOM 1487 CA LYS A 100 15.405 -9.871 -3.007 1.00 1.07 C ATOM 1488 C LYS A 100 16.608 -9.031 -2.673 1.00 1.03 C ATOM 1489 O LYS A 100 17.190 -9.155 -1.607 1.00 0.99 O ATOM 1490 CB LYS A 100 15.780 -11.346 -3.247 1.00 1.15 C ATOM 1491 CG LYS A 100 16.531 -11.633 -4.548 1.00 1.99 C ATOM 1492 CD LYS A 100 18.008 -11.264 -4.466 1.00 2.34 C ATOM 1493 CE LYS A 100 18.724 -12.038 -3.367 1.00 3.09 C ATOM 1494 NZ LYS A 100 20.151 -11.640 -3.248 1.00 3.70 N ATOM 0 H LYS A 100 15.131 -9.607 -5.060 1.00 1.10 H new ATOM 0 HA LYS A 100 14.726 -9.859 -2.154 1.00 1.07 H new ATOM 0 HB2 LYS A 100 16.392 -11.687 -2.412 1.00 1.15 H new ATOM 0 HB3 LYS A 100 14.867 -11.941 -3.237 1.00 1.15 H new ATOM 0 HG2 LYS A 100 16.438 -12.691 -4.791 1.00 1.99 H new ATOM 0 HG3 LYS A 100 16.066 -11.077 -5.362 1.00 1.99 H new ATOM 0 HD2 LYS A 100 18.487 -11.466 -5.424 1.00 2.34 H new ATOM 0 HD3 LYS A 100 18.106 -10.194 -4.280 1.00 2.34 H new ATOM 0 HE2 LYS A 100 18.219 -11.868 -2.416 1.00 3.09 H new ATOM 0 HE3 LYS A 100 18.661 -13.106 -3.575 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 20.558 -12.060 -2.388 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 20.676 -11.978 -4.080 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 20.219 -10.604 -3.193 1.00 3.70 H new ATOM 1508 N THR A 101 17.025 -8.255 -3.641 1.00 1.10 N ATOM 1509 CA THR A 101 17.940 -7.176 -3.419 1.00 1.11 C ATOM 1510 C THR A 101 17.424 -5.962 -4.184 1.00 1.16 C ATOM 1511 O THR A 101 17.383 -5.950 -5.413 1.00 1.30 O ATOM 1512 CB THR A 101 19.368 -7.544 -3.840 1.00 1.30 C ATOM 1513 OG1 THR A 101 19.731 -8.791 -3.228 1.00 1.73 O ATOM 1514 CG2 THR A 101 20.341 -6.466 -3.398 1.00 1.92 C ATOM 0 H THR A 101 16.733 -8.359 -4.613 1.00 1.10 H new ATOM 0 HA THR A 101 17.993 -6.950 -2.354 1.00 1.11 H new ATOM 0 HB THR A 101 19.409 -7.633 -4.926 1.00 1.30 H new ATOM 0 HG1 THR A 101 20.707 -8.880 -3.220 1.00 1.73 H new ATOM 0 HG21 THR A 101 21.351 -6.740 -3.703 1.00 1.92 H new ATOM 0 HG22 THR A 101 20.067 -5.517 -3.860 1.00 1.92 H new ATOM 0 HG23 THR A 101 20.305 -6.366 -2.313 1.00 1.92 H new ATOM 1522 N ILE A 102 17.014 -4.961 -3.434 1.00 1.14 N ATOM 1523 CA ILE A 102 16.281 -3.814 -3.983 1.00 1.18 C ATOM 1524 C ILE A 102 17.186 -2.616 -4.174 1.00 1.22 C ATOM 1525 O ILE A 102 17.894 -2.191 -3.261 1.00 1.37 O ATOM 1526 CB ILE A 102 15.063 -3.411 -3.118 1.00 1.31 C ATOM 1527 CG1 ILE A 102 13.986 -4.503 -3.158 1.00 2.08 C ATOM 1528 CG2 ILE A 102 14.483 -2.082 -3.583 1.00 1.98 C ATOM 1529 CD1 ILE A 102 12.771 -4.202 -2.303 1.00 2.69 C ATOM 0 H ILE A 102 17.173 -4.909 -2.428 1.00 1.14 H new ATOM 0 HA ILE A 102 15.908 -4.140 -4.954 1.00 1.18 H new ATOM 0 HB ILE A 102 15.405 -3.296 -2.089 1.00 1.31 H new ATOM 0 HG12 ILE A 102 13.665 -4.645 -4.190 1.00 2.08 H new ATOM 0 HG13 ILE A 102 14.425 -5.445 -2.828 1.00 2.08 H new ATOM 0 HG21 ILE A 102 13.628 -1.820 -2.960 1.00 1.98 H new ATOM 0 HG22 ILE A 102 15.243 -1.305 -3.502 1.00 1.98 H new ATOM 0 HG23 ILE A 102 14.162 -2.168 -4.621 1.00 1.98 H new ATOM 0 HD11 ILE A 102 12.056 -5.021 -2.385 1.00 2.69 H new ATOM 0 HD12 ILE A 102 13.077 -4.090 -1.263 1.00 2.69 H new ATOM 0 HD13 ILE A 102 12.305 -3.278 -2.646 1.00 2.69 H new ATOM 1541 N THR A 103 17.141 -2.082 -5.374 1.00 1.15 N ATOM 1542 CA THR A 103 18.059 -1.063 -5.807 1.00 1.20 C ATOM 1543 C THR A 103 17.290 0.156 -6.316 1.00 1.08 C ATOM 1544 O THR A 103 16.350 0.023 -7.096 1.00 1.05 O ATOM 1545 CB THR A 103 19.008 -1.606 -6.902 1.00 1.39 C ATOM 1546 OG1 THR A 103 19.864 -0.568 -7.386 1.00 1.58 O ATOM 1547 CG2 THR A 103 18.230 -2.213 -8.062 1.00 1.57 C ATOM 0 H THR A 103 16.457 -2.349 -6.082 1.00 1.15 H new ATOM 0 HA THR A 103 18.668 -0.761 -4.955 1.00 1.20 H new ATOM 0 HB THR A 103 19.615 -2.390 -6.449 1.00 1.39 H new ATOM 0 HG1 THR A 103 20.458 -0.929 -8.076 1.00 1.58 H new ATOM 0 HG21 THR A 103 18.927 -2.585 -8.813 1.00 1.57 H new ATOM 0 HG22 THR A 103 17.617 -3.037 -7.697 1.00 1.57 H new ATOM 0 HG23 THR A 103 17.588 -1.453 -8.507 1.00 1.57 H new ATOM 1555 N GLY A 104 17.728 1.324 -5.842 1.00 1.08 N ATOM 1556 CA GLY A 104 17.085 2.618 -6.070 1.00 1.03 C ATOM 1557 C GLY A 104 15.589 2.621 -6.350 1.00 0.92 C ATOM 1558 O GLY A 104 14.818 2.910 -5.450 1.00 0.84 O ATOM 0 H GLY A 104 18.569 1.397 -5.269 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.264 3.241 -5.194 1.00 1.03 H new ATOM 0 HA3 GLY A 104 17.585 3.098 -6.911 1.00 1.03 H new ATOM 1562 N SER A 105 15.182 2.307 -7.570 1.00 0.96 N ATOM 1563 CA SER A 105 13.863 2.687 -8.086 1.00 0.92 C ATOM 1564 C SER A 105 12.668 2.054 -7.357 1.00 0.81 C ATOM 1565 O SER A 105 11.552 2.569 -7.456 1.00 0.77 O ATOM 1566 CB SER A 105 13.795 2.363 -9.577 1.00 1.05 C ATOM 1567 OG SER A 105 14.231 1.035 -9.831 1.00 1.47 O ATOM 0 H SER A 105 15.751 1.782 -8.235 1.00 0.96 H new ATOM 0 HA SER A 105 13.770 3.758 -7.904 1.00 0.92 H new ATOM 0 HB2 SER A 105 12.773 2.488 -9.933 1.00 1.05 H new ATOM 0 HB3 SER A 105 14.415 3.066 -10.134 1.00 1.05 H new ATOM 0 HG SER A 105 13.572 0.401 -9.479 1.00 1.47 H new ATOM 1573 N GLU A 106 12.869 0.964 -6.626 1.00 0.79 N ATOM 1574 CA GLU A 106 11.741 0.279 -5.988 1.00 0.72 C ATOM 1575 C GLU A 106 11.344 1.001 -4.694 1.00 0.56 C ATOM 1576 O GLU A 106 10.466 0.559 -3.956 1.00 0.51 O ATOM 1577 CB GLU A 106 12.091 -1.183 -5.695 1.00 0.82 C ATOM 1578 CG GLU A 106 12.919 -1.859 -6.782 1.00 1.28 C ATOM 1579 CD GLU A 106 12.301 -1.761 -8.162 1.00 1.74 C ATOM 1580 OE1 GLU A 106 11.472 -2.621 -8.512 1.00 2.39 O ATOM 1581 OE2 GLU A 106 12.673 -0.835 -8.914 1.00 2.11 O ATOM 0 H GLU A 106 13.781 0.539 -6.460 1.00 0.79 H new ATOM 0 HA GLU A 106 10.895 0.298 -6.674 1.00 0.72 H new ATOM 0 HB2 GLU A 106 12.639 -1.232 -4.754 1.00 0.82 H new ATOM 0 HB3 GLU A 106 11.167 -1.745 -5.556 1.00 0.82 H new ATOM 0 HG2 GLU A 106 13.911 -1.409 -6.804 1.00 1.28 H new ATOM 0 HG3 GLU A 106 13.051 -2.910 -6.526 1.00 1.28 H new ATOM 1588 N THR A 107 12.004 2.127 -4.452 1.00 0.55 N ATOM 1589 CA THR A 107 11.874 2.894 -3.230 1.00 0.49 C ATOM 1590 C THR A 107 10.522 3.589 -3.131 1.00 0.37 C ATOM 1591 O THR A 107 10.193 4.157 -2.088 1.00 0.38 O ATOM 1592 CB THR A 107 12.998 3.954 -3.123 1.00 0.62 C ATOM 1593 OG1 THR A 107 12.950 4.604 -1.848 1.00 1.41 O ATOM 1594 CG2 THR A 107 12.872 5.001 -4.222 1.00 1.27 C ATOM 0 H THR A 107 12.658 2.537 -5.118 1.00 0.55 H new ATOM 0 HA THR A 107 11.958 2.185 -2.407 1.00 0.49 H new ATOM 0 HB THR A 107 13.951 3.437 -3.236 1.00 0.62 H new ATOM 0 HG1 THR A 107 12.039 4.555 -1.490 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.674 5.732 -4.122 1.00 1.27 H new ATOM 0 HG22 THR A 107 12.942 4.516 -5.196 1.00 1.27 H new ATOM 0 HG23 THR A 107 11.909 5.505 -4.136 1.00 1.27 H new ATOM 1602 N ASN A 108 9.749 3.586 -4.209 1.00 0.34 N ATOM 1603 CA ASN A 108 8.439 4.152 -4.171 1.00 0.29 C ATOM 1604 C ASN A 108 7.559 3.288 -3.296 1.00 0.25 C ATOM 1605 O ASN A 108 6.661 3.764 -2.604 1.00 0.27 O ATOM 1606 CB ASN A 108 7.919 4.175 -5.593 1.00 0.40 C ATOM 1607 CG ASN A 108 8.886 4.859 -6.549 1.00 0.58 C ATOM 1608 OD1 ASN A 108 8.901 4.412 -7.794 1.00 1.39 O flip ATOM 1609 ND2 ASN A 108 9.612 5.778 -6.172 1.00 1.22 N flip ATOM 0 H ASN A 108 10.020 3.195 -5.111 1.00 0.34 H new ATOM 0 HA ASN A 108 8.447 5.162 -3.761 1.00 0.29 H new ATOM 0 HB2 ASN A 108 7.740 3.154 -5.929 1.00 0.40 H new ATOM 0 HB3 ASN A 108 6.959 4.691 -5.619 1.00 0.40 H new ATOM 0 HD21 ASN A 108 9.572 6.095 -5.203 1.00 1.22 H new ATOM 0 HD22 ASN A 108 10.254 6.223 -6.828 1.00 1.22 H new ATOM 1616 N LEU A 109 7.877 2.007 -3.337 1.00 0.25 N ATOM 1617 CA LEU A 109 7.116 0.963 -2.690 1.00 0.26 C ATOM 1618 C LEU A 109 7.594 0.657 -1.260 1.00 0.21 C ATOM 1619 O LEU A 109 7.569 -0.499 -0.832 1.00 0.23 O ATOM 1620 CB LEU A 109 7.268 -0.274 -3.565 1.00 0.41 C ATOM 1621 CG LEU A 109 6.524 -1.522 -3.126 1.00 0.54 C ATOM 1622 CD1 LEU A 109 5.043 -1.376 -3.403 1.00 0.83 C ATOM 1623 CD2 LEU A 109 7.101 -2.716 -3.853 1.00 0.95 C ATOM 0 H LEU A 109 8.695 1.658 -3.836 1.00 0.25 H new ATOM 0 HA LEU A 109 6.079 1.282 -2.587 1.00 0.26 H new ATOM 0 HB2 LEU A 109 6.938 -0.019 -4.572 1.00 0.41 H new ATOM 0 HB3 LEU A 109 8.329 -0.516 -3.628 1.00 0.41 H new ATOM 0 HG LEU A 109 6.644 -1.668 -2.052 1.00 0.54 H new ATOM 0 HD11 LEU A 109 4.522 -2.279 -3.083 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.653 -0.518 -2.855 1.00 0.83 H new ATOM 0 HD13 LEU A 109 4.886 -1.226 -4.471 1.00 0.83 H new ATOM 0 HD21 LEU A 109 6.574 -3.619 -3.545 1.00 0.95 H new ATOM 0 HD22 LEU A 109 6.987 -2.578 -4.928 1.00 0.95 H new ATOM 0 HD23 LEU A 109 8.159 -2.813 -3.610 1.00 0.95 H new ATOM 1635 N LEU A 110 7.997 1.657 -0.492 1.00 0.20 N ATOM 1636 CA LEU A 110 8.369 1.392 0.876 1.00 0.21 C ATOM 1637 C LEU A 110 7.207 1.768 1.781 1.00 0.23 C ATOM 1638 O LEU A 110 6.574 2.804 1.570 1.00 0.31 O ATOM 1639 CB LEU A 110 9.608 2.212 1.236 1.00 0.28 C ATOM 1640 CG LEU A 110 10.683 2.312 0.147 1.00 0.81 C ATOM 1641 CD1 LEU A 110 11.924 3.004 0.683 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.040 0.945 -0.410 1.00 1.64 C ATOM 0 H LEU A 110 8.072 2.631 -0.787 1.00 0.20 H new ATOM 0 HA LEU A 110 8.601 0.335 1.005 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.289 3.221 1.499 1.00 0.28 H new ATOM 0 HB3 LEU A 110 10.061 1.779 2.128 1.00 0.28 H new ATOM 0 HG LEU A 110 10.272 2.908 -0.668 1.00 0.81 H new ATOM 0 HD11 LEU A 110 12.675 3.065 -0.104 1.00 1.71 H new ATOM 0 HD12 LEU A 110 11.665 4.009 1.016 1.00 1.71 H new ATOM 0 HD13 LEU A 110 12.324 2.435 1.522 1.00 1.71 H new ATOM 0 HD21 LEU A 110 11.805 1.054 -1.179 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.420 0.313 0.393 1.00 1.64 H new ATOM 0 HD23 LEU A 110 10.152 0.486 -0.844 1.00 1.64 H new ATOM 1654 N PHE A 111 6.937 0.964 2.811 1.00 0.22 N ATOM 1655 CA PHE A 111 5.734 1.196 3.613 1.00 0.25 C ATOM 1656 C PHE A 111 5.933 1.013 5.110 1.00 0.23 C ATOM 1657 O PHE A 111 6.393 -0.027 5.571 1.00 0.27 O ATOM 1658 CB PHE A 111 4.588 0.313 3.128 1.00 0.42 C ATOM 1659 CG PHE A 111 4.155 0.658 1.741 1.00 0.91 C ATOM 1660 CD1 PHE A 111 3.419 1.804 1.503 1.00 1.64 C ATOM 1661 CD2 PHE A 111 4.506 -0.143 0.674 1.00 1.18 C ATOM 1662 CE1 PHE A 111 3.043 2.141 0.221 1.00 2.38 C ATOM 1663 CE2 PHE A 111 4.129 0.188 -0.606 1.00 1.90 C ATOM 1664 CZ PHE A 111 3.397 1.331 -0.833 1.00 2.46 C ATOM 0 H PHE A 111 7.512 0.173 3.103 1.00 0.22 H new ATOM 0 HA PHE A 111 5.487 2.248 3.468 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.898 -0.731 3.160 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.741 0.415 3.807 1.00 0.42 H new ATOM 0 HD1 PHE A 111 3.137 2.440 2.329 1.00 1.64 H new ATOM 0 HD2 PHE A 111 5.083 -1.040 0.846 1.00 1.18 H new ATOM 0 HE1 PHE A 111 2.471 3.040 0.044 1.00 2.38 H new ATOM 0 HE2 PHE A 111 4.407 -0.449 -1.433 1.00 1.90 H new ATOM 0 HZ PHE A 111 3.101 1.592 -1.838 1.00 2.46 H new ATOM 1674 N PHE A 112 5.563 2.061 5.841 1.00 0.21 N ATOM 1675 CA PHE A 112 5.582 2.072 7.305 1.00 0.25 C ATOM 1676 C PHE A 112 4.301 1.436 7.791 1.00 0.25 C ATOM 1677 O PHE A 112 3.236 2.048 7.718 1.00 0.26 O ATOM 1678 CB PHE A 112 5.616 3.496 7.893 1.00 0.30 C ATOM 1679 CG PHE A 112 6.962 4.165 8.021 1.00 0.57 C ATOM 1680 CD1 PHE A 112 7.984 3.554 8.730 1.00 0.79 C ATOM 1681 CD2 PHE A 112 7.227 5.358 7.383 1.00 0.95 C ATOM 1682 CE1 PHE A 112 9.237 4.129 8.811 1.00 1.21 C ATOM 1683 CE2 PHE A 112 8.484 5.935 7.451 1.00 1.43 C ATOM 1684 CZ PHE A 112 9.395 5.475 8.345 1.00 1.50 C ATOM 0 H PHE A 112 5.238 2.937 5.431 1.00 0.21 H new ATOM 0 HA PHE A 112 6.480 1.542 7.622 1.00 0.25 H new ATOM 0 HB2 PHE A 112 4.982 4.131 7.274 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.162 3.462 8.883 1.00 0.30 H new ATOM 0 HD1 PHE A 112 7.798 2.613 9.227 1.00 0.79 H new ATOM 0 HD2 PHE A 112 6.445 5.849 6.823 1.00 0.95 H new ATOM 0 HE1 PHE A 112 10.075 3.579 9.214 1.00 1.21 H new ATOM 0 HE2 PHE A 112 8.739 6.752 6.792 1.00 1.43 H new ATOM 0 HZ PHE A 112 10.206 6.098 8.691 1.00 1.50 H new ATOM 1694 N TRP A 113 4.396 0.224 8.276 1.00 0.31 N ATOM 1695 CA TRP A 113 3.207 -0.528 8.644 1.00 0.35 C ATOM 1696 C TRP A 113 2.881 -0.302 10.123 1.00 0.33 C ATOM 1697 O TRP A 113 3.525 -0.856 11.015 1.00 0.37 O ATOM 1698 CB TRP A 113 3.520 -2.008 8.371 1.00 0.48 C ATOM 1699 CG TRP A 113 2.394 -2.975 8.583 1.00 1.08 C ATOM 1700 CD1 TRP A 113 1.291 -3.137 7.799 1.00 2.30 C ATOM 1701 CD2 TRP A 113 2.290 -3.951 9.630 1.00 1.17 C ATOM 1702 NE1 TRP A 113 0.509 -4.155 8.291 1.00 3.02 N ATOM 1703 CE2 TRP A 113 1.094 -4.660 9.421 1.00 2.29 C ATOM 1704 CE3 TRP A 113 3.088 -4.286 10.729 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 0.679 -5.689 10.264 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 2.674 -5.307 11.566 1.00 1.47 C ATOM 1707 CH2 TRP A 113 1.477 -5.996 11.330 1.00 2.02 C ATOM 0 H TRP A 113 5.277 -0.268 8.428 1.00 0.31 H new ATOM 0 HA TRP A 113 2.338 -0.208 8.069 1.00 0.35 H new ATOM 0 HB2 TRP A 113 3.861 -2.101 7.340 1.00 0.48 H new ATOM 0 HB3 TRP A 113 4.351 -2.305 9.010 1.00 0.48 H new ATOM 0 HD1 TRP A 113 1.065 -2.552 6.920 1.00 2.30 H new ATOM 0 HE1 TRP A 113 -0.366 -4.481 7.880 1.00 3.02 H new ATOM 0 HE3 TRP A 113 4.010 -3.757 10.921 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 -0.241 -6.225 10.081 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 3.284 -5.577 12.415 1.00 1.47 H new ATOM 0 HH2 TRP A 113 1.179 -6.785 12.004 1.00 2.02 H new ATOM 1718 N GLU A 114 1.874 0.542 10.359 1.00 0.32 N ATOM 1719 CA GLU A 114 1.404 0.850 11.708 1.00 0.37 C ATOM 1720 C GLU A 114 0.030 0.236 11.962 1.00 0.39 C ATOM 1721 O GLU A 114 -0.983 0.773 11.511 1.00 0.42 O ATOM 1722 CB GLU A 114 1.362 2.366 11.929 1.00 0.43 C ATOM 1723 CG GLU A 114 2.693 3.054 11.657 1.00 0.96 C ATOM 1724 CD GLU A 114 2.747 4.476 12.183 1.00 1.50 C ATOM 1725 OE1 GLU A 114 1.682 5.052 12.480 1.00 1.90 O ATOM 1726 OE2 GLU A 114 3.867 5.017 12.320 1.00 2.32 O ATOM 0 H GLU A 114 1.364 1.029 9.622 1.00 0.32 H new ATOM 0 HA GLU A 114 2.107 0.414 12.418 1.00 0.37 H new ATOM 0 HB2 GLU A 114 0.599 2.799 11.282 1.00 0.43 H new ATOM 0 HB3 GLU A 114 1.061 2.568 12.957 1.00 0.43 H new ATOM 0 HG2 GLU A 114 3.495 2.474 12.113 1.00 0.96 H new ATOM 0 HG3 GLU A 114 2.877 3.063 10.583 1.00 0.96 H new ATOM 1733 N THR A 115 -0.025 -0.842 12.721 1.00 0.47 N ATOM 1734 CA THR A 115 -1.274 -1.566 12.907 1.00 0.49 C ATOM 1735 C THR A 115 -1.948 -1.185 14.224 1.00 0.52 C ATOM 1736 O THR A 115 -1.325 -1.203 15.285 1.00 0.64 O ATOM 1737 CB THR A 115 -1.052 -3.098 12.846 1.00 0.67 C ATOM 1738 OG1 THR A 115 -2.290 -3.792 13.044 1.00 1.38 O ATOM 1739 CG2 THR A 115 -0.037 -3.554 13.882 1.00 1.39 C ATOM 0 H THR A 115 0.774 -1.236 13.217 1.00 0.47 H new ATOM 0 HA THR A 115 -1.934 -1.281 12.088 1.00 0.49 H new ATOM 0 HB THR A 115 -0.661 -3.334 11.856 1.00 0.67 H new ATOM 0 HG1 THR A 115 -2.134 -4.759 13.001 1.00 1.38 H new ATOM 0 HG21 THR A 115 0.095 -4.634 13.812 1.00 1.39 H new ATOM 0 HG22 THR A 115 0.917 -3.059 13.699 1.00 1.39 H new ATOM 0 HG23 THR A 115 -0.394 -3.296 14.879 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.218 -0.792 14.143 1.00 0.47 N ATOM 1748 CA HIS A 116 -3.996 -0.464 15.334 1.00 0.56 C ATOM 1749 C HIS A 116 -5.329 -1.205 15.298 1.00 0.56 C ATOM 1750 O HIS A 116 -6.282 -0.746 14.667 1.00 0.55 O ATOM 1751 CB HIS A 116 -4.275 1.047 15.414 1.00 0.66 C ATOM 1752 CG HIS A 116 -3.060 1.924 15.346 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -2.373 2.352 16.458 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -2.429 2.473 14.283 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -1.375 3.129 16.082 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -1.385 3.221 14.765 1.00 2.89 N ATOM 0 H HIS A 116 -3.729 -0.693 13.266 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.417 -0.765 16.207 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -4.947 1.320 14.600 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -4.802 1.254 16.345 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -2.698 2.346 13.245 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -0.668 3.610 16.742 1.00 2.63 H new ATOM 0 HE2 HIS A 116 -0.727 3.758 14.201 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.400 -2.339 15.978 1.00 0.64 N ATOM 1766 CA GLY A 117 -6.637 -3.097 16.029 1.00 0.71 C ATOM 1767 C GLY A 117 -6.949 -3.776 14.710 1.00 0.69 C ATOM 1768 O GLY A 117 -6.332 -4.782 14.351 1.00 0.74 O ATOM 0 H GLY A 117 -4.624 -2.750 16.497 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -6.568 -3.849 16.815 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.458 -2.431 16.296 1.00 0.71 H new ATOM 1772 N THR A 118 -7.902 -3.209 13.984 1.00 0.66 N ATOM 1773 CA THR A 118 -8.278 -3.704 12.669 1.00 0.69 C ATOM 1774 C THR A 118 -7.697 -2.809 11.577 1.00 0.56 C ATOM 1775 O THR A 118 -7.204 -3.290 10.559 1.00 0.57 O ATOM 1776 CB THR A 118 -9.810 -3.780 12.517 1.00 0.81 C ATOM 1777 OG1 THR A 118 -10.407 -2.520 12.854 1.00 1.60 O ATOM 1778 CG2 THR A 118 -10.389 -4.872 13.405 1.00 1.39 C ATOM 0 H THR A 118 -8.435 -2.395 14.290 1.00 0.66 H new ATOM 0 HA THR A 118 -7.871 -4.710 12.566 1.00 0.69 H new ATOM 0 HB THR A 118 -10.034 -4.018 11.477 1.00 0.81 H new ATOM 0 HG1 THR A 118 -11.380 -2.581 12.752 1.00 1.60 H new ATOM 0 HG21 THR A 118 -11.471 -4.906 13.281 1.00 1.39 H new ATOM 0 HG22 THR A 118 -9.961 -5.834 13.125 1.00 1.39 H new ATOM 0 HG23 THR A 118 -10.150 -4.658 14.447 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.742 -1.503 11.817 1.00 0.50 N ATOM 1787 CA LYS A 119 -7.211 -0.521 10.889 1.00 0.41 C ATOM 1788 C LYS A 119 -5.682 -0.478 11.000 1.00 0.35 C ATOM 1789 O LYS A 119 -5.092 -0.947 11.979 1.00 0.40 O ATOM 1790 CB LYS A 119 -7.774 0.862 11.230 1.00 0.46 C ATOM 1791 CG LYS A 119 -7.531 1.264 12.683 1.00 0.98 C ATOM 1792 CD LYS A 119 -7.699 2.758 12.898 1.00 1.36 C ATOM 1793 CE LYS A 119 -9.119 3.219 12.623 1.00 1.79 C ATOM 1794 NZ LYS A 119 -9.171 4.683 12.384 1.00 2.49 N ATOM 0 H LYS A 119 -8.148 -1.099 12.661 1.00 0.50 H new ATOM 0 HA LYS A 119 -7.497 -0.797 9.874 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.321 1.605 10.573 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -8.846 0.871 11.031 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -8.224 0.725 13.329 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -6.525 0.967 12.978 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -7.429 3.009 13.924 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -7.011 3.297 12.247 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -9.514 2.692 11.754 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -9.758 2.963 13.468 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -10.153 4.970 12.199 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -8.816 5.185 13.223 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -8.580 4.922 11.562 1.00 2.49 H new ATOM 1808 N ASN A 120 -5.064 0.093 9.992 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.621 0.126 9.855 1.00 0.28 C ATOM 1810 C ASN A 120 -3.246 1.247 8.880 1.00 0.28 C ATOM 1811 O ASN A 120 -4.015 1.545 7.966 1.00 0.32 O ATOM 1812 CB ASN A 120 -3.179 -1.244 9.338 1.00 0.36 C ATOM 1813 CG ASN A 120 -1.693 -1.496 9.380 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -0.874 -0.617 9.153 1.00 2.08 O ATOM 1815 ND2 ASN A 120 -1.341 -2.725 9.687 1.00 2.07 N ATOM 0 H ASN A 120 -5.557 0.557 9.229 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.123 0.327 10.804 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -3.679 -2.015 9.925 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -3.521 -1.354 8.309 1.00 0.36 H new ATOM 0 HD21 ASN A 120 -0.353 -2.974 9.743 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -2.056 -3.430 9.869 1.00 2.07 H new ATOM 1822 N TYR A 121 -2.094 1.871 9.081 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.653 2.979 8.229 1.00 0.37 C ATOM 1824 C TYR A 121 -0.419 2.578 7.419 1.00 0.30 C ATOM 1825 O TYR A 121 0.292 1.656 7.815 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.333 4.197 9.106 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.541 4.768 9.815 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -3.063 4.142 10.935 1.00 1.46 C ATOM 1829 CD2 TYR A 121 -3.154 5.935 9.373 1.00 1.41 C ATOM 1830 CE1 TYR A 121 -4.154 4.656 11.599 1.00 1.98 C ATOM 1831 CE2 TYR A 121 -4.247 6.460 10.036 1.00 2.01 C ATOM 1832 CZ TYR A 121 -4.777 5.816 11.087 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.819 6.332 11.823 1.00 2.84 O ATOM 0 H TYR A 121 -1.442 1.632 9.828 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.452 3.230 7.532 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.587 3.913 9.848 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -0.886 4.974 8.485 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -2.605 3.232 11.295 1.00 1.46 H new ATOM 0 HD2 TYR A 121 -2.770 6.439 8.498 1.00 1.41 H new ATOM 0 HE1 TYR A 121 -4.527 4.181 12.495 1.00 1.98 H new ATOM 0 HE2 TYR A 121 -4.677 7.394 9.706 1.00 2.01 H new ATOM 0 HH TYR A 121 -6.650 5.873 11.580 1.00 2.84 H new ATOM 1843 N PHE A 122 -0.134 3.267 6.302 1.00 0.30 N ATOM 1844 CA PHE A 122 1.119 3.029 5.601 1.00 0.29 C ATOM 1845 C PHE A 122 1.824 4.342 5.317 1.00 0.26 C ATOM 1846 O PHE A 122 1.491 5.040 4.374 1.00 0.32 O ATOM 1847 CB PHE A 122 0.916 2.280 4.283 1.00 0.34 C ATOM 1848 CG PHE A 122 0.246 0.943 4.417 1.00 1.05 C ATOM 1849 CD1 PHE A 122 0.981 -0.179 4.770 1.00 1.45 C ATOM 1850 CD2 PHE A 122 -1.112 0.802 4.179 1.00 1.56 C ATOM 1851 CE1 PHE A 122 0.373 -1.415 4.884 1.00 2.18 C ATOM 1852 CE2 PHE A 122 -1.723 -0.431 4.290 1.00 2.27 C ATOM 1853 CZ PHE A 122 -0.980 -1.540 4.643 1.00 2.54 C ATOM 0 H PHE A 122 -0.740 3.972 5.882 1.00 0.30 H new ATOM 0 HA PHE A 122 1.729 2.407 6.256 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.322 2.903 3.615 1.00 0.34 H new ATOM 0 HB3 PHE A 122 1.887 2.139 3.808 1.00 0.34 H new ATOM 0 HD1 PHE A 122 2.040 -0.086 4.958 1.00 1.45 H new ATOM 0 HD2 PHE A 122 -1.699 1.666 3.904 1.00 1.56 H new ATOM 0 HE1 PHE A 122 0.956 -2.281 5.161 1.00 2.18 H new ATOM 0 HE2 PHE A 122 -2.782 -0.528 4.101 1.00 2.27 H new ATOM 0 HZ PHE A 122 -1.457 -2.505 4.730 1.00 2.54 H new ATOM 1863 N THR A 123 2.805 4.670 6.123 1.00 0.22 N ATOM 1864 CA THR A 123 3.580 5.870 5.910 1.00 0.22 C ATOM 1865 C THR A 123 4.754 5.512 5.016 1.00 0.20 C ATOM 1866 O THR A 123 5.297 4.435 5.138 1.00 0.19 O ATOM 1867 CB THR A 123 4.094 6.407 7.254 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.065 6.299 8.246 1.00 0.32 O ATOM 1869 CG2 THR A 123 4.533 7.853 7.136 1.00 0.33 C ATOM 0 H THR A 123 3.087 4.121 6.935 1.00 0.22 H new ATOM 0 HA THR A 123 2.966 6.641 5.444 1.00 0.22 H new ATOM 0 HB THR A 123 4.956 5.809 7.549 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.330 6.908 8.023 1.00 0.32 H new ATOM 0 HG21 THR A 123 4.892 8.204 8.103 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.335 7.931 6.402 1.00 0.33 H new ATOM 0 HG23 THR A 123 3.689 8.465 6.818 1.00 0.33 H new ATOM 1877 N SER A 124 5.129 6.347 4.078 1.00 0.21 N ATOM 1878 CA SER A 124 6.203 5.957 3.188 1.00 0.23 C ATOM 1879 C SER A 124 7.517 5.972 3.959 1.00 0.29 C ATOM 1880 O SER A 124 7.877 6.976 4.564 1.00 0.34 O ATOM 1881 CB SER A 124 6.254 6.882 1.979 1.00 0.26 C ATOM 1882 OG SER A 124 5.024 6.846 1.273 1.00 1.17 O ATOM 0 H SER A 124 4.726 7.269 3.911 1.00 0.21 H new ATOM 0 HA SER A 124 6.027 4.948 2.816 1.00 0.23 H new ATOM 0 HB2 SER A 124 6.465 7.901 2.302 1.00 0.26 H new ATOM 0 HB3 SER A 124 7.068 6.582 1.319 1.00 0.26 H new ATOM 0 HG SER A 124 4.996 6.048 0.704 1.00 1.17 H new ATOM 1888 N VAL A 125 8.229 4.842 3.944 1.00 0.33 N ATOM 1889 CA VAL A 125 9.401 4.673 4.800 1.00 0.43 C ATOM 1890 C VAL A 125 10.550 5.542 4.290 1.00 0.53 C ATOM 1891 O VAL A 125 11.449 5.919 5.046 1.00 0.65 O ATOM 1892 CB VAL A 125 9.854 3.178 4.876 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.043 2.910 3.967 1.00 0.81 C ATOM 1894 CG2 VAL A 125 10.206 2.790 6.298 1.00 0.47 C ATOM 0 H VAL A 125 8.015 4.038 3.353 1.00 0.33 H new ATOM 0 HA VAL A 125 9.124 4.987 5.807 1.00 0.43 H new ATOM 0 HB VAL A 125 9.014 2.571 4.538 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.331 1.862 4.045 1.00 0.81 H new ATOM 0 HG12 VAL A 125 10.771 3.136 2.936 1.00 0.81 H new ATOM 0 HG13 VAL A 125 11.880 3.540 4.268 1.00 0.81 H new ATOM 0 HG21 VAL A 125 10.518 1.746 6.324 1.00 0.47 H new ATOM 0 HG22 VAL A 125 11.020 3.421 6.656 1.00 0.47 H new ATOM 0 HG23 VAL A 125 9.334 2.924 6.938 1.00 0.47 H new ATOM 1904 N ALA A 126 10.501 5.868 3.004 1.00 0.53 N ATOM 1905 CA ALA A 126 11.460 6.793 2.417 1.00 0.63 C ATOM 1906 C ALA A 126 11.171 8.223 2.870 1.00 0.63 C ATOM 1907 O ALA A 126 12.082 8.983 3.192 1.00 0.72 O ATOM 1908 CB ALA A 126 11.427 6.701 0.897 1.00 0.68 C ATOM 0 H ALA A 126 9.808 5.506 2.349 1.00 0.53 H new ATOM 0 HA ALA A 126 12.457 6.517 2.759 1.00 0.63 H new ATOM 0 HB1 ALA A 126 12.150 7.399 0.474 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.679 5.686 0.588 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.428 6.952 0.539 1.00 0.68 H new ATOM 1914 N HIS A 127 9.893 8.587 2.859 1.00 0.56 N ATOM 1915 CA HIS A 127 9.450 9.912 3.279 1.00 0.58 C ATOM 1916 C HIS A 127 8.086 9.821 3.951 1.00 0.47 C ATOM 1917 O HIS A 127 7.101 9.499 3.300 1.00 0.44 O ATOM 1918 CB HIS A 127 9.357 10.874 2.090 1.00 0.72 C ATOM 1919 CG HIS A 127 10.681 11.342 1.576 1.00 1.15 C ATOM 1920 ND1 HIS A 127 11.496 12.195 2.279 1.00 1.70 N ATOM 1921 CD2 HIS A 127 11.331 11.076 0.419 1.00 1.99 C ATOM 1922 CE1 HIS A 127 12.586 12.437 1.581 1.00 2.29 C ATOM 1923 NE2 HIS A 127 12.514 11.770 0.446 1.00 2.47 N ATOM 0 H HIS A 127 9.136 7.973 2.559 1.00 0.56 H new ATOM 0 HA HIS A 127 10.188 10.297 3.983 1.00 0.58 H new ATOM 0 HB2 HIS A 127 8.819 10.382 1.280 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.767 11.742 2.384 1.00 0.72 H new ATOM 0 HD2 HIS A 127 10.983 10.436 -0.378 1.00 1.99 H new ATOM 0 HE1 HIS A 127 13.402 13.075 1.887 1.00 2.29 H new ATOM 0 HE2 HIS A 127 13.220 11.770 -0.290 1.00 2.47 H new ATOM 1932 N PRO A 128 8.012 10.122 5.252 1.00 0.47 N ATOM 1933 CA PRO A 128 6.756 10.127 6.015 1.00 0.43 C ATOM 1934 C PRO A 128 5.719 11.075 5.432 1.00 0.40 C ATOM 1935 O PRO A 128 4.519 10.828 5.525 1.00 0.39 O ATOM 1936 CB PRO A 128 7.155 10.575 7.404 1.00 0.53 C ATOM 1937 CG PRO A 128 8.479 11.238 7.231 1.00 0.79 C ATOM 1938 CD PRO A 128 9.149 10.507 6.103 1.00 0.60 C ATOM 0 HA PRO A 128 6.287 9.143 5.998 1.00 0.43 H new ATOM 0 HB2 PRO A 128 6.421 11.263 7.823 1.00 0.53 H new ATOM 0 HB3 PRO A 128 7.224 9.728 8.087 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.361 12.296 6.998 1.00 0.79 H new ATOM 0 HG3 PRO A 128 9.071 11.177 8.144 1.00 0.79 H new ATOM 0 HD2 PRO A 128 9.857 11.143 5.571 1.00 0.60 H new ATOM 0 HD3 PRO A 128 9.704 9.638 6.456 1.00 0.60 H new ATOM 1946 N ASN A 129 6.188 12.204 4.902 1.00 0.44 N ATOM 1947 CA ASN A 129 5.304 13.216 4.336 1.00 0.47 C ATOM 1948 C ASN A 129 4.591 12.676 3.112 1.00 0.39 C ATOM 1949 O ASN A 129 3.753 13.343 2.507 1.00 0.44 O ATOM 1950 CB ASN A 129 6.094 14.454 3.945 1.00 0.57 C ATOM 1951 CG ASN A 129 6.370 15.367 5.119 1.00 1.07 C ATOM 1952 OD1 ASN A 129 7.377 15.229 5.816 1.00 1.84 O ATOM 1953 ND2 ASN A 129 5.467 16.306 5.348 1.00 1.44 N ATOM 0 H ASN A 129 7.179 12.439 4.854 1.00 0.44 H new ATOM 0 HA ASN A 129 4.568 13.480 5.095 1.00 0.47 H new ATOM 0 HB2 ASN A 129 7.040 14.150 3.497 1.00 0.57 H new ATOM 0 HB3 ASN A 129 5.543 15.006 3.183 1.00 0.57 H new ATOM 0 HD21 ASN A 129 5.590 16.952 6.128 1.00 1.44 H new ATOM 0 HD22 ASN A 129 4.648 16.384 4.745 1.00 1.44 H new ATOM 1960 N LEU A 130 4.997 11.500 2.713 1.00 0.32 N ATOM 1961 CA LEU A 130 4.220 10.690 1.821 1.00 0.26 C ATOM 1962 C LEU A 130 3.467 9.699 2.707 1.00 0.24 C ATOM 1963 O LEU A 130 4.073 9.039 3.554 1.00 0.26 O ATOM 1964 CB LEU A 130 5.162 9.953 0.850 1.00 0.30 C ATOM 1965 CG LEU A 130 5.879 10.796 -0.232 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.327 12.159 0.274 1.00 1.38 C ATOM 1967 CD2 LEU A 130 7.093 10.044 -0.751 1.00 1.28 C ATOM 0 H LEU A 130 5.880 11.078 3.000 1.00 0.32 H new ATOM 0 HA LEU A 130 3.527 11.280 1.221 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.925 9.447 1.441 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.585 9.179 0.345 1.00 0.30 H new ATOM 0 HG LEU A 130 5.153 10.962 -1.028 1.00 0.58 H new ATOM 0 HD11 LEU A 130 6.823 12.701 -0.531 1.00 1.38 H new ATOM 0 HD12 LEU A 130 5.459 12.725 0.612 1.00 1.38 H new ATOM 0 HD13 LEU A 130 7.021 12.029 1.104 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.594 10.642 -1.512 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.782 9.853 0.072 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.775 9.096 -1.185 1.00 1.28 H new ATOM 1979 N PHE A 131 2.185 9.546 2.497 1.00 0.23 N ATOM 1980 CA PHE A 131 1.389 8.677 3.354 1.00 0.27 C ATOM 1981 C PHE A 131 0.223 8.111 2.549 1.00 0.26 C ATOM 1982 O PHE A 131 -0.410 8.825 1.772 1.00 0.26 O ATOM 1983 CB PHE A 131 0.918 9.473 4.585 1.00 0.42 C ATOM 1984 CG PHE A 131 0.602 8.670 5.820 1.00 0.36 C ATOM 1985 CD1 PHE A 131 -0.025 7.441 5.747 1.00 0.63 C ATOM 1986 CD2 PHE A 131 0.927 9.178 7.071 1.00 0.65 C ATOM 1987 CE1 PHE A 131 -0.321 6.729 6.893 1.00 0.97 C ATOM 1988 CE2 PHE A 131 0.634 8.469 8.220 1.00 0.96 C ATOM 1989 CZ PHE A 131 0.010 7.243 8.129 1.00 1.05 C ATOM 0 H PHE A 131 1.665 10.004 1.749 1.00 0.23 H new ATOM 0 HA PHE A 131 1.982 7.836 3.712 1.00 0.27 H new ATOM 0 HB2 PHE A 131 1.690 10.200 4.838 1.00 0.42 H new ATOM 0 HB3 PHE A 131 0.028 10.037 4.307 1.00 0.42 H new ATOM 0 HD1 PHE A 131 -0.287 7.032 4.782 1.00 0.63 H new ATOM 0 HD2 PHE A 131 1.415 10.139 7.147 1.00 0.65 H new ATOM 0 HE1 PHE A 131 -0.812 5.770 6.821 1.00 0.97 H new ATOM 0 HE2 PHE A 131 0.893 8.874 9.187 1.00 0.96 H new ATOM 0 HZ PHE A 131 -0.219 6.686 9.025 1.00 1.05 H new ATOM 1999 N ILE A 132 -0.077 6.847 2.786 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.941 6.067 1.933 1.00 0.27 C ATOM 2001 C ILE A 132 -2.390 6.224 2.366 1.00 0.25 C ATOM 2002 O ILE A 132 -2.856 5.613 3.326 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.495 4.580 1.968 1.00 0.34 C ATOM 2004 CG1 ILE A 132 0.842 4.427 1.238 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -1.550 3.662 1.361 1.00 0.80 C ATOM 2006 CD1 ILE A 132 0.823 4.927 -0.187 1.00 1.39 C ATOM 0 H ILE A 132 0.280 6.330 3.589 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.864 6.426 0.907 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.372 4.283 3.010 1.00 0.34 H new ATOM 0 HG12 ILE A 132 1.611 4.966 1.792 1.00 0.87 H new ATOM 0 HG13 ILE A 132 1.127 3.375 1.240 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -1.202 2.630 1.403 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -2.480 3.755 1.922 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.724 3.944 0.323 1.00 0.80 H new ATOM 0 HD11 ILE A 132 1.806 4.784 -0.636 1.00 1.39 H new ATOM 0 HD12 ILE A 132 0.079 4.371 -0.758 1.00 1.39 H new ATOM 0 HD13 ILE A 132 0.570 5.987 -0.197 1.00 1.39 H new ATOM 2018 N ALA A 133 -3.067 7.075 1.628 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.437 7.492 1.923 1.00 0.23 C ATOM 2020 C ALA A 133 -5.498 6.700 1.179 1.00 0.23 C ATOM 2021 O ALA A 133 -5.250 6.160 0.116 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.579 8.959 1.597 1.00 0.25 C ATOM 0 H ALA A 133 -2.682 7.509 0.789 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.605 7.299 2.983 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.597 9.283 1.813 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.879 9.536 2.202 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -4.363 9.120 0.541 1.00 0.25 H new ATOM 2028 N THR A 134 -6.687 6.650 1.757 1.00 0.23 N ATOM 2029 CA THR A 134 -7.859 6.112 1.105 1.00 0.25 C ATOM 2030 C THR A 134 -9.006 7.120 1.205 1.00 0.26 C ATOM 2031 O THR A 134 -9.250 7.708 2.260 1.00 0.31 O ATOM 2032 CB THR A 134 -8.242 4.764 1.709 1.00 0.31 C ATOM 2033 OG1 THR A 134 -7.039 4.086 2.057 1.00 0.96 O ATOM 2034 CG2 THR A 134 -9.020 3.921 0.712 1.00 1.01 C ATOM 0 H THR A 134 -6.862 6.987 2.704 1.00 0.23 H new ATOM 0 HA THR A 134 -7.640 5.941 0.051 1.00 0.25 H new ATOM 0 HB THR A 134 -8.874 4.923 2.583 1.00 0.31 H new ATOM 0 HG1 THR A 134 -7.218 3.126 2.144 1.00 0.96 H new ATOM 0 HG21 THR A 134 -9.280 2.966 1.168 1.00 1.01 H new ATOM 0 HG22 THR A 134 -9.931 4.446 0.424 1.00 1.01 H new ATOM 0 HG23 THR A 134 -8.407 3.746 -0.172 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.618 7.381 0.077 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.729 8.331 -0.019 1.00 0.31 C ATOM 2044 C LYS A 135 -12.035 7.582 -0.294 1.00 0.40 C ATOM 2045 O LYS A 135 -12.022 6.516 -0.904 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.486 9.380 -1.121 1.00 0.35 C ATOM 2047 CG LYS A 135 -9.259 10.274 -0.917 1.00 0.69 C ATOM 2048 CD LYS A 135 -9.304 11.474 -1.861 1.00 0.76 C ATOM 2049 CE LYS A 135 -7.936 12.124 -2.078 1.00 0.89 C ATOM 2050 NZ LYS A 135 -7.460 12.941 -0.923 1.00 0.63 N ATOM 0 H LYS A 135 -9.368 6.946 -0.811 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.801 8.856 0.934 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -10.383 8.863 -2.075 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -11.369 10.015 -1.196 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -9.222 10.619 0.116 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -8.350 9.699 -1.094 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -9.704 11.156 -2.824 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -9.993 12.218 -1.460 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -7.203 11.344 -2.284 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -7.983 12.758 -2.963 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -6.681 13.557 -1.231 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -8.243 13.525 -0.565 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -7.124 12.311 -0.167 1.00 0.63 H new ATOM 2064 N GLN A 136 -13.159 8.162 0.128 1.00 0.49 N ATOM 2065 CA GLN A 136 -14.474 7.536 -0.062 1.00 0.63 C ATOM 2066 C GLN A 136 -14.982 7.608 -1.497 1.00 0.58 C ATOM 2067 O GLN A 136 -15.761 6.755 -1.926 1.00 0.69 O ATOM 2068 CB GLN A 136 -15.523 8.178 0.846 1.00 0.82 C ATOM 2069 CG GLN A 136 -15.423 7.729 2.281 1.00 1.05 C ATOM 2070 CD GLN A 136 -16.761 7.694 2.980 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -17.636 8.525 2.732 1.00 1.75 O ATOM 2072 NE2 GLN A 136 -16.946 6.689 3.818 1.00 1.20 N ATOM 0 H GLN A 136 -13.188 9.064 0.604 1.00 0.49 H new ATOM 0 HA GLN A 136 -14.328 6.487 0.194 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -15.416 9.262 0.803 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -16.517 7.940 0.466 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -14.975 6.736 2.315 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -14.754 8.400 2.821 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -16.192 6.025 3.992 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -17.843 6.577 4.290 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.585 8.625 -2.229 1.00 0.48 N ATOM 2082 CA ASP A 137 -15.119 8.824 -3.578 1.00 0.52 C ATOM 2083 C ASP A 137 -14.014 9.002 -4.598 1.00 0.47 C ATOM 2084 O ASP A 137 -14.138 8.588 -5.750 1.00 0.56 O ATOM 2085 CB ASP A 137 -16.049 10.042 -3.625 1.00 0.63 C ATOM 2086 CG ASP A 137 -17.383 9.798 -2.948 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -18.218 9.054 -3.513 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -17.611 10.359 -1.853 1.00 2.21 O ATOM 0 H ASP A 137 -13.905 9.323 -1.928 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.683 7.926 -3.829 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -15.555 10.888 -3.147 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -16.221 10.320 -4.665 1.00 0.63 H new ATOM 2093 N TYR A 138 -12.941 9.632 -4.170 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.882 10.027 -5.076 1.00 0.38 C ATOM 2095 C TYR A 138 -10.754 9.013 -5.066 1.00 0.32 C ATOM 2096 O TYR A 138 -10.819 8.013 -4.354 1.00 0.31 O ATOM 2097 CB TYR A 138 -11.380 11.423 -4.717 1.00 0.44 C ATOM 2098 CG TYR A 138 -12.508 12.420 -4.582 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -13.127 12.954 -5.706 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -12.933 12.848 -3.332 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -14.138 13.887 -5.586 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -13.946 13.778 -3.204 1.00 1.98 C ATOM 2103 CZ TYR A 138 -14.620 14.211 -4.338 1.00 1.94 C ATOM 2104 OH TYR A 138 -15.547 15.229 -4.211 1.00 2.50 O ATOM 0 H TYR A 138 -12.778 9.883 -3.195 1.00 0.39 H new ATOM 0 HA TYR A 138 -12.281 10.058 -6.090 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -10.824 11.377 -3.780 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.685 11.765 -5.484 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -12.812 12.634 -6.688 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -12.464 12.447 -2.445 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -14.548 14.360 -6.466 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -14.211 14.165 -2.231 1.00 1.98 H new ATOM 0 HH TYR A 138 -15.789 15.335 -3.267 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.722 9.284 -5.837 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.601 8.373 -5.970 1.00 0.33 C ATOM 2116 C TRP A 139 -7.746 8.337 -4.704 1.00 0.30 C ATOM 2117 O TRP A 139 -7.813 9.229 -3.853 1.00 0.32 O ATOM 2118 CB TRP A 139 -7.749 8.758 -7.184 1.00 0.40 C ATOM 2119 CG TRP A 139 -7.729 10.231 -7.470 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -6.996 11.187 -6.828 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -8.479 10.916 -8.483 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -7.248 12.421 -7.374 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -8.154 12.282 -8.390 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -9.397 10.507 -9.454 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -8.710 13.238 -9.236 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -9.947 11.458 -10.293 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -9.604 12.810 -10.178 1.00 2.74 C ATOM 0 H TRP A 139 -9.635 10.138 -6.388 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.002 7.371 -6.120 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -6.727 8.415 -7.022 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -8.126 8.232 -8.061 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -6.317 11.000 -6.010 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -6.828 13.300 -7.071 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -9.672 9.467 -9.547 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -8.444 14.281 -9.151 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -10.654 11.152 -11.050 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -10.054 13.529 -10.846 1.00 2.74 H new ATOM 2138 N VAL A 140 -6.962 7.275 -4.592 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.068 7.061 -3.461 1.00 0.33 C ATOM 2140 C VAL A 140 -4.905 8.055 -3.488 1.00 0.30 C ATOM 2141 O VAL A 140 -4.016 7.967 -4.335 1.00 0.32 O ATOM 2142 CB VAL A 140 -5.530 5.607 -3.482 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -5.076 5.217 -4.881 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -4.392 5.416 -2.494 1.00 1.28 C ATOM 0 H VAL A 140 -6.927 6.531 -5.289 1.00 0.30 H new ATOM 0 HA VAL A 140 -6.630 7.222 -2.541 1.00 0.33 H new ATOM 0 HB VAL A 140 -6.351 4.956 -3.183 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -4.703 4.193 -4.870 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -5.918 5.289 -5.570 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -4.282 5.889 -5.206 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -4.041 4.385 -2.538 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -3.573 6.089 -2.748 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -4.744 5.637 -1.486 1.00 1.28 H new ATOM 2154 N CYS A 141 -4.927 9.023 -2.580 1.00 0.30 N ATOM 2155 CA CYS A 141 -3.889 10.038 -2.567 1.00 0.26 C ATOM 2156 C CYS A 141 -2.873 9.840 -1.444 1.00 0.25 C ATOM 2157 O CYS A 141 -2.721 8.750 -0.891 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.515 11.427 -2.453 1.00 0.33 C ATOM 2159 SG CYS A 141 -5.395 11.962 -3.936 1.00 1.21 S ATOM 0 H CYS A 141 -5.639 9.124 -1.857 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.349 9.943 -3.509 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.207 11.434 -1.611 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -3.731 12.150 -2.228 1.00 0.33 H new ATOM 0 HG CYS A 141 -5.892 13.148 -3.742 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.196 10.932 -1.137 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.057 10.967 -0.258 1.00 0.23 C ATOM 2167 C LEU A 142 -1.177 12.211 0.612 1.00 0.24 C ATOM 2168 O LEU A 142 -1.951 13.105 0.291 1.00 0.23 O ATOM 2169 CB LEU A 142 0.170 10.990 -1.177 1.00 0.21 C ATOM 2170 CG LEU A 142 1.499 10.555 -0.598 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.564 9.042 -0.491 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.633 11.071 -1.460 1.00 0.25 C ATOM 0 H LEU A 142 -2.439 11.849 -1.511 1.00 0.21 H new ATOM 0 HA LEU A 142 -0.983 10.114 0.417 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.044 10.354 -2.036 1.00 0.21 H new ATOM 0 HB3 LEU A 142 0.286 12.006 -1.554 1.00 0.21 H new ATOM 0 HG LEU A 142 1.598 10.974 0.403 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.527 8.748 -0.073 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.763 8.688 0.158 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.449 8.602 -1.482 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.586 10.753 -1.036 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.534 10.672 -2.469 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.597 12.160 -1.496 1.00 0.25 H new ATOM 2184 N ALA A 143 -0.486 12.227 1.730 1.00 0.34 N ATOM 2185 CA ALA A 143 -0.285 13.436 2.516 1.00 0.33 C ATOM 2186 C ALA A 143 0.857 13.192 3.491 1.00 0.60 C ATOM 2187 O ALA A 143 1.275 12.064 3.659 1.00 0.91 O ATOM 2188 CB ALA A 143 -1.558 13.812 3.260 1.00 0.38 C ATOM 0 H ALA A 143 -0.042 11.399 2.127 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.035 14.267 1.857 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.386 14.718 3.841 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.360 13.988 2.543 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -1.841 13.000 3.930 1.00 0.38 H new ATOM 2194 N GLY A 144 1.392 14.234 4.105 1.00 0.63 N ATOM 2195 CA GLY A 144 2.411 14.023 5.130 1.00 0.93 C ATOM 2196 C GLY A 144 1.779 13.945 6.493 1.00 0.93 C ATOM 2197 O GLY A 144 2.362 14.287 7.521 1.00 1.13 O ATOM 0 H GLY A 144 1.150 15.208 3.923 1.00 0.63 H new ATOM 0 HA2 GLY A 144 2.958 13.103 4.923 1.00 0.93 H new ATOM 0 HA3 GLY A 144 3.135 14.837 5.104 1.00 0.93 H new ATOM 2201 N GLY A 145 0.567 13.475 6.451 1.00 0.94 N ATOM 2202 CA GLY A 145 -0.239 13.201 7.601 1.00 1.38 C ATOM 2203 C GLY A 145 -1.466 12.572 7.050 1.00 1.61 C ATOM 2204 O GLY A 145 -1.441 12.157 5.891 1.00 1.48 O ATOM 0 H GLY A 145 0.093 13.263 5.573 1.00 0.94 H new ATOM 0 HA2 GLY A 145 0.272 12.534 8.295 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -0.472 14.114 8.150 1.00 1.38 H new ATOM 2208 N PRO A 146 -2.559 12.454 7.766 1.00 2.13 N ATOM 2209 CA PRO A 146 -3.799 12.333 7.074 1.00 2.27 C ATOM 2210 C PRO A 146 -4.744 13.512 7.300 1.00 1.59 C ATOM 2211 O PRO A 146 -4.999 13.913 8.426 1.00 2.15 O ATOM 2212 CB PRO A 146 -4.352 11.090 7.780 1.00 3.57 C ATOM 2213 CG PRO A 146 -3.790 11.147 9.188 1.00 3.98 C ATOM 2214 CD PRO A 146 -2.700 12.200 9.190 1.00 2.93 C ATOM 0 HA PRO A 146 -3.691 12.288 5.990 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -5.442 11.096 7.791 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -4.043 10.178 7.270 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -4.571 11.400 9.905 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -3.389 10.177 9.482 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -2.991 13.094 9.742 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -1.775 11.836 9.638 1.00 2.93 H new ATOM 2222 N PRO A 147 -5.288 14.082 6.226 1.00 1.33 N ATOM 2223 CA PRO A 147 -6.671 14.477 6.199 1.00 1.05 C ATOM 2224 C PRO A 147 -7.407 13.607 5.190 1.00 0.70 C ATOM 2225 O PRO A 147 -8.633 13.624 5.089 1.00 0.86 O ATOM 2226 CB PRO A 147 -6.556 15.912 5.687 1.00 1.57 C ATOM 2227 CG PRO A 147 -5.331 15.919 4.801 1.00 2.12 C ATOM 2228 CD PRO A 147 -4.557 14.644 5.084 1.00 2.10 C ATOM 0 HA PRO A 147 -7.205 14.387 7.145 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -7.446 16.204 5.130 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -6.450 16.617 6.511 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -5.618 15.969 3.751 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -4.715 16.795 5.005 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -4.558 13.969 4.228 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -3.514 14.847 5.328 1.00 2.10 H new ATOM 2236 N SER A 148 -6.608 12.825 4.462 1.00 0.49 N ATOM 2237 CA SER A 148 -7.059 11.679 3.725 1.00 0.43 C ATOM 2238 C SER A 148 -7.064 10.490 4.666 1.00 0.37 C ATOM 2239 O SER A 148 -6.195 10.396 5.528 1.00 0.37 O ATOM 2240 CB SER A 148 -6.168 11.451 2.511 1.00 0.57 C ATOM 2241 OG SER A 148 -6.299 12.509 1.568 1.00 0.64 O ATOM 0 H SER A 148 -5.605 12.989 4.377 1.00 0.49 H new ATOM 0 HA SER A 148 -8.069 11.832 3.345 1.00 0.43 H new ATOM 0 HB2 SER A 148 -5.129 11.372 2.830 1.00 0.57 H new ATOM 0 HB3 SER A 148 -6.430 10.505 2.038 1.00 0.57 H new ATOM 0 HG SER A 148 -5.586 12.441 0.899 1.00 0.64 H new ATOM 2247 N ILE A 149 -8.004 9.588 4.526 1.00 0.37 N ATOM 2248 CA ILE A 149 -8.081 8.471 5.442 1.00 0.32 C ATOM 2249 C ILE A 149 -7.095 7.384 5.060 1.00 0.26 C ATOM 2250 O ILE A 149 -7.352 6.525 4.218 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.500 7.927 5.563 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.401 9.034 6.121 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.544 6.694 6.457 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -9.981 9.538 7.489 1.00 1.21 C ATOM 0 H ILE A 149 -8.718 9.601 3.798 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.802 8.840 6.429 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.855 7.622 4.578 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -10.407 9.871 5.422 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -11.424 8.661 6.180 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.569 6.329 6.524 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.909 5.915 6.035 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -9.186 6.954 7.453 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -10.667 10.319 7.815 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -10.003 8.714 8.203 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -8.970 9.943 7.433 1.00 1.21 H new ATOM 2266 N THR A 150 -5.959 7.443 5.706 1.00 0.24 N ATOM 2267 CA THR A 150 -4.864 6.561 5.421 1.00 0.25 C ATOM 2268 C THR A 150 -5.049 5.339 6.282 1.00 0.26 C ATOM 2269 O THR A 150 -4.102 4.751 6.791 1.00 0.34 O ATOM 2270 CB THR A 150 -3.515 7.255 5.768 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.576 7.798 7.094 1.00 0.53 O ATOM 2272 CG2 THR A 150 -3.218 8.394 4.807 1.00 0.69 C ATOM 0 H THR A 150 -5.769 8.113 6.452 1.00 0.24 H new ATOM 0 HA THR A 150 -4.844 6.296 4.364 1.00 0.25 H new ATOM 0 HB THR A 150 -2.729 6.504 5.692 1.00 0.28 H new ATOM 0 HG1 THR A 150 -3.850 7.097 7.722 1.00 0.53 H new ATOM 0 HG21 THR A 150 -2.269 8.859 5.076 1.00 0.69 H new ATOM 0 HG22 THR A 150 -3.157 8.006 3.790 1.00 0.69 H new ATOM 0 HG23 THR A 150 -4.015 9.136 4.865 1.00 0.69 H new ATOM 2280 N ASP A 151 -6.302 4.959 6.430 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.642 3.802 7.143 1.00 0.25 C ATOM 2282 C ASP A 151 -6.805 2.682 6.171 1.00 0.26 C ATOM 2283 O ASP A 151 -7.187 2.875 5.031 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.887 4.024 7.967 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.631 4.836 9.220 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -7.589 6.081 9.141 1.00 1.07 O ATOM 2287 OD2 ASP A 151 -7.513 4.238 10.299 1.00 1.25 O ATOM 0 H ASP A 151 -7.099 5.466 6.046 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.850 3.547 7.847 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.634 4.533 7.357 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -8.308 3.058 8.246 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.446 1.544 6.611 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.807 0.332 5.969 1.00 0.27 C ATOM 2294 C PHE A 152 -7.205 -0.662 7.023 1.00 0.28 C ATOM 2295 O PHE A 152 -6.983 -0.449 8.198 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.668 -0.169 5.076 1.00 0.30 C ATOM 2297 CG PHE A 152 -5.134 -1.553 5.351 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -4.165 -1.753 6.323 1.00 2.11 C ATOM 2299 CD2 PHE A 152 -5.619 -2.651 4.666 1.00 2.12 C ATOM 2300 CE1 PHE A 152 -3.691 -3.018 6.602 1.00 3.33 C ATOM 2301 CE2 PHE A 152 -5.145 -3.919 4.938 1.00 3.35 C ATOM 2302 CZ PHE A 152 -4.120 -4.098 5.811 1.00 3.93 C ATOM 0 H PHE A 152 -5.878 1.417 7.449 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.658 0.488 5.306 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -6.011 -0.139 4.042 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -4.840 0.535 5.158 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -3.776 -0.906 6.869 1.00 2.11 H new ATOM 0 HD2 PHE A 152 -6.378 -2.516 3.909 1.00 2.12 H new ATOM 0 HE1 PHE A 152 -3.000 -3.176 7.417 1.00 3.33 H new ATOM 0 HE2 PHE A 152 -5.592 -4.774 4.453 1.00 3.35 H new ATOM 0 HZ PHE A 152 -3.639 -5.061 5.897 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.794 -1.723 6.579 1.00 0.30 N ATOM 2313 CA GLN A 153 -8.346 -2.742 7.423 1.00 0.33 C ATOM 2314 C GLN A 153 -8.567 -3.973 6.575 1.00 0.38 C ATOM 2315 O GLN A 153 -8.909 -3.856 5.395 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.624 -2.283 8.152 1.00 0.44 C ATOM 2317 CG GLN A 153 -10.522 -1.273 7.428 1.00 0.70 C ATOM 2318 CD GLN A 153 -11.962 -1.381 7.893 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -12.410 -2.446 8.318 1.00 1.27 O ATOM 2320 NE2 GLN A 153 -12.703 -0.294 7.804 1.00 1.20 N ATOM 0 H GLN A 153 -7.910 -1.915 5.584 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.646 -2.972 8.226 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -10.222 -3.167 8.374 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.330 -1.849 9.107 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -10.155 -0.263 7.608 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -10.471 -1.444 6.353 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -12.298 0.571 7.447 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -13.681 -0.319 8.092 1.00 1.20 H new ATOM 2329 N ILE A 154 -8.358 -5.146 7.141 1.00 0.43 N ATOM 2330 CA ILE A 154 -8.244 -6.339 6.333 1.00 0.45 C ATOM 2331 C ILE A 154 -9.590 -7.011 6.198 1.00 0.44 C ATOM 2332 O ILE A 154 -10.224 -7.416 7.174 1.00 0.49 O ATOM 2333 CB ILE A 154 -7.230 -7.348 6.925 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -7.483 -7.561 8.425 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -5.807 -6.880 6.675 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -6.575 -8.597 9.057 1.00 1.63 C ATOM 0 H ILE A 154 -8.265 -5.296 8.146 1.00 0.43 H new ATOM 0 HA ILE A 154 -7.882 -6.027 5.353 1.00 0.45 H new ATOM 0 HB ILE A 154 -7.367 -8.306 6.424 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -7.352 -6.612 8.944 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -8.520 -7.864 8.570 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -5.107 -7.601 7.098 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -5.635 -6.794 5.602 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -5.655 -5.909 7.146 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -6.813 -8.692 10.116 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -6.722 -9.558 8.565 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -5.536 -8.287 8.945 1.00 1.63 H new ATOM 2348 N LEU A 155 -10.019 -7.087 4.954 1.00 0.43 N ATOM 2349 CA LEU A 155 -11.303 -7.643 4.610 1.00 0.44 C ATOM 2350 C LEU A 155 -11.128 -9.029 4.010 1.00 0.57 C ATOM 2351 O LEU A 155 -10.472 -9.200 2.986 1.00 0.67 O ATOM 2352 CB LEU A 155 -12.031 -6.751 3.592 1.00 0.53 C ATOM 2353 CG LEU A 155 -12.353 -5.307 4.011 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.273 -4.693 2.978 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -12.995 -5.267 5.391 1.00 0.73 C ATOM 0 H LEU A 155 -9.480 -6.761 4.152 1.00 0.43 H new ATOM 0 HA LEU A 155 -11.897 -7.704 5.522 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -11.425 -6.711 2.687 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -12.968 -7.240 3.326 1.00 0.53 H new ATOM 0 HG LEU A 155 -11.427 -4.734 4.066 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.509 -3.668 3.264 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -12.780 -4.694 2.006 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -14.193 -5.274 2.919 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -13.212 -4.234 5.662 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -13.922 -5.841 5.378 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -12.312 -5.698 6.123 1.00 0.73 H new ATOM 2367 N GLU A 156 -11.683 -10.014 4.673 1.00 0.67 N ATOM 2368 CA GLU A 156 -11.767 -11.354 4.129 1.00 0.89 C ATOM 2369 C GLU A 156 -13.041 -11.431 3.296 1.00 0.99 C ATOM 2370 O GLU A 156 -13.962 -10.666 3.536 1.00 0.90 O ATOM 2371 CB GLU A 156 -11.803 -12.363 5.282 1.00 1.04 C ATOM 2372 CG GLU A 156 -11.879 -13.813 4.846 1.00 1.58 C ATOM 2373 CD GLU A 156 -11.994 -14.760 6.019 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -13.009 -14.700 6.742 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -11.061 -15.562 6.232 1.00 2.53 O ATOM 0 H GLU A 156 -12.089 -9.913 5.603 1.00 0.67 H new ATOM 0 HA GLU A 156 -10.905 -11.586 3.504 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -10.912 -12.227 5.895 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -12.662 -12.142 5.915 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -12.737 -13.948 4.188 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -10.990 -14.063 4.266 1.00 1.58 H new ATOM 2382 N ASN A 157 -13.111 -12.348 2.340 1.00 1.23 N ATOM 2383 CA ASN A 157 -14.276 -12.422 1.452 1.00 1.41 C ATOM 2384 C ASN A 157 -15.389 -13.241 2.103 1.00 1.66 C ATOM 2385 O ASN A 157 -15.130 -14.097 2.953 1.00 1.82 O ATOM 2386 CB ASN A 157 -13.851 -13.058 0.117 1.00 1.68 C ATOM 2387 CG ASN A 157 -15.014 -13.357 -0.816 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -15.510 -12.478 -1.515 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -15.430 -14.612 -0.864 1.00 2.44 N ATOM 0 H ASN A 157 -12.389 -13.044 2.156 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.658 -11.418 1.269 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -13.154 -12.389 -0.388 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -13.313 -13.984 0.321 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -16.186 -14.875 -1.496 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -14.995 -15.317 -0.269 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.624 -12.979 1.683 1.00 1.77 N ATOM 2397 CA GLN A 158 -17.797 -13.556 2.324 1.00 2.06 C ATOM 2398 C GLN A 158 -17.967 -15.024 1.944 1.00 2.49 C ATOM 2399 O GLN A 158 -18.009 -15.903 2.807 1.00 2.73 O ATOM 2400 CB GLN A 158 -19.033 -12.761 1.902 1.00 2.08 C ATOM 2401 CG GLN A 158 -20.271 -13.041 2.730 1.00 2.54 C ATOM 2402 CD GLN A 158 -21.507 -12.409 2.126 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -22.218 -13.039 1.346 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -21.756 -11.149 2.450 1.00 2.98 N ATOM 0 H GLN A 158 -16.836 -12.366 0.896 1.00 1.77 H new ATOM 0 HA GLN A 158 -17.669 -13.505 3.405 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -18.804 -11.697 1.962 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -19.252 -12.981 0.857 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.417 -14.118 2.812 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -20.126 -12.661 3.741 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -21.143 -10.659 3.101 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -22.561 -10.669 2.048 1.00 2.98 H new ATOM 2413 N ALA A 159 -18.052 -15.270 0.647 1.00 2.67 N ATOM 2414 CA ALA A 159 -18.142 -16.615 0.106 1.00 3.14 C ATOM 2415 C ALA A 159 -17.801 -16.590 -1.376 1.00 3.38 C ATOM 2416 O ALA A 159 -16.757 -17.156 -1.761 1.00 3.55 O ATOM 2417 CB ALA A 159 -19.535 -17.191 0.324 1.00 3.37 C ATOM 2418 OXT ALA A 159 -18.551 -15.950 -2.142 1.00 3.78 O ATOM 0 H ALA A 159 -18.061 -14.538 -0.063 1.00 2.67 H new ATOM 0 HA ALA A 159 -17.429 -17.255 0.626 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -19.581 -18.199 -0.089 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -19.751 -17.226 1.392 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -20.271 -16.561 -0.175 1.00 3.37 H new TER 2424 ALA A 159