USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1204 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 104 GLN : amide:sc= -3.46 K(o=-4.6,f=0.51) USER MOD Set 1.2: A 152 ASN : amide:sc= -1.15 K(o=-4.6,f=0.51) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.43 X(o=-1.7,f=-1.8) USER MOD Set 2.2: A 27 THR OG1 : rot 80:sc= -0.333 USER MOD Set 2.3: A 71 MET CE :methyl 170:sc= -0.967 (180deg=-0.298) USER MOD Set 3.1: A 30 CYS SG : rot 12:sc= -0.772 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.828 K(o=0.056,f=-4.5!) USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 93 THR OG1 : rot -98:sc= 1.21 USER MOD Set 4.3: A 115 ASN : amide:sc= -1.49! C(o=-0.28!,f=-2.2!) USER MOD Single : A 1 MET CE :methyl -109:sc= -0.145 (180deg=-0.426) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0184) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.09) USER MOD Single : A 5 GLN : amide:sc= -1.79! X(o=-1.8!,f=-1.4) USER MOD Single : A 7 ASN : amide:sc= 0.0797 X(o=0.08,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.09! C(o=-2.1!,f=-9.7!) USER MOD Single : A 16 SER OG : rot 3:sc= 0.482 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0957 K(o=-0.096,f=-3.3) USER MOD Single : A 23 GLN : amide:sc= -6.12! K(o=-6.1!,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.459) USER MOD Single : A 47 SER OG : rot 48:sc= -0.369! USER MOD Single : A 50 SER OG : rot -10:sc= 0.0728 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.051 K(o=-0.051,f=-6.5!) USER MOD Single : A 59 SER OG : rot 42:sc= 0.0171 USER MOD Single : A 75 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.027) USER MOD Single : A 80 ASN : amide:sc= -0.324 K(o=-0.32,f=-3!) USER MOD Single : A 98 THR OG1 : rot 160:sc= 0.00801 USER MOD Single : A 99 CYS SG : rot -99:sc= -0.417! USER MOD Single : A 100 THR OG1 : rot -130:sc= -0.527 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.15) USER MOD Single : A 117 TYR OH : rot 180:sc= -3.82! USER MOD Single : A 118 THR OG1 : rot 75:sc= 1.32 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 125 ASN : amide:sc= 0.0172 X(o=0.017,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0404) USER MOD Single : A 133 SER OG : rot 91:sc= 0.624 USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.02) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 138 ASN : amide:sc=0.000128 X(o=0.00013,f=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= 0.745 K(o=0.74,f=-5.8!) USER MOD Single : A 147 THR OG1 : rot 81:sc= 0.966 USER MOD Single : A 150 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0035) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.666 -0.491 9.572 1.00 2.96 N ATOM 2 CA MET A 1 -22.281 0.412 8.569 1.00 2.49 C ATOM 3 C MET A 1 -21.515 0.347 7.255 1.00 1.61 C ATOM 4 O MET A 1 -22.117 0.228 6.189 1.00 2.04 O ATOM 5 CB MET A 1 -22.311 1.855 9.093 1.00 2.65 C ATOM 6 CG MET A 1 -23.031 2.830 8.167 1.00 2.26 C ATOM 7 SD MET A 1 -21.979 3.508 6.861 1.00 2.63 S ATOM 8 CE MET A 1 -20.886 4.576 7.800 1.00 2.46 C ATOM 0 H1 MET A 1 -22.239 -0.487 10.440 1.00 2.96 H new ATOM 0 H2 MET A 1 -21.624 -1.457 9.190 1.00 2.96 H new ATOM 0 H3 MET A 1 -20.704 -0.163 9.791 1.00 2.96 H new ATOM 0 HA MET A 1 -23.305 0.083 8.393 1.00 2.49 H new ATOM 0 HB2 MET A 1 -22.798 1.868 10.068 1.00 2.65 H new ATOM 0 HB3 MET A 1 -21.288 2.199 9.243 1.00 2.65 H new ATOM 0 HG2 MET A 1 -23.880 2.322 7.710 1.00 2.26 H new ATOM 0 HG3 MET A 1 -23.432 3.651 8.761 1.00 2.26 H new ATOM 0 HE1 MET A 1 -21.128 5.618 7.592 1.00 2.46 H new ATOM 0 HE2 MET A 1 -21.012 4.380 8.865 1.00 2.46 H new ATOM 0 HE3 MET A 1 -19.852 4.380 7.515 1.00 2.46 H new ATOM 18 N ALA A 2 -20.188 0.430 7.344 1.00 0.91 N ATOM 19 CA ALA A 2 -19.320 0.385 6.170 1.00 0.66 C ATOM 20 C ALA A 2 -19.650 -0.817 5.295 1.00 0.57 C ATOM 21 O ALA A 2 -19.487 -1.962 5.713 1.00 0.68 O ATOM 22 CB ALA A 2 -17.862 0.349 6.601 1.00 1.48 C ATOM 0 H ALA A 2 -19.687 0.530 8.227 1.00 0.91 H new ATOM 0 HA ALA A 2 -19.490 1.285 5.580 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.223 0.316 5.719 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -17.632 1.242 7.182 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -17.685 -0.537 7.211 1.00 1.48 H new ATOM 28 N LYS A 3 -20.109 -0.543 4.078 1.00 0.46 N ATOM 29 CA LYS A 3 -20.620 -1.584 3.192 1.00 0.45 C ATOM 30 C LYS A 3 -19.504 -2.451 2.620 1.00 0.35 C ATOM 31 O LYS A 3 -19.771 -3.453 1.969 1.00 0.36 O ATOM 32 CB LYS A 3 -21.455 -0.980 2.056 1.00 0.54 C ATOM 33 CG LYS A 3 -22.772 -0.368 2.516 1.00 0.82 C ATOM 34 CD LYS A 3 -22.577 1.012 3.124 1.00 0.81 C ATOM 35 CE LYS A 3 -23.824 1.495 3.850 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.041 1.396 3.001 1.00 0.98 N ATOM 0 H LYS A 3 -20.138 0.396 3.681 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.260 -2.225 3.798 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.866 -0.213 1.553 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.664 -1.756 1.320 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.455 -0.298 1.669 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.240 -1.024 3.249 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.739 0.986 3.820 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.317 1.721 2.338 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.966 0.906 4.756 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.683 2.530 4.161 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.857 1.783 3.517 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.898 1.937 2.125 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.221 0.399 2.767 1.00 0.98 H new ATOM 50 N VAL A 4 -18.265 -2.059 2.849 1.00 0.32 N ATOM 51 CA VAL A 4 -17.129 -2.877 2.460 1.00 0.29 C ATOM 52 C VAL A 4 -16.174 -3.039 3.632 1.00 0.33 C ATOM 53 O VAL A 4 -15.625 -2.064 4.145 1.00 0.45 O ATOM 54 CB VAL A 4 -16.380 -2.297 1.232 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.936 -2.776 1.183 1.00 0.31 C ATOM 56 CG2 VAL A 4 -17.089 -2.689 -0.052 1.00 0.27 C ATOM 0 H VAL A 4 -18.018 -1.179 3.302 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.516 -3.854 2.170 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.379 -1.211 1.331 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.441 -2.350 0.310 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.416 -2.457 2.086 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.916 -3.864 1.117 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.552 -2.275 -0.905 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -17.118 -3.775 -0.134 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.107 -2.299 -0.040 1.00 0.27 H new ATOM 66 N GLN A 5 -16.011 -4.274 4.070 1.00 0.30 N ATOM 67 CA GLN A 5 -15.092 -4.591 5.143 1.00 0.34 C ATOM 68 C GLN A 5 -13.909 -5.383 4.612 1.00 0.31 C ATOM 69 O GLN A 5 -14.049 -6.553 4.251 1.00 0.32 O ATOM 70 CB GLN A 5 -15.804 -5.394 6.233 1.00 0.41 C ATOM 71 CG GLN A 5 -16.774 -4.577 7.071 1.00 0.72 C ATOM 72 CD GLN A 5 -16.077 -3.500 7.882 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.915 -3.644 8.266 1.00 1.33 O ATOM 74 NE2 GLN A 5 -16.785 -2.419 8.164 1.00 1.39 N ATOM 0 H GLN A 5 -16.510 -5.080 3.693 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.729 -3.656 5.570 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.346 -6.217 5.768 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -15.056 -5.837 6.891 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -17.513 -4.114 6.417 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -17.316 -5.241 7.745 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -17.745 -2.336 7.828 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -16.371 -1.668 8.717 1.00 1.39 H new ATOM 83 N VAL A 6 -12.756 -4.738 4.529 1.00 0.32 N ATOM 84 CA VAL A 6 -11.534 -5.429 4.153 1.00 0.34 C ATOM 85 C VAL A 6 -11.078 -6.304 5.315 1.00 0.38 C ATOM 86 O VAL A 6 -10.594 -5.808 6.330 1.00 0.60 O ATOM 87 CB VAL A 6 -10.410 -4.442 3.755 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.141 -5.192 3.379 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.860 -3.542 2.607 1.00 1.32 C ATOM 0 H VAL A 6 -12.641 -3.742 4.716 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.745 -6.046 3.279 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.193 -3.813 4.618 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.365 -4.478 3.103 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.803 -5.785 4.229 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.344 -5.851 2.535 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -10.054 -2.857 2.344 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -11.112 -4.155 1.741 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.736 -2.971 2.914 1.00 1.32 H new ATOM 99 N ASN A 7 -11.266 -7.605 5.163 1.00 0.32 N ATOM 100 CA ASN A 7 -11.006 -8.553 6.241 1.00 0.36 C ATOM 101 C ASN A 7 -9.638 -9.194 6.091 1.00 0.37 C ATOM 102 O ASN A 7 -8.795 -9.099 6.983 1.00 0.46 O ATOM 103 CB ASN A 7 -12.084 -9.644 6.272 1.00 0.37 C ATOM 104 CG ASN A 7 -13.362 -9.197 6.960 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.506 -9.342 8.170 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.300 -8.660 6.196 1.00 0.53 N ATOM 0 H ASN A 7 -11.600 -8.033 4.299 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.029 -7.998 7.179 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.315 -9.948 5.251 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.690 -10.522 6.784 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.179 -8.350 6.610 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.144 -8.556 5.193 1.00 0.53 H new ATOM 113 N ASN A 8 -9.417 -9.846 4.962 1.00 0.33 N ATOM 114 CA ASN A 8 -8.166 -10.565 4.743 1.00 0.39 C ATOM 115 C ASN A 8 -7.228 -9.741 3.878 1.00 0.39 C ATOM 116 O ASN A 8 -7.546 -9.424 2.734 1.00 0.48 O ATOM 117 CB ASN A 8 -8.416 -11.924 4.083 1.00 0.44 C ATOM 118 CG ASN A 8 -7.136 -12.717 3.863 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.964 -13.360 2.829 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.245 -12.719 4.847 1.00 1.47 N ATOM 0 H ASN A 8 -10.079 -9.895 4.187 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.705 -10.734 5.716 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -9.096 -12.506 4.706 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.913 -11.772 3.125 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.388 -13.265 4.758 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.417 -12.175 5.692 1.00 1.47 H new ATOM 127 N VAL A 9 -6.082 -9.387 4.427 1.00 0.42 N ATOM 128 CA VAL A 9 -5.100 -8.623 3.685 1.00 0.45 C ATOM 129 C VAL A 9 -3.721 -9.284 3.777 1.00 0.50 C ATOM 130 O VAL A 9 -3.054 -9.255 4.813 1.00 0.60 O ATOM 131 CB VAL A 9 -5.064 -7.147 4.156 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.746 -7.031 5.642 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.080 -6.345 3.323 1.00 1.01 C ATOM 0 H VAL A 9 -5.809 -9.616 5.383 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.394 -8.615 2.635 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.061 -6.731 4.010 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.731 -5.980 5.930 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.508 -7.554 6.219 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.771 -7.476 5.841 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.069 -5.311 3.668 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.083 -6.773 3.426 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.381 -6.374 2.276 1.00 1.01 H new ATOM 143 N VAL A 10 -3.318 -9.923 2.690 1.00 0.52 N ATOM 144 CA VAL A 10 -2.066 -10.652 2.648 1.00 0.61 C ATOM 145 C VAL A 10 -1.064 -9.956 1.733 1.00 0.47 C ATOM 146 O VAL A 10 -1.412 -9.519 0.641 1.00 0.48 O ATOM 147 CB VAL A 10 -2.294 -12.097 2.154 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.976 -12.834 2.013 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.232 -12.848 3.089 1.00 1.24 C ATOM 0 H VAL A 10 -3.848 -9.950 1.819 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.663 -10.679 3.660 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.762 -12.046 1.171 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.163 -13.850 1.664 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.343 -12.314 1.294 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.474 -12.869 2.980 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.377 -13.863 2.720 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.798 -12.884 4.088 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.193 -12.335 3.129 1.00 1.24 H new ATOM 159 N VAL A 11 0.176 -9.851 2.186 1.00 0.44 N ATOM 160 CA VAL A 11 1.233 -9.260 1.383 1.00 0.39 C ATOM 161 C VAL A 11 2.171 -10.350 0.882 1.00 0.41 C ATOM 162 O VAL A 11 2.740 -11.096 1.678 1.00 0.52 O ATOM 163 CB VAL A 11 2.046 -8.229 2.192 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.035 -7.502 1.295 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.127 -7.240 2.887 1.00 0.91 C ATOM 0 H VAL A 11 0.475 -10.169 3.108 1.00 0.44 H new ATOM 0 HA VAL A 11 0.765 -8.749 0.541 1.00 0.39 H new ATOM 0 HB VAL A 11 2.607 -8.766 2.957 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.598 -6.779 1.885 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.722 -8.223 0.852 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.495 -6.982 0.504 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.724 -6.523 3.451 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.532 -6.711 2.142 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.464 -7.775 3.567 1.00 0.91 H new ATOM 175 N LEU A 12 2.327 -10.451 -0.429 1.00 0.40 N ATOM 176 CA LEU A 12 3.186 -11.478 -1.004 1.00 0.45 C ATOM 177 C LEU A 12 4.485 -10.854 -1.477 1.00 0.57 C ATOM 178 O LEU A 12 4.542 -9.649 -1.731 1.00 1.18 O ATOM 179 CB LEU A 12 2.520 -12.195 -2.186 1.00 0.50 C ATOM 180 CG LEU A 12 1.023 -12.472 -2.059 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.230 -11.262 -2.517 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.640 -13.700 -2.868 1.00 1.16 C ATOM 0 H LEU A 12 1.875 -9.841 -1.111 1.00 0.40 H new ATOM 0 HA LEU A 12 3.376 -12.215 -0.223 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.681 -11.597 -3.083 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.031 -13.145 -2.340 1.00 0.50 H new ATOM 0 HG LEU A 12 0.789 -12.667 -1.012 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.836 -11.469 -2.423 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.489 -10.402 -1.899 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.467 -11.045 -3.559 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.430 -13.883 -2.767 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.882 -13.534 -3.918 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.193 -14.565 -2.501 1.00 1.16 H new ATOM 194 N ASP A 13 5.519 -11.685 -1.580 1.00 0.84 N ATOM 195 CA ASP A 13 6.841 -11.248 -2.015 1.00 1.01 C ATOM 196 C ASP A 13 7.418 -10.279 -0.997 1.00 0.85 C ATOM 197 O ASP A 13 8.205 -9.386 -1.307 1.00 1.01 O ATOM 198 CB ASP A 13 6.789 -10.645 -3.418 1.00 1.29 C ATOM 199 CG ASP A 13 7.318 -11.605 -4.471 1.00 2.15 C ATOM 200 OD1 ASP A 13 8.544 -11.609 -4.728 1.00 2.57 O ATOM 201 OD2 ASP A 13 6.518 -12.381 -5.039 1.00 2.73 O ATOM 0 H ASP A 13 5.463 -12.680 -1.364 1.00 0.84 H new ATOM 0 HA ASP A 13 7.502 -12.113 -2.074 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.761 -10.374 -3.658 1.00 1.29 H new ATOM 0 HB3 ASP A 13 7.374 -9.726 -3.439 1.00 1.29 H new ATOM 206 N ASN A 14 6.970 -10.466 0.228 1.00 0.68 N ATOM 207 CA ASN A 14 7.548 -9.824 1.389 1.00 0.63 C ATOM 208 C ASN A 14 8.236 -10.871 2.266 1.00 0.57 C ATOM 209 O ASN A 14 7.619 -11.878 2.622 1.00 0.67 O ATOM 210 CB ASN A 14 6.440 -9.138 2.183 1.00 0.78 C ATOM 211 CG ASN A 14 6.917 -8.603 3.515 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.047 -8.141 3.648 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.057 -8.679 4.516 1.00 1.40 N ATOM 0 H ASN A 14 6.183 -11.077 0.447 1.00 0.68 H new ATOM 0 HA ASN A 14 8.284 -9.085 1.072 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.031 -8.318 1.593 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.628 -9.846 2.351 1.00 0.78 H new ATOM 0 HD21 ASN A 14 6.323 -8.346 5.443 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.128 -9.070 4.361 1.00 1.40 H new ATOM 220 N PRO A 15 9.523 -10.678 2.605 1.00 0.51 N ATOM 221 CA PRO A 15 10.338 -9.568 2.123 1.00 0.45 C ATOM 222 C PRO A 15 11.118 -9.925 0.861 1.00 0.44 C ATOM 223 O PRO A 15 11.622 -11.042 0.721 1.00 0.48 O ATOM 224 CB PRO A 15 11.284 -9.331 3.296 1.00 0.48 C ATOM 225 CG PRO A 15 11.472 -10.675 3.925 1.00 0.57 C ATOM 226 CD PRO A 15 10.286 -11.529 3.532 1.00 0.60 C ATOM 0 HA PRO A 15 9.745 -8.698 1.841 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.234 -8.918 2.958 1.00 0.48 H new ATOM 0 HB3 PRO A 15 10.861 -8.620 4.006 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.402 -11.131 3.586 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.538 -10.585 5.009 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.603 -12.456 3.053 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.689 -11.807 4.401 1.00 0.60 H new ATOM 234 N SER A 16 11.200 -8.985 -0.064 1.00 0.42 N ATOM 235 CA SER A 16 11.856 -9.233 -1.349 1.00 0.47 C ATOM 236 C SER A 16 12.381 -7.934 -1.963 1.00 0.45 C ATOM 237 O SER A 16 12.049 -6.847 -1.483 1.00 0.43 O ATOM 238 CB SER A 16 10.889 -9.947 -2.301 1.00 0.59 C ATOM 239 OG SER A 16 10.589 -11.250 -1.823 1.00 0.77 O ATOM 0 H SER A 16 10.824 -8.043 0.044 1.00 0.42 H new ATOM 0 HA SER A 16 12.717 -9.880 -1.180 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.970 -9.368 -2.396 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.330 -10.011 -3.296 1.00 0.59 H new ATOM 0 HG SER A 16 11.028 -11.390 -0.958 1.00 0.77 H new ATOM 245 N PRO A 17 13.221 -8.027 -3.021 1.00 0.52 N ATOM 246 CA PRO A 17 13.823 -6.859 -3.675 1.00 0.52 C ATOM 247 C PRO A 17 12.800 -5.817 -4.127 1.00 0.48 C ATOM 248 O PRO A 17 11.626 -6.121 -4.368 1.00 0.58 O ATOM 249 CB PRO A 17 14.559 -7.444 -4.891 1.00 0.60 C ATOM 250 CG PRO A 17 14.042 -8.833 -5.039 1.00 0.83 C ATOM 251 CD PRO A 17 13.665 -9.278 -3.660 1.00 0.63 C ATOM 0 HA PRO A 17 14.472 -6.324 -2.982 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.365 -6.855 -5.788 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.638 -7.441 -4.735 1.00 0.60 H new ATOM 0 HG2 PRO A 17 13.182 -8.861 -5.708 1.00 0.83 H new ATOM 0 HG3 PRO A 17 14.800 -9.489 -5.468 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.872 -10.025 -3.679 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.510 -9.723 -3.134 1.00 0.63 H new ATOM 259 N PHE A 18 13.280 -4.587 -4.253 1.00 0.41 N ATOM 260 CA PHE A 18 12.456 -3.437 -4.593 1.00 0.37 C ATOM 261 C PHE A 18 11.832 -3.543 -5.987 1.00 0.36 C ATOM 262 O PHE A 18 10.750 -3.008 -6.224 1.00 0.37 O ATOM 263 CB PHE A 18 13.310 -2.169 -4.479 1.00 0.38 C ATOM 264 CG PHE A 18 12.773 -0.991 -5.237 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.812 -0.175 -4.663 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.224 -0.696 -6.511 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.309 0.910 -5.342 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.723 0.391 -7.199 1.00 0.36 C ATOM 269 CZ PHE A 18 11.797 1.177 -6.663 1.00 0.37 C ATOM 0 H PHE A 18 14.265 -4.358 -4.120 1.00 0.41 H new ATOM 0 HA PHE A 18 11.623 -3.399 -3.892 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.399 -1.899 -3.427 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.315 -2.389 -4.838 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.453 -0.394 -3.668 1.00 0.35 H new ATOM 0 HD2 PHE A 18 13.975 -1.321 -6.971 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.563 1.547 -4.890 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.091 0.606 -8.191 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.412 2.017 -7.222 1.00 0.37 H new ATOM 279 N TYR A 19 12.494 -4.237 -6.902 1.00 0.38 N ATOM 280 CA TYR A 19 12.025 -4.283 -8.284 1.00 0.41 C ATOM 281 C TYR A 19 10.888 -5.283 -8.471 1.00 0.44 C ATOM 282 O TYR A 19 10.435 -5.513 -9.593 1.00 0.52 O ATOM 283 CB TYR A 19 13.172 -4.586 -9.247 1.00 0.45 C ATOM 284 CG TYR A 19 14.022 -3.373 -9.555 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.614 -2.441 -10.505 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.221 -3.152 -8.895 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.382 -1.326 -10.787 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.991 -2.039 -9.170 1.00 0.64 C ATOM 289 CZ TYR A 19 15.570 -1.130 -10.116 1.00 0.57 C ATOM 290 OH TYR A 19 16.339 -0.018 -10.388 1.00 0.65 O ATOM 0 H TYR A 19 13.345 -4.769 -6.719 1.00 0.38 H new ATOM 0 HA TYR A 19 11.632 -3.293 -8.517 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.802 -5.365 -8.819 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.763 -4.982 -10.177 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.682 -2.591 -11.030 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.558 -3.862 -8.154 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.053 -0.613 -11.529 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.921 -1.881 -8.645 1.00 0.64 H new ATOM 0 HH TYR A 19 17.143 -0.031 -9.828 1.00 0.65 H new ATOM 300 N ASN A 20 10.424 -5.868 -7.380 1.00 0.44 N ATOM 301 CA ASN A 20 9.259 -6.732 -7.429 1.00 0.48 C ATOM 302 C ASN A 20 8.024 -5.915 -7.045 1.00 0.42 C ATOM 303 O ASN A 20 8.128 -4.972 -6.265 1.00 0.52 O ATOM 304 CB ASN A 20 9.458 -7.952 -6.514 1.00 0.61 C ATOM 305 CG ASN A 20 8.498 -8.009 -5.342 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.386 -8.508 -5.464 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.936 -7.522 -4.191 1.00 0.69 N ATOM 0 H ASN A 20 10.835 -5.760 -6.453 1.00 0.44 H new ATOM 0 HA ASN A 20 9.116 -7.118 -8.438 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.345 -8.860 -7.107 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.479 -7.945 -6.133 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.340 -7.554 -3.364 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.869 -7.115 -4.132 1.00 0.69 H new ATOM 314 N PRO A 21 6.852 -6.228 -7.610 1.00 0.41 N ATOM 315 CA PRO A 21 5.634 -5.449 -7.372 1.00 0.38 C ATOM 316 C PRO A 21 5.121 -5.566 -5.936 1.00 0.35 C ATOM 317 O PRO A 21 5.367 -6.556 -5.253 1.00 0.42 O ATOM 318 CB PRO A 21 4.609 -6.055 -8.343 1.00 0.44 C ATOM 319 CG PRO A 21 5.392 -6.917 -9.275 1.00 0.62 C ATOM 320 CD PRO A 21 6.611 -7.356 -8.517 1.00 0.57 C ATOM 0 HA PRO A 21 5.816 -4.385 -7.525 1.00 0.38 H new ATOM 0 HB2 PRO A 21 3.860 -6.638 -7.807 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.076 -5.275 -8.887 1.00 0.44 H new ATOM 0 HG2 PRO A 21 4.804 -7.776 -9.597 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.670 -6.366 -10.174 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.436 -8.284 -7.972 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.459 -7.531 -9.180 1.00 0.57 H new ATOM 328 N PHE A 22 4.438 -4.531 -5.469 1.00 0.33 N ATOM 329 CA PHE A 22 3.716 -4.610 -4.210 1.00 0.34 C ATOM 330 C PHE A 22 2.504 -5.511 -4.383 1.00 0.33 C ATOM 331 O PHE A 22 1.493 -5.101 -4.952 1.00 0.41 O ATOM 332 CB PHE A 22 3.279 -3.221 -3.730 1.00 0.37 C ATOM 333 CG PHE A 22 4.373 -2.430 -3.072 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.771 -2.727 -1.779 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.993 -1.385 -3.739 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.769 -1.998 -1.164 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.992 -0.655 -3.128 1.00 0.57 C ATOM 338 CZ PHE A 22 6.381 -0.962 -1.839 1.00 0.58 C ATOM 0 H PHE A 22 4.369 -3.630 -5.942 1.00 0.33 H new ATOM 0 HA PHE A 22 4.380 -5.027 -3.453 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.898 -2.657 -4.581 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.453 -3.334 -3.027 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.296 -3.537 -1.246 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.691 -1.140 -4.747 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.070 -2.238 -0.155 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.469 0.156 -3.658 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.163 -0.392 -1.360 1.00 0.58 H new ATOM 348 N GLN A 23 2.631 -6.749 -3.930 1.00 0.31 N ATOM 349 CA GLN A 23 1.582 -7.737 -4.106 1.00 0.34 C ATOM 350 C GLN A 23 0.684 -7.792 -2.879 1.00 0.33 C ATOM 351 O GLN A 23 1.122 -8.187 -1.796 1.00 0.38 O ATOM 352 CB GLN A 23 2.183 -9.123 -4.365 1.00 0.45 C ATOM 353 CG GLN A 23 3.258 -9.137 -5.436 1.00 0.97 C ATOM 354 CD GLN A 23 3.501 -10.519 -6.012 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.837 -10.664 -7.188 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.343 -11.545 -5.193 1.00 1.13 N ATOM 0 H GLN A 23 3.455 -7.093 -3.436 1.00 0.31 H new ATOM 0 HA GLN A 23 0.985 -7.441 -4.969 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.605 -9.505 -3.435 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.385 -9.806 -4.656 1.00 0.45 H new ATOM 0 HG2 GLN A 23 2.971 -8.459 -6.240 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.188 -8.756 -5.015 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.064 -11.386 -4.225 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.500 -12.495 -5.529 1.00 1.13 H new ATOM 365 N PHE A 24 -0.562 -7.384 -3.049 1.00 0.31 N ATOM 366 CA PHE A 24 -1.535 -7.439 -1.972 1.00 0.33 C ATOM 367 C PHE A 24 -2.738 -8.292 -2.366 1.00 0.36 C ATOM 368 O PHE A 24 -3.344 -8.084 -3.412 1.00 0.50 O ATOM 369 CB PHE A 24 -2.017 -6.035 -1.603 1.00 0.31 C ATOM 370 CG PHE A 24 -0.957 -5.153 -1.012 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.625 -5.258 0.326 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.308 -4.209 -1.788 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.334 -4.436 0.882 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.655 -3.384 -1.239 1.00 0.32 C ATOM 375 CZ PHE A 24 0.977 -3.496 0.099 1.00 0.30 C ATOM 0 H PHE A 24 -0.924 -7.010 -3.926 1.00 0.31 H new ATOM 0 HA PHE A 24 -1.043 -7.890 -1.110 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.416 -5.554 -2.496 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.839 -6.121 -0.893 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.122 -5.992 0.943 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.557 -4.116 -2.835 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.582 -4.527 1.929 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.155 -2.652 -1.856 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.728 -2.852 0.532 1.00 0.30 H new ATOM 385 N GLU A 25 -3.078 -9.247 -1.523 1.00 0.31 N ATOM 386 CA GLU A 25 -4.287 -10.032 -1.715 1.00 0.34 C ATOM 387 C GLU A 25 -5.385 -9.436 -0.860 1.00 0.32 C ATOM 388 O GLU A 25 -5.478 -9.714 0.337 1.00 0.35 O ATOM 389 CB GLU A 25 -4.074 -11.505 -1.356 1.00 0.43 C ATOM 390 CG GLU A 25 -3.069 -12.210 -2.246 1.00 0.97 C ATOM 391 CD GLU A 25 -3.004 -13.699 -1.980 1.00 1.43 C ATOM 392 OE1 GLU A 25 -2.570 -14.093 -0.878 1.00 1.72 O ATOM 393 OE2 GLU A 25 -3.384 -14.481 -2.873 1.00 1.98 O ATOM 0 H GLU A 25 -2.535 -9.500 -0.697 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.564 -10.000 -2.769 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.740 -11.573 -0.321 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -5.029 -12.027 -1.417 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.332 -12.042 -3.290 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -2.082 -11.773 -2.092 1.00 0.97 H new ATOM 400 N ILE A 26 -6.184 -8.583 -1.470 1.00 0.30 N ATOM 401 CA ILE A 26 -7.175 -7.817 -0.740 1.00 0.30 C ATOM 402 C ILE A 26 -8.529 -8.506 -0.759 1.00 0.29 C ATOM 403 O ILE A 26 -9.190 -8.585 -1.796 1.00 0.32 O ATOM 404 CB ILE A 26 -7.303 -6.396 -1.324 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.956 -5.669 -1.241 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.385 -5.605 -0.596 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.932 -4.341 -1.968 1.00 0.29 C ATOM 0 H ILE A 26 -6.166 -8.402 -2.474 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.839 -7.747 0.295 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.593 -6.478 -2.371 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.707 -5.503 -0.193 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.180 -6.313 -1.655 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.457 -4.606 -1.026 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.342 -6.115 -0.702 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -8.130 -5.528 0.461 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.946 -3.887 -1.864 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.148 -4.501 -3.024 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.684 -3.678 -1.540 1.00 0.29 H new ATOM 419 N THR A 27 -8.921 -9.021 0.390 1.00 0.31 N ATOM 420 CA THR A 27 -10.213 -9.653 0.542 1.00 0.30 C ATOM 421 C THR A 27 -11.150 -8.741 1.316 1.00 0.27 C ATOM 422 O THR A 27 -11.020 -8.574 2.533 1.00 0.29 O ATOM 423 CB THR A 27 -10.080 -10.999 1.276 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.045 -11.776 0.665 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.387 -11.775 1.246 1.00 0.34 C ATOM 0 H THR A 27 -8.355 -9.013 1.239 1.00 0.31 H new ATOM 0 HA THR A 27 -10.622 -9.836 -0.451 1.00 0.30 H new ATOM 0 HB THR A 27 -9.829 -10.798 2.317 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.172 -11.466 0.984 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.261 -12.721 1.773 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.168 -11.191 1.732 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.670 -11.971 0.212 1.00 0.34 H new ATOM 433 N PHE A 28 -12.092 -8.152 0.605 1.00 0.23 N ATOM 434 CA PHE A 28 -13.032 -7.233 1.197 1.00 0.22 C ATOM 435 C PHE A 28 -14.442 -7.749 0.987 1.00 0.21 C ATOM 436 O PHE A 28 -14.763 -8.288 -0.072 1.00 0.20 O ATOM 437 CB PHE A 28 -12.871 -5.838 0.586 1.00 0.21 C ATOM 438 CG PHE A 28 -13.222 -5.767 -0.873 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.353 -6.252 -1.837 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.421 -5.213 -1.276 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.681 -6.184 -3.177 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.752 -5.142 -2.610 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.882 -5.628 -3.565 1.00 0.28 C ATOM 0 H PHE A 28 -12.223 -8.299 -0.396 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.837 -7.158 2.267 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.500 -5.137 1.135 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.839 -5.512 0.718 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.411 -6.687 -1.538 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -15.108 -4.831 -0.535 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.997 -6.566 -3.921 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.693 -4.706 -2.910 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.141 -5.573 -4.612 1.00 0.28 H new ATOM 453 N GLU A 29 -15.271 -7.604 1.992 1.00 0.22 N ATOM 454 CA GLU A 29 -16.618 -8.116 1.925 1.00 0.23 C ATOM 455 C GLU A 29 -17.618 -6.987 1.750 1.00 0.25 C ATOM 456 O GLU A 29 -17.711 -6.088 2.589 1.00 0.29 O ATOM 457 CB GLU A 29 -16.937 -8.921 3.178 1.00 0.26 C ATOM 458 CG GLU A 29 -18.321 -9.543 3.152 1.00 0.33 C ATOM 459 CD GLU A 29 -18.613 -10.359 4.387 1.00 0.41 C ATOM 460 OE1 GLU A 29 -19.027 -9.774 5.407 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.424 -11.588 4.344 1.00 0.67 O ATOM 0 H GLU A 29 -15.036 -7.135 2.867 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.694 -8.772 1.058 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -16.193 -9.709 3.295 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.853 -8.272 4.050 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -19.068 -8.755 3.057 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.414 -10.178 2.271 1.00 0.33 H new ATOM 468 N CYS A 30 -18.340 -7.029 0.642 1.00 0.24 N ATOM 469 CA CYS A 30 -19.415 -6.089 0.396 1.00 0.28 C ATOM 470 C CYS A 30 -20.677 -6.581 1.086 1.00 0.33 C ATOM 471 O CYS A 30 -21.141 -7.687 0.832 1.00 0.35 O ATOM 472 CB CYS A 30 -19.656 -5.936 -1.105 1.00 0.29 C ATOM 473 SG CYS A 30 -18.175 -5.495 -2.041 1.00 0.51 S ATOM 0 H CYS A 30 -18.198 -7.710 -0.104 1.00 0.24 H new ATOM 0 HA CYS A 30 -19.140 -5.114 0.797 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -20.056 -6.871 -1.496 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.417 -5.172 -1.265 1.00 0.29 H new ATOM 0 HG CYS A 30 -17.127 -5.634 -1.285 1.00 0.51 H new ATOM 479 N ILE A 31 -21.218 -5.770 1.968 1.00 0.39 N ATOM 480 CA ILE A 31 -22.384 -6.161 2.734 1.00 0.45 C ATOM 481 C ILE A 31 -23.650 -5.919 1.921 1.00 0.48 C ATOM 482 O ILE A 31 -24.659 -6.603 2.090 1.00 0.53 O ATOM 483 CB ILE A 31 -22.452 -5.389 4.064 1.00 0.49 C ATOM 484 CG1 ILE A 31 -21.053 -5.284 4.683 1.00 0.46 C ATOM 485 CG2 ILE A 31 -23.406 -6.080 5.023 1.00 0.57 C ATOM 486 CD1 ILE A 31 -21.040 -4.621 6.043 1.00 0.52 C ATOM 0 H ILE A 31 -20.870 -4.834 2.174 1.00 0.39 H new ATOM 0 HA ILE A 31 -22.304 -7.224 2.961 1.00 0.45 H new ATOM 0 HB ILE A 31 -22.824 -4.383 3.870 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.628 -6.284 4.772 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -20.408 -4.722 4.008 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -23.446 -5.525 5.960 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -24.402 -6.118 4.581 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -23.056 -7.094 5.217 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -20.018 -4.582 6.419 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -21.435 -3.608 5.958 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -21.659 -5.195 6.733 1.00 0.52 H new ATOM 498 N GLU A 32 -23.573 -4.951 1.023 1.00 0.49 N ATOM 499 CA GLU A 32 -24.659 -4.655 0.104 1.00 0.53 C ATOM 500 C GLU A 32 -24.125 -4.676 -1.318 1.00 0.52 C ATOM 501 O GLU A 32 -22.911 -4.632 -1.519 1.00 0.51 O ATOM 502 CB GLU A 32 -25.271 -3.286 0.412 1.00 0.60 C ATOM 503 CG GLU A 32 -25.937 -3.211 1.774 1.00 0.84 C ATOM 504 CD GLU A 32 -26.484 -1.837 2.089 1.00 1.25 C ATOM 505 OE1 GLU A 32 -27.562 -1.480 1.568 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.848 -1.109 2.879 1.00 1.83 O ATOM 0 H GLU A 32 -22.757 -4.349 0.911 1.00 0.49 H new ATOM 0 HA GLU A 32 -25.438 -5.409 0.218 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -24.490 -2.527 0.356 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -26.006 -3.044 -0.356 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.748 -3.938 1.816 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -25.216 -3.494 2.541 1.00 0.84 H new ATOM 513 N ASP A 33 -25.012 -4.752 -2.300 1.00 0.62 N ATOM 514 CA ASP A 33 -24.575 -4.723 -3.688 1.00 0.65 C ATOM 515 C ASP A 33 -24.305 -3.286 -4.085 1.00 0.65 C ATOM 516 O ASP A 33 -25.189 -2.429 -4.045 1.00 0.79 O ATOM 517 CB ASP A 33 -25.566 -5.406 -4.648 1.00 0.76 C ATOM 518 CG ASP A 33 -26.936 -4.761 -4.712 1.00 1.44 C ATOM 519 OD1 ASP A 33 -27.756 -5.003 -3.802 1.00 2.18 O ATOM 520 OD2 ASP A 33 -27.175 -3.964 -5.645 1.00 2.01 O ATOM 0 H ASP A 33 -26.020 -4.833 -2.166 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.657 -5.305 -3.770 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.135 -5.411 -5.649 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.684 -6.447 -4.346 1.00 0.76 H new ATOM 525 N LEU A 34 -23.067 -3.035 -4.444 1.00 0.57 N ATOM 526 CA LEU A 34 -22.563 -1.688 -4.572 1.00 0.57 C ATOM 527 C LEU A 34 -22.502 -1.287 -6.039 1.00 0.64 C ATOM 528 O LEU A 34 -21.951 -2.015 -6.864 1.00 0.71 O ATOM 529 CB LEU A 34 -21.178 -1.657 -3.928 1.00 0.55 C ATOM 530 CG LEU A 34 -20.789 -0.376 -3.213 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.917 -0.710 -2.011 1.00 1.52 C ATOM 532 CD2 LEU A 34 -20.054 0.539 -4.168 1.00 1.41 C ATOM 0 H LEU A 34 -22.381 -3.760 -4.656 1.00 0.57 H new ATOM 0 HA LEU A 34 -23.220 -0.975 -4.074 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -21.116 -2.478 -3.214 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.437 -1.853 -4.703 1.00 0.55 H new ATOM 0 HG LEU A 34 -21.685 0.137 -2.864 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.638 0.210 -1.497 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -20.471 -1.353 -1.327 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.017 -1.226 -2.346 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -19.777 1.458 -3.651 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -19.155 0.041 -4.530 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -20.701 0.779 -5.012 1.00 1.41 H new ATOM 544 N SER A 35 -23.061 -0.131 -6.355 1.00 0.75 N ATOM 545 CA SER A 35 -23.114 0.338 -7.731 1.00 0.89 C ATOM 546 C SER A 35 -21.907 1.206 -8.055 1.00 0.75 C ATOM 547 O SER A 35 -21.356 1.135 -9.155 1.00 0.92 O ATOM 548 CB SER A 35 -24.403 1.127 -7.960 1.00 1.14 C ATOM 549 OG SER A 35 -25.525 0.402 -7.493 1.00 1.55 O ATOM 0 H SER A 35 -23.485 0.502 -5.677 1.00 0.75 H new ATOM 0 HA SER A 35 -23.099 -0.528 -8.392 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.344 2.086 -7.445 1.00 1.14 H new ATOM 0 HB3 SER A 35 -24.519 1.342 -9.022 1.00 1.14 H new ATOM 0 HG SER A 35 -26.340 0.925 -7.647 1.00 1.55 H new ATOM 555 N GLU A 36 -21.495 2.009 -7.083 1.00 0.61 N ATOM 556 CA GLU A 36 -20.381 2.924 -7.261 1.00 0.51 C ATOM 557 C GLU A 36 -19.068 2.152 -7.351 1.00 0.44 C ATOM 558 O GLU A 36 -19.020 0.951 -7.075 1.00 0.53 O ATOM 559 CB GLU A 36 -20.328 3.934 -6.105 1.00 0.63 C ATOM 560 CG GLU A 36 -21.439 4.987 -6.124 1.00 1.48 C ATOM 561 CD GLU A 36 -22.837 4.406 -5.990 1.00 2.16 C ATOM 562 OE1 GLU A 36 -23.301 4.202 -4.847 1.00 2.95 O ATOM 563 OE2 GLU A 36 -23.484 4.159 -7.028 1.00 2.46 O ATOM 0 H GLU A 36 -21.921 2.043 -6.157 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.527 3.470 -8.193 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.378 3.389 -5.162 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.364 4.442 -6.128 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.270 5.694 -5.312 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -21.377 5.550 -7.055 1.00 1.48 H new ATOM 570 N ASP A 37 -18.012 2.838 -7.745 1.00 0.37 N ATOM 571 CA ASP A 37 -16.710 2.209 -7.884 1.00 0.36 C ATOM 572 C ASP A 37 -15.924 2.315 -6.588 1.00 0.35 C ATOM 573 O ASP A 37 -16.065 3.282 -5.836 1.00 0.50 O ATOM 574 CB ASP A 37 -15.914 2.855 -9.021 1.00 0.49 C ATOM 575 CG ASP A 37 -15.575 4.308 -8.744 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.486 5.158 -8.823 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.403 4.608 -8.443 1.00 1.88 O ATOM 0 H ASP A 37 -18.029 3.832 -7.975 1.00 0.37 H new ATOM 0 HA ASP A 37 -16.870 1.157 -8.118 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -14.993 2.294 -9.179 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.489 2.790 -9.945 1.00 0.49 H new ATOM 582 N LEU A 38 -15.126 1.302 -6.318 1.00 0.30 N ATOM 583 CA LEU A 38 -14.209 1.337 -5.193 1.00 0.31 C ATOM 584 C LEU A 38 -12.848 1.814 -5.661 1.00 0.28 C ATOM 585 O LEU A 38 -12.258 1.219 -6.561 1.00 0.29 O ATOM 586 CB LEU A 38 -14.080 -0.044 -4.550 1.00 0.39 C ATOM 587 CG LEU A 38 -14.756 -0.206 -3.189 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.204 0.805 -2.196 1.00 1.06 C ATOM 589 CD2 LEU A 38 -16.266 -0.064 -3.313 1.00 1.32 C ATOM 0 H LEU A 38 -15.093 0.441 -6.863 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.603 2.027 -4.447 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -14.498 -0.783 -5.233 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.021 -0.276 -4.439 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.539 -1.208 -2.819 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.697 0.675 -1.232 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -13.131 0.651 -2.079 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -14.388 1.814 -2.564 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -16.724 -0.183 -2.331 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -16.507 0.922 -3.709 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.649 -0.829 -3.988 1.00 1.32 H new ATOM 601 N GLU A 39 -12.358 2.888 -5.061 1.00 0.30 N ATOM 602 CA GLU A 39 -11.071 3.440 -5.438 1.00 0.32 C ATOM 603 C GLU A 39 -9.976 2.907 -4.522 1.00 0.31 C ATOM 604 O GLU A 39 -9.721 3.455 -3.450 1.00 0.43 O ATOM 605 CB GLU A 39 -11.119 4.971 -5.398 1.00 0.42 C ATOM 606 CG GLU A 39 -9.841 5.644 -5.877 1.00 0.50 C ATOM 607 CD GLU A 39 -9.970 7.152 -5.941 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.698 7.652 -6.820 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.341 7.846 -5.115 1.00 0.73 O ATOM 0 H GLU A 39 -12.833 3.392 -4.312 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.841 3.131 -6.458 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.951 5.314 -6.013 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.325 5.291 -4.377 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.022 5.380 -5.208 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.581 5.262 -6.864 1.00 0.50 H new ATOM 616 N TRP A 40 -9.360 1.813 -4.933 1.00 0.24 N ATOM 617 CA TRP A 40 -8.253 1.242 -4.186 1.00 0.23 C ATOM 618 C TRP A 40 -6.945 1.858 -4.666 1.00 0.24 C ATOM 619 O TRP A 40 -6.518 1.605 -5.787 1.00 0.28 O ATOM 620 CB TRP A 40 -8.196 -0.280 -4.380 1.00 0.24 C ATOM 621 CG TRP A 40 -9.492 -0.993 -4.113 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.447 -1.327 -5.029 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.965 -1.478 -2.853 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.477 -1.992 -4.420 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.211 -2.091 -3.083 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.456 -1.454 -1.555 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.954 -2.670 -2.061 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -10.197 -2.029 -0.540 1.00 0.43 C ATOM 629 CH2 TRP A 40 -11.433 -2.632 -0.799 1.00 0.40 C ATOM 0 H TRP A 40 -9.607 1.302 -5.780 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.401 1.457 -3.128 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -7.884 -0.491 -5.403 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.429 -0.689 -3.722 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.397 -1.099 -6.084 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.308 -2.355 -4.888 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.501 -0.995 -1.347 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.909 -3.134 -2.258 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -9.816 -2.013 0.470 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.986 -3.076 0.015 1.00 0.40 H new ATOM 640 N LYS A 41 -6.318 2.674 -3.839 1.00 0.25 N ATOM 641 CA LYS A 41 -5.043 3.276 -4.207 1.00 0.25 C ATOM 642 C LYS A 41 -3.916 2.742 -3.348 1.00 0.23 C ATOM 643 O LYS A 41 -4.087 2.522 -2.153 1.00 0.27 O ATOM 644 CB LYS A 41 -5.081 4.796 -4.058 1.00 0.37 C ATOM 645 CG LYS A 41 -5.707 5.533 -5.227 1.00 0.63 C ATOM 646 CD LYS A 41 -5.698 7.030 -4.980 1.00 0.65 C ATOM 647 CE LYS A 41 -6.369 7.787 -6.111 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.988 9.053 -5.637 1.00 1.23 N ATOM 0 H LYS A 41 -6.664 2.935 -2.916 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.866 3.015 -5.250 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.633 5.045 -3.152 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.063 5.159 -3.921 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.160 5.306 -6.142 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.731 5.189 -5.375 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -6.209 7.248 -4.042 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.670 7.375 -4.870 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.635 8.009 -6.886 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.133 7.157 -6.567 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.131 9.693 -6.444 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.905 8.846 -5.192 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -6.361 9.507 -4.942 1.00 1.23 H new ATOM 662 N ILE A 42 -2.767 2.532 -3.962 1.00 0.22 N ATOM 663 CA ILE A 42 -1.554 2.269 -3.214 1.00 0.24 C ATOM 664 C ILE A 42 -0.676 3.506 -3.251 1.00 0.25 C ATOM 665 O ILE A 42 -0.022 3.784 -4.256 1.00 0.31 O ATOM 666 CB ILE A 42 -0.751 1.061 -3.752 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.553 -0.234 -3.607 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.583 0.943 -3.025 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.734 -1.484 -3.850 1.00 0.46 C ATOM 0 H ILE A 42 -2.649 2.539 -4.975 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.853 2.021 -2.195 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.558 1.226 -4.812 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.979 -0.278 -2.605 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.388 -0.215 -4.307 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.136 0.088 -3.415 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.164 1.852 -3.180 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.405 0.804 -1.959 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.367 -2.363 -3.730 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.330 -1.463 -4.862 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.086 -1.527 -3.133 1.00 0.46 H new ATOM 681 N ILE A 43 -0.700 4.270 -2.178 1.00 0.24 N ATOM 682 CA ILE A 43 0.134 5.446 -2.076 1.00 0.27 C ATOM 683 C ILE A 43 1.439 5.075 -1.399 1.00 0.26 C ATOM 684 O ILE A 43 1.448 4.493 -0.313 1.00 0.30 O ATOM 685 CB ILE A 43 -0.549 6.587 -1.291 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.911 6.914 -1.913 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.343 7.825 -1.280 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.681 7.981 -1.165 1.00 0.69 C ATOM 0 H ILE A 43 -1.290 4.096 -1.364 1.00 0.24 H new ATOM 0 HA ILE A 43 0.315 5.811 -3.087 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.706 6.263 -0.262 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.762 7.240 -2.942 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.511 6.005 -1.951 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.149 8.623 -0.724 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.294 7.584 -0.805 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.522 8.154 -2.304 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.634 8.159 -1.664 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.863 7.649 -0.143 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.102 8.904 -1.149 1.00 0.69 H new ATOM 700 N TYR A 44 2.532 5.378 -2.059 1.00 0.29 N ATOM 701 CA TYR A 44 3.838 5.072 -1.531 1.00 0.29 C ATOM 702 C TYR A 44 4.566 6.355 -1.163 1.00 0.28 C ATOM 703 O TYR A 44 4.680 7.273 -1.980 1.00 0.33 O ATOM 704 CB TYR A 44 4.648 4.277 -2.555 1.00 0.32 C ATOM 705 CG TYR A 44 6.001 3.834 -2.039 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.129 2.722 -1.214 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.154 4.530 -2.383 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.367 2.318 -0.748 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.393 4.132 -1.919 1.00 0.45 C ATOM 710 CZ TYR A 44 8.480 3.011 -1.082 1.00 0.49 C ATOM 711 OH TYR A 44 9.726 2.630 -0.639 1.00 0.59 O ATOM 0 H TYR A 44 2.541 5.839 -2.969 1.00 0.29 H new ATOM 0 HA TYR A 44 3.722 4.466 -0.633 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.077 3.399 -2.856 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.790 4.887 -3.447 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.248 2.165 -0.933 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.080 5.396 -3.024 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.446 1.446 -0.115 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.283 4.677 -2.197 1.00 0.45 H new ATOM 0 HH TYR A 44 10.400 3.251 -0.985 1.00 0.59 H new ATOM 721 N VAL A 45 5.042 6.415 0.071 1.00 0.27 N ATOM 722 CA VAL A 45 5.817 7.552 0.538 1.00 0.28 C ATOM 723 C VAL A 45 7.062 7.723 -0.320 1.00 0.30 C ATOM 724 O VAL A 45 7.953 6.880 -0.303 1.00 0.36 O ATOM 725 CB VAL A 45 6.239 7.373 2.014 1.00 0.32 C ATOM 726 CG1 VAL A 45 7.083 8.542 2.489 1.00 0.37 C ATOM 727 CG2 VAL A 45 5.023 7.202 2.904 1.00 0.34 C ATOM 0 H VAL A 45 4.904 5.685 0.770 1.00 0.27 H new ATOM 0 HA VAL A 45 5.188 8.439 0.459 1.00 0.28 H new ATOM 0 HB VAL A 45 6.845 6.470 2.079 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.365 8.388 3.531 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.982 8.614 1.877 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.509 9.465 2.401 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.344 7.078 3.938 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.387 8.084 2.825 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.463 6.321 2.589 1.00 0.34 H new ATOM 737 N GLY A 46 7.098 8.790 -1.098 1.00 0.32 N ATOM 738 CA GLY A 46 8.266 9.066 -1.906 1.00 0.39 C ATOM 739 C GLY A 46 9.476 9.345 -1.052 1.00 0.41 C ATOM 740 O GLY A 46 10.558 8.830 -1.309 1.00 0.47 O ATOM 0 H GLY A 46 6.342 9.469 -1.186 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.468 8.216 -2.558 1.00 0.39 H new ATOM 0 HA3 GLY A 46 8.069 9.923 -2.551 1.00 0.39 H new ATOM 744 N SER A 47 9.291 10.175 -0.037 1.00 0.43 N ATOM 745 CA SER A 47 10.335 10.442 0.920 1.00 0.48 C ATOM 746 C SER A 47 9.739 10.714 2.285 1.00 0.51 C ATOM 747 O SER A 47 8.809 11.510 2.420 1.00 0.49 O ATOM 748 CB SER A 47 11.163 11.639 0.477 1.00 0.53 C ATOM 749 OG SER A 47 12.167 11.955 1.426 1.00 1.23 O ATOM 0 H SER A 47 8.419 10.674 0.139 1.00 0.43 H new ATOM 0 HA SER A 47 10.979 9.565 0.980 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.626 11.426 -0.487 1.00 0.53 H new ATOM 0 HB3 SER A 47 10.511 12.501 0.334 1.00 0.53 H new ATOM 0 HG SER A 47 12.645 11.138 1.681 1.00 1.23 H new ATOM 755 N ALA A 48 10.261 10.037 3.288 1.00 0.62 N ATOM 756 CA ALA A 48 9.917 10.327 4.662 1.00 0.70 C ATOM 757 C ALA A 48 10.612 11.608 5.106 1.00 0.75 C ATOM 758 O ALA A 48 10.346 12.143 6.185 1.00 0.82 O ATOM 759 CB ALA A 48 10.318 9.162 5.541 1.00 0.81 C ATOM 0 H ALA A 48 10.931 9.276 3.173 1.00 0.62 H new ATOM 0 HA ALA A 48 8.840 10.472 4.750 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.058 9.381 6.577 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.792 8.264 5.217 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.393 9.000 5.463 1.00 0.81 H new ATOM 765 N GLU A 49 11.504 12.088 4.251 1.00 0.75 N ATOM 766 CA GLU A 49 12.248 13.306 4.500 1.00 0.83 C ATOM 767 C GLU A 49 11.556 14.479 3.798 1.00 0.82 C ATOM 768 O GLU A 49 11.402 15.557 4.372 1.00 0.93 O ATOM 769 CB GLU A 49 13.695 13.116 4.022 1.00 0.90 C ATOM 770 CG GLU A 49 14.652 14.218 4.436 1.00 1.06 C ATOM 771 CD GLU A 49 14.807 15.283 3.377 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.615 15.091 2.450 1.00 1.96 O ATOM 773 OE2 GLU A 49 14.118 16.319 3.471 1.00 1.99 O ATOM 0 H GLU A 49 11.730 11.639 3.363 1.00 0.75 H new ATOM 0 HA GLU A 49 12.274 13.531 5.566 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.068 12.167 4.407 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.697 13.042 2.935 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.294 14.677 5.358 1.00 1.06 H new ATOM 0 HG3 GLU A 49 15.628 13.784 4.654 1.00 1.06 H new ATOM 780 N SER A 50 11.120 14.261 2.558 1.00 0.74 N ATOM 781 CA SER A 50 10.309 15.241 1.857 1.00 0.79 C ATOM 782 C SER A 50 9.110 14.539 1.238 1.00 0.75 C ATOM 783 O SER A 50 9.197 13.986 0.142 1.00 1.26 O ATOM 784 CB SER A 50 11.127 15.958 0.779 1.00 0.96 C ATOM 785 OG SER A 50 12.288 16.569 1.324 1.00 1.72 O ATOM 0 H SER A 50 11.317 13.415 2.024 1.00 0.74 H new ATOM 0 HA SER A 50 9.966 15.995 2.566 1.00 0.79 H new ATOM 0 HB2 SER A 50 11.418 15.245 0.008 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.509 16.715 0.296 1.00 0.96 H new ATOM 0 HG SER A 50 12.244 16.541 2.303 1.00 1.72 H new ATOM 791 N GLU A 51 7.991 14.547 1.943 1.00 0.78 N ATOM 792 CA GLU A 51 6.852 13.733 1.541 1.00 0.71 C ATOM 793 C GLU A 51 6.093 14.347 0.365 1.00 0.74 C ATOM 794 O GLU A 51 5.051 13.844 -0.038 1.00 0.80 O ATOM 795 CB GLU A 51 5.911 13.484 2.723 1.00 0.85 C ATOM 796 CG GLU A 51 5.368 14.749 3.364 1.00 1.46 C ATOM 797 CD GLU A 51 4.492 14.455 4.564 1.00 1.68 C ATOM 798 OE1 GLU A 51 5.027 14.351 5.688 1.00 2.02 O ATOM 799 OE2 GLU A 51 3.261 14.334 4.388 1.00 2.09 O ATOM 0 H GLU A 51 7.845 15.101 2.787 1.00 0.78 H new ATOM 0 HA GLU A 51 7.248 12.774 1.206 1.00 0.71 H new ATOM 0 HB2 GLU A 51 5.074 12.874 2.384 1.00 0.85 H new ATOM 0 HB3 GLU A 51 6.441 12.906 3.480 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.199 15.384 3.671 1.00 1.46 H new ATOM 0 HG3 GLU A 51 4.794 15.310 2.626 1.00 1.46 H new ATOM 806 N GLU A 52 6.629 15.429 -0.189 1.00 0.78 N ATOM 807 CA GLU A 52 6.142 15.973 -1.455 1.00 0.89 C ATOM 808 C GLU A 52 6.353 14.936 -2.559 1.00 0.78 C ATOM 809 O GLU A 52 5.736 14.984 -3.621 1.00 0.85 O ATOM 810 CB GLU A 52 6.899 17.265 -1.786 1.00 1.09 C ATOM 811 CG GLU A 52 6.484 17.922 -3.093 1.00 1.70 C ATOM 812 CD GLU A 52 5.062 18.439 -3.065 1.00 2.16 C ATOM 813 OE1 GLU A 52 4.831 19.530 -2.514 1.00 2.43 O ATOM 814 OE2 GLU A 52 4.165 17.746 -3.589 1.00 2.83 O ATOM 0 H GLU A 52 7.405 15.950 0.220 1.00 0.78 H new ATOM 0 HA GLU A 52 5.079 16.202 -1.376 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.751 17.976 -0.973 1.00 1.09 H new ATOM 0 HB3 GLU A 52 7.966 17.046 -1.827 1.00 1.09 H new ATOM 0 HG2 GLU A 52 7.162 18.748 -3.310 1.00 1.70 H new ATOM 0 HG3 GLU A 52 6.588 17.202 -3.905 1.00 1.70 H new ATOM 821 N TYR A 53 7.234 13.988 -2.273 1.00 0.65 N ATOM 822 CA TYR A 53 7.557 12.915 -3.196 1.00 0.61 C ATOM 823 C TYR A 53 6.554 11.762 -3.078 1.00 0.52 C ATOM 824 O TYR A 53 6.690 10.746 -3.757 1.00 0.52 O ATOM 825 CB TYR A 53 8.984 12.430 -2.913 1.00 0.62 C ATOM 826 CG TYR A 53 10.036 13.493 -3.143 1.00 0.82 C ATOM 827 CD1 TYR A 53 10.015 14.296 -4.276 1.00 1.23 C ATOM 828 CD2 TYR A 53 11.043 13.702 -2.214 1.00 0.83 C ATOM 829 CE1 TYR A 53 10.970 15.274 -4.473 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.998 14.677 -2.399 1.00 1.01 C ATOM 831 CZ TYR A 53 11.959 15.461 -3.530 1.00 1.25 C ATOM 832 OH TYR A 53 12.909 16.439 -3.717 1.00 1.48 O ATOM 0 H TYR A 53 7.745 13.943 -1.391 1.00 0.65 H new ATOM 0 HA TYR A 53 7.496 13.290 -4.218 1.00 0.61 H new ATOM 0 HB2 TYR A 53 9.045 12.086 -1.880 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.201 11.571 -3.548 1.00 0.62 H new ATOM 0 HD1 TYR A 53 9.240 14.153 -5.014 1.00 1.23 H new ATOM 0 HD2 TYR A 53 11.080 13.088 -1.327 1.00 0.83 H new ATOM 0 HE1 TYR A 53 10.943 15.889 -5.360 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.773 14.826 -1.661 1.00 1.01 H new ATOM 0 HH TYR A 53 13.532 16.439 -2.960 1.00 1.48 H new ATOM 842 N ASP A 54 5.555 11.931 -2.205 1.00 0.52 N ATOM 843 CA ASP A 54 4.495 10.932 -2.006 1.00 0.52 C ATOM 844 C ASP A 54 3.818 10.599 -3.332 1.00 0.57 C ATOM 845 O ASP A 54 3.244 11.475 -3.985 1.00 0.68 O ATOM 846 CB ASP A 54 3.461 11.468 -1.016 1.00 0.65 C ATOM 847 CG ASP A 54 2.419 10.453 -0.631 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.733 9.539 0.155 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.263 10.602 -1.090 1.00 1.22 O ATOM 0 H ASP A 54 5.457 12.759 -1.618 1.00 0.52 H new ATOM 0 HA ASP A 54 4.942 10.022 -1.606 1.00 0.52 H new ATOM 0 HB2 ASP A 54 3.973 11.811 -0.117 1.00 0.65 H new ATOM 0 HB3 ASP A 54 2.968 12.337 -1.452 1.00 0.65 H new ATOM 854 N GLN A 55 3.878 9.335 -3.724 1.00 0.54 N ATOM 855 CA GLN A 55 3.450 8.940 -5.055 1.00 0.60 C ATOM 856 C GLN A 55 2.363 7.868 -5.014 1.00 0.46 C ATOM 857 O GLN A 55 2.530 6.812 -4.408 1.00 0.57 O ATOM 858 CB GLN A 55 4.659 8.440 -5.859 1.00 0.78 C ATOM 859 CG GLN A 55 5.314 7.193 -5.279 1.00 0.87 C ATOM 860 CD GLN A 55 6.631 6.855 -5.946 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.670 6.158 -6.959 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.720 7.328 -5.366 1.00 0.81 N ATOM 0 H GLN A 55 4.217 8.569 -3.142 1.00 0.54 H new ATOM 0 HA GLN A 55 3.021 9.816 -5.541 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.342 8.230 -6.880 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.401 9.236 -5.913 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.480 7.339 -4.212 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.632 6.349 -5.383 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.642 7.902 -4.527 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.638 7.119 -5.758 1.00 0.81 H new ATOM 871 N VAL A 56 1.238 8.157 -5.649 1.00 0.41 N ATOM 872 CA VAL A 56 0.208 7.159 -5.863 1.00 0.37 C ATOM 873 C VAL A 56 0.666 6.201 -6.953 1.00 0.36 C ATOM 874 O VAL A 56 0.796 6.586 -8.115 1.00 0.44 O ATOM 875 CB VAL A 56 -1.138 7.796 -6.274 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.206 6.727 -6.448 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.581 8.833 -5.249 1.00 1.08 C ATOM 0 H VAL A 56 1.017 9.079 -6.026 1.00 0.41 H new ATOM 0 HA VAL A 56 0.050 6.629 -4.924 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.997 8.300 -7.230 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.146 7.196 -6.737 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.896 6.026 -7.223 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.342 6.192 -5.508 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.531 9.268 -5.559 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.701 8.355 -4.277 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.828 9.618 -5.177 1.00 1.08 H new ATOM 887 N LEU A 57 0.928 4.966 -6.568 1.00 0.34 N ATOM 888 CA LEU A 57 1.454 3.969 -7.487 1.00 0.39 C ATOM 889 C LEU A 57 0.411 3.558 -8.511 1.00 0.36 C ATOM 890 O LEU A 57 0.581 3.770 -9.710 1.00 0.48 O ATOM 891 CB LEU A 57 1.938 2.742 -6.713 1.00 0.44 C ATOM 892 CG LEU A 57 3.312 2.893 -6.068 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.612 1.712 -5.159 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.370 3.017 -7.147 1.00 0.77 C ATOM 0 H LEU A 57 0.784 4.625 -5.617 1.00 0.34 H new ATOM 0 HA LEU A 57 2.295 4.414 -8.019 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.211 2.511 -5.935 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.962 1.889 -7.391 1.00 0.44 H new ATOM 0 HG LEU A 57 3.318 3.796 -5.458 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.597 1.840 -4.709 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.859 1.657 -4.373 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.596 0.791 -5.742 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.351 3.125 -6.684 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.360 2.123 -7.771 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.161 3.892 -7.763 1.00 0.77 H new ATOM 906 N ASP A 58 -0.674 2.985 -8.034 1.00 0.31 N ATOM 907 CA ASP A 58 -1.708 2.484 -8.916 1.00 0.35 C ATOM 908 C ASP A 58 -3.064 2.632 -8.244 1.00 0.33 C ATOM 909 O ASP A 58 -3.139 2.744 -7.016 1.00 0.33 O ATOM 910 CB ASP A 58 -1.426 1.019 -9.260 1.00 0.43 C ATOM 911 CG ASP A 58 -2.236 0.518 -10.436 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.354 0.009 -10.223 1.00 1.31 O ATOM 913 OD2 ASP A 58 -1.754 0.630 -11.584 1.00 0.92 O ATOM 0 H ASP A 58 -0.863 2.854 -7.040 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.715 3.060 -9.842 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.365 0.902 -9.481 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.640 0.400 -8.389 1.00 0.43 H new ATOM 918 N SER A 59 -4.121 2.651 -9.037 1.00 0.42 N ATOM 919 CA SER A 59 -5.463 2.800 -8.515 1.00 0.43 C ATOM 920 C SER A 59 -6.406 1.813 -9.188 1.00 0.46 C ATOM 921 O SER A 59 -6.622 1.861 -10.399 1.00 0.58 O ATOM 922 CB SER A 59 -5.950 4.241 -8.699 1.00 0.52 C ATOM 923 OG SER A 59 -5.632 4.731 -9.992 1.00 1.09 O ATOM 0 H SER A 59 -4.072 2.564 -10.052 1.00 0.42 H new ATOM 0 HA SER A 59 -5.451 2.581 -7.447 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.028 4.285 -8.546 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.494 4.881 -7.943 1.00 0.52 H new ATOM 0 HG SER A 59 -5.808 4.034 -10.658 1.00 1.09 H new ATOM 929 N VAL A 60 -6.964 0.922 -8.393 1.00 0.39 N ATOM 930 CA VAL A 60 -7.857 -0.104 -8.887 1.00 0.45 C ATOM 931 C VAL A 60 -9.293 0.302 -8.618 1.00 0.38 C ATOM 932 O VAL A 60 -9.740 0.314 -7.474 1.00 0.39 O ATOM 933 CB VAL A 60 -7.564 -1.466 -8.221 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.570 -2.522 -8.651 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.151 -1.922 -8.542 1.00 1.11 C ATOM 0 H VAL A 60 -6.810 0.890 -7.385 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.699 -0.211 -9.960 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.656 -1.335 -7.143 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.335 -3.468 -8.164 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.573 -2.206 -8.365 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.524 -2.649 -9.733 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.962 -2.883 -8.065 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.038 -2.024 -9.621 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.438 -1.186 -8.171 1.00 1.11 H new ATOM 945 N LEU A 61 -9.993 0.673 -9.673 1.00 0.40 N ATOM 946 CA LEU A 61 -11.371 1.115 -9.566 1.00 0.39 C ATOM 947 C LEU A 61 -12.295 -0.010 -9.999 1.00 0.38 C ATOM 948 O LEU A 61 -12.398 -0.299 -11.190 1.00 0.57 O ATOM 949 CB LEU A 61 -11.586 2.343 -10.457 1.00 0.51 C ATOM 950 CG LEU A 61 -10.546 3.453 -10.290 1.00 0.62 C ATOM 951 CD1 LEU A 61 -10.684 4.496 -11.387 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.678 4.099 -8.923 1.00 1.34 C ATOM 0 H LEU A 61 -9.625 0.677 -10.624 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.592 1.383 -8.533 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.588 2.022 -11.499 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.573 2.756 -10.249 1.00 0.51 H new ATOM 0 HG LEU A 61 -9.555 3.006 -10.371 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.934 5.274 -11.246 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -10.539 4.024 -12.359 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -11.679 4.939 -11.344 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.932 4.887 -8.819 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -11.675 4.528 -8.818 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -10.523 3.348 -8.149 1.00 1.34 H new ATOM 964 N VAL A 62 -12.953 -0.664 -9.051 1.00 0.27 N ATOM 965 CA VAL A 62 -13.830 -1.770 -9.406 1.00 0.27 C ATOM 966 C VAL A 62 -15.303 -1.343 -9.361 1.00 0.26 C ATOM 967 O VAL A 62 -15.898 -1.187 -8.292 1.00 0.30 O ATOM 968 CB VAL A 62 -13.581 -3.000 -8.482 1.00 0.34 C ATOM 969 CG1 VAL A 62 -13.561 -2.608 -7.014 1.00 0.72 C ATOM 970 CG2 VAL A 62 -14.610 -4.097 -8.736 1.00 0.59 C ATOM 0 H VAL A 62 -12.899 -0.455 -8.054 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.596 -2.064 -10.429 1.00 0.27 H new ATOM 0 HB VAL A 62 -12.595 -3.394 -8.730 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -13.385 -3.494 -6.403 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -12.765 -1.884 -6.842 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.519 -2.165 -6.743 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -14.411 -4.942 -8.077 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -15.610 -3.711 -8.539 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -14.545 -4.423 -9.774 1.00 0.59 H new ATOM 980 N GLY A 63 -15.853 -1.084 -10.544 1.00 0.28 N ATOM 981 CA GLY A 63 -17.277 -0.876 -10.712 1.00 0.33 C ATOM 982 C GLY A 63 -17.947 -2.076 -11.381 1.00 0.36 C ATOM 983 O GLY A 63 -17.421 -2.570 -12.381 1.00 0.42 O ATOM 0 H GLY A 63 -15.319 -1.014 -11.410 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.736 -0.698 -9.740 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.446 0.017 -11.313 1.00 0.33 H new ATOM 987 N PRO A 64 -19.073 -2.608 -10.880 1.00 0.39 N ATOM 988 CA PRO A 64 -19.595 -2.379 -9.543 1.00 0.39 C ATOM 989 C PRO A 64 -19.225 -3.550 -8.635 1.00 0.38 C ATOM 990 O PRO A 64 -18.739 -4.581 -9.114 1.00 0.41 O ATOM 991 CB PRO A 64 -21.094 -2.344 -9.801 1.00 0.48 C ATOM 992 CG PRO A 64 -21.303 -3.370 -10.864 1.00 0.55 C ATOM 993 CD PRO A 64 -20.006 -3.461 -11.642 1.00 0.48 C ATOM 0 HA PRO A 64 -19.214 -1.484 -9.051 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.659 -2.582 -8.900 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.419 -1.357 -10.130 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.560 -4.334 -10.426 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.128 -3.087 -11.518 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -19.648 -4.489 -11.703 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.128 -3.105 -12.665 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.419 -3.405 -7.341 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.045 -4.464 -6.423 1.00 0.40 C ATOM 1003 C VAL A 65 -20.269 -5.061 -5.729 1.00 0.41 C ATOM 1004 O VAL A 65 -20.760 -4.515 -4.747 1.00 0.48 O ATOM 1005 CB VAL A 65 -18.033 -3.978 -5.369 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.864 -4.943 -5.300 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.547 -2.566 -5.671 1.00 0.95 C ATOM 0 H VAL A 65 -19.827 -2.578 -6.904 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.569 -5.240 -7.022 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.533 -3.949 -4.401 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.150 -4.596 -4.553 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.226 -5.933 -5.024 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.376 -4.993 -6.273 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.834 -2.255 -4.907 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -17.063 -2.549 -6.647 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.396 -1.882 -5.675 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.788 -6.190 -6.244 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.960 -6.863 -5.667 1.00 0.48 C ATOM 1019 C PRO A 66 -21.699 -7.365 -4.250 1.00 0.39 C ATOM 1020 O PRO A 66 -20.546 -7.583 -3.868 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.209 -8.048 -6.609 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.463 -7.722 -7.858 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.282 -6.897 -7.431 1.00 0.46 C ATOM 0 HA PRO A 66 -22.810 -6.185 -5.585 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -21.853 -8.980 -6.171 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.273 -8.175 -6.808 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -21.141 -8.630 -8.368 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -22.093 -7.170 -8.556 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.419 -7.519 -7.194 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.970 -6.204 -8.212 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.769 -7.558 -3.485 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.656 -7.997 -2.100 1.00 0.36 C ATOM 1033 C ALA A 67 -21.975 -9.350 -2.019 1.00 0.34 C ATOM 1034 O ALA A 67 -22.428 -10.321 -2.626 1.00 0.39 O ATOM 1035 CB ALA A 67 -24.027 -8.066 -1.442 1.00 0.40 C ATOM 0 H ALA A 67 -23.728 -7.416 -3.803 1.00 0.41 H new ATOM 0 HA ALA A 67 -22.048 -7.266 -1.566 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.919 -8.396 -0.409 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.490 -7.079 -1.461 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.656 -8.772 -1.984 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.887 -9.411 -1.275 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.165 -10.653 -1.133 1.00 0.33 C ATOM 1043 C GLY A 68 -18.718 -10.433 -0.766 1.00 0.27 C ATOM 1044 O GLY A 68 -18.178 -9.344 -0.968 1.00 0.26 O ATOM 0 H GLY A 68 -20.490 -8.622 -0.766 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.643 -11.264 -0.367 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.220 -11.212 -2.067 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.090 -11.460 -0.222 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.690 -11.378 0.138 1.00 0.26 C ATOM 1050 C ARG A 69 -15.823 -11.633 -1.085 1.00 0.26 C ATOM 1051 O ARG A 69 -15.770 -12.744 -1.610 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.363 -12.367 1.254 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.961 -12.205 1.808 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.791 -12.957 3.122 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.818 -12.594 4.103 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.744 -12.857 5.406 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.707 -13.514 5.910 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.731 -12.477 6.202 1.00 2.78 N ATOM 0 H ARG A 69 -18.529 -12.359 -0.021 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.480 -10.375 0.508 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -17.083 -12.242 2.063 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.482 -13.383 0.876 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.236 -12.572 1.081 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.750 -11.147 1.963 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.834 -14.030 2.933 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.805 -12.745 3.535 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.647 -12.106 3.764 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.953 -13.825 5.297 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -14.664 -13.708 6.910 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -17.538 -11.988 5.816 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -16.684 -12.674 7.202 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.160 -10.587 -1.539 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.364 -10.642 -2.754 1.00 0.24 C ATOM 1074 C HIS A 70 -12.885 -10.621 -2.419 1.00 0.25 C ATOM 1075 O HIS A 70 -12.490 -10.113 -1.373 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.683 -9.448 -3.648 1.00 0.30 C ATOM 1077 CG HIS A 70 -16.119 -9.346 -4.060 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.773 -10.318 -4.785 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.027 -8.368 -3.843 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -18.017 -9.937 -5.001 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.197 -8.757 -4.439 1.00 0.47 N ATOM 0 H HIS A 70 -15.157 -9.677 -1.079 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.606 -11.568 -3.276 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.403 -8.534 -3.125 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -14.065 -9.506 -4.544 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.860 -7.450 -3.300 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.763 -10.497 -5.546 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.065 -8.222 -4.447 1.00 0.47 H new ATOM 1090 N MET A 71 -12.076 -11.153 -3.314 1.00 0.33 N ATOM 1091 CA MET A 71 -10.632 -11.145 -3.143 1.00 0.38 C ATOM 1092 C MET A 71 -9.957 -10.809 -4.462 1.00 0.38 C ATOM 1093 O MET A 71 -10.030 -11.584 -5.416 1.00 0.48 O ATOM 1094 CB MET A 71 -10.131 -12.505 -2.651 1.00 0.47 C ATOM 1095 CG MET A 71 -8.618 -12.570 -2.497 1.00 0.60 C ATOM 1096 SD MET A 71 -8.013 -14.245 -2.201 1.00 0.80 S ATOM 1097 CE MET A 71 -8.884 -14.667 -0.694 1.00 1.80 C ATOM 0 H MET A 71 -12.395 -11.600 -4.174 1.00 0.33 H new ATOM 0 HA MET A 71 -10.383 -10.390 -2.397 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.597 -12.731 -1.692 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.452 -13.277 -3.350 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.149 -12.174 -3.397 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.314 -11.928 -1.670 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.753 -15.728 -0.483 1.00 1.80 H new ATOM 0 HE2 MET A 71 -8.484 -14.081 0.133 1.00 1.80 H new ATOM 0 HE3 MET A 71 -9.945 -14.449 -0.814 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.314 -9.656 -4.526 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.590 -9.278 -5.727 1.00 0.31 C ATOM 1109 C PHE A 72 -7.125 -9.042 -5.392 1.00 0.29 C ATOM 1110 O PHE A 72 -6.780 -8.697 -4.257 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.210 -8.038 -6.397 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.909 -6.726 -5.722 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.733 -6.252 -4.714 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.802 -5.976 -6.083 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.461 -5.057 -4.083 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.527 -4.779 -5.454 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.345 -4.296 -4.504 1.00 0.29 C ATOM 0 H PHE A 72 -9.278 -8.972 -3.770 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.662 -10.097 -6.443 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.858 -7.987 -7.427 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.291 -8.168 -6.436 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.599 -6.826 -4.419 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.147 -6.332 -6.865 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -10.091 -4.707 -3.279 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.643 -4.223 -5.729 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.151 -3.329 -4.063 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.268 -9.240 -6.374 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.842 -9.083 -6.181 1.00 0.29 C ATOM 1129 C VAL A 73 -4.393 -7.726 -6.693 1.00 0.30 C ATOM 1130 O VAL A 73 -4.406 -7.464 -7.897 1.00 0.47 O ATOM 1131 CB VAL A 73 -4.045 -10.192 -6.898 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.559 -10.070 -6.592 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.564 -11.568 -6.508 1.00 1.00 C ATOM 0 H VAL A 73 -6.538 -9.512 -7.319 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.645 -9.159 -5.112 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.183 -10.069 -7.972 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -2.015 -10.862 -7.107 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.196 -9.100 -6.932 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.400 -10.161 -5.517 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.987 -12.335 -7.026 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.463 -11.703 -5.431 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.614 -11.653 -6.788 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.022 -6.865 -5.770 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.529 -5.550 -6.108 1.00 0.25 C ATOM 1145 C PHE A 74 -2.022 -5.626 -6.292 1.00 0.25 C ATOM 1146 O PHE A 74 -1.300 -6.049 -5.390 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.880 -4.556 -4.999 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.834 -3.111 -5.419 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.823 -2.633 -6.238 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.810 -2.229 -4.987 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.784 -1.308 -6.615 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.775 -0.900 -5.360 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.762 -0.438 -6.174 1.00 0.31 C ATOM 0 H PHE A 74 -4.054 -7.057 -4.769 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.993 -5.207 -7.033 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.880 -4.782 -4.629 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.191 -4.702 -4.167 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.055 -3.308 -6.586 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.607 -2.584 -4.351 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.990 -0.951 -7.254 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.541 -0.222 -5.014 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.734 0.601 -6.466 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.557 -5.240 -7.464 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.133 -5.237 -7.746 1.00 0.27 C ATOM 1165 C GLN A 75 0.306 -3.876 -8.249 1.00 0.32 C ATOM 1166 O GLN A 75 -0.153 -3.409 -9.289 1.00 0.41 O ATOM 1167 CB GLN A 75 0.235 -6.312 -8.770 1.00 0.32 C ATOM 1168 CG GLN A 75 0.034 -7.733 -8.268 1.00 0.49 C ATOM 1169 CD GLN A 75 0.525 -8.780 -9.249 1.00 0.52 C ATOM 1170 OE1 GLN A 75 0.003 -9.893 -9.299 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.530 -8.435 -10.041 1.00 1.12 N ATOM 0 H GLN A 75 -2.143 -4.924 -8.237 1.00 0.24 H new ATOM 0 HA GLN A 75 0.387 -5.460 -6.814 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.365 -6.166 -9.668 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.278 -6.183 -9.059 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.558 -7.856 -7.320 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.025 -7.897 -8.070 1.00 0.49 H new ATOM 0 HE21 GLN A 75 1.938 -7.503 -9.971 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.896 -9.102 -10.721 1.00 1.12 H new ATOM 1180 N ALA A 76 1.185 -3.243 -7.499 1.00 0.36 N ATOM 1181 CA ALA A 76 1.736 -1.962 -7.895 1.00 0.46 C ATOM 1182 C ALA A 76 3.189 -2.134 -8.291 1.00 0.40 C ATOM 1183 O ALA A 76 3.944 -2.824 -7.604 1.00 0.48 O ATOM 1184 CB ALA A 76 1.602 -0.951 -6.768 1.00 0.56 C ATOM 0 H ALA A 76 1.535 -3.596 -6.608 1.00 0.36 H new ATOM 0 HA ALA A 76 1.178 -1.584 -8.752 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.021 0.004 -7.084 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.549 -0.821 -6.520 1.00 0.56 H new ATOM 0 HB3 ALA A 76 2.140 -1.311 -5.891 1.00 0.56 H new ATOM 1190 N ASP A 77 3.573 -1.529 -9.402 1.00 0.56 N ATOM 1191 CA ASP A 77 4.934 -1.652 -9.904 1.00 0.61 C ATOM 1192 C ASP A 77 5.911 -0.916 -8.990 1.00 0.43 C ATOM 1193 O ASP A 77 5.498 -0.224 -8.056 1.00 0.47 O ATOM 1194 CB ASP A 77 5.034 -1.123 -11.338 1.00 0.95 C ATOM 1195 CG ASP A 77 4.788 0.369 -11.447 1.00 1.54 C ATOM 1196 OD1 ASP A 77 3.610 0.788 -11.408 1.00 2.13 O ATOM 1197 OD2 ASP A 77 5.768 1.124 -11.601 1.00 2.06 O ATOM 0 H ASP A 77 2.962 -0.947 -9.975 1.00 0.56 H new ATOM 0 HA ASP A 77 5.200 -2.709 -9.912 1.00 0.61 H new ATOM 0 HB2 ASP A 77 6.024 -1.350 -11.733 1.00 0.95 H new ATOM 0 HB3 ASP A 77 4.313 -1.649 -11.963 1.00 0.95 H new ATOM 1202 N ALA A 78 7.201 -1.080 -9.256 1.00 0.45 N ATOM 1203 CA ALA A 78 8.235 -0.482 -8.429 1.00 0.36 C ATOM 1204 C ALA A 78 8.134 1.038 -8.443 1.00 0.37 C ATOM 1205 O ALA A 78 8.198 1.659 -9.508 1.00 0.46 O ATOM 1206 CB ALA A 78 9.610 -0.931 -8.899 1.00 0.40 C ATOM 0 H ALA A 78 7.554 -1.625 -10.042 1.00 0.45 H new ATOM 0 HA ALA A 78 8.089 -0.818 -7.403 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.376 -0.476 -8.271 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.682 -2.016 -8.830 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.759 -0.623 -9.934 1.00 0.40 H new ATOM 1212 N PRO A 79 7.959 1.648 -7.258 1.00 0.34 N ATOM 1213 CA PRO A 79 7.875 3.102 -7.113 1.00 0.43 C ATOM 1214 C PRO A 79 9.040 3.802 -7.792 1.00 0.41 C ATOM 1215 O PRO A 79 10.148 3.277 -7.818 1.00 0.47 O ATOM 1216 CB PRO A 79 7.933 3.316 -5.601 1.00 0.47 C ATOM 1217 CG PRO A 79 7.411 2.049 -5.020 1.00 0.53 C ATOM 1218 CD PRO A 79 7.827 0.957 -5.964 1.00 0.33 C ATOM 0 HA PRO A 79 6.977 3.511 -7.575 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.952 3.514 -5.268 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.327 4.170 -5.298 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.819 1.880 -4.024 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.326 2.084 -4.918 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.767 0.498 -5.657 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.084 0.161 -6.009 1.00 0.33 H new ATOM 1226 N ASN A 80 8.791 4.980 -8.342 1.00 0.43 N ATOM 1227 CA ASN A 80 9.814 5.698 -9.086 1.00 0.46 C ATOM 1228 C ASN A 80 11.022 5.990 -8.201 1.00 0.40 C ATOM 1229 O ASN A 80 10.927 6.760 -7.241 1.00 0.39 O ATOM 1230 CB ASN A 80 9.259 7.003 -9.660 1.00 0.56 C ATOM 1231 CG ASN A 80 10.299 7.750 -10.475 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.197 7.143 -11.056 1.00 2.19 O ATOM 1233 ND2 ASN A 80 10.181 9.064 -10.538 1.00 1.59 N ATOM 0 H ASN A 80 7.892 5.458 -8.288 1.00 0.43 H new ATOM 0 HA ASN A 80 10.131 5.062 -9.913 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.394 6.785 -10.287 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.911 7.639 -8.846 1.00 0.56 H new ATOM 0 HD21 ASN A 80 10.848 9.610 -11.082 1.00 1.59 H new ATOM 0 HD22 ASN A 80 9.422 9.532 -10.042 1.00 1.59 H new ATOM 1240 N PRO A 81 12.176 5.372 -8.515 1.00 0.41 N ATOM 1241 CA PRO A 81 13.417 5.550 -7.751 1.00 0.41 C ATOM 1242 C PRO A 81 13.890 6.997 -7.763 1.00 0.43 C ATOM 1243 O PRO A 81 14.669 7.416 -6.912 1.00 0.48 O ATOM 1244 CB PRO A 81 14.426 4.650 -8.477 1.00 0.47 C ATOM 1245 CG PRO A 81 13.591 3.679 -9.238 1.00 0.54 C ATOM 1246 CD PRO A 81 12.363 4.438 -9.641 1.00 0.48 C ATOM 0 HA PRO A 81 13.288 5.295 -6.699 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.065 5.229 -9.143 1.00 0.47 H new ATOM 0 HB3 PRO A 81 15.081 4.140 -7.771 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.124 3.303 -10.111 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.335 2.816 -8.624 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.504 4.965 -10.585 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.504 3.780 -9.768 1.00 0.48 H new ATOM 1254 N GLY A 82 13.406 7.756 -8.739 1.00 0.45 N ATOM 1255 CA GLY A 82 13.722 9.165 -8.810 1.00 0.49 C ATOM 1256 C GLY A 82 13.065 9.951 -7.694 1.00 0.48 C ATOM 1257 O GLY A 82 13.529 11.031 -7.331 1.00 0.51 O ATOM 0 H GLY A 82 12.798 7.416 -9.484 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.803 9.297 -8.759 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.398 9.561 -9.772 1.00 0.49 H new ATOM 1261 N LEU A 83 11.987 9.407 -7.140 1.00 0.46 N ATOM 1262 CA LEU A 83 11.279 10.068 -6.052 1.00 0.49 C ATOM 1263 C LEU A 83 11.808 9.610 -4.702 1.00 0.46 C ATOM 1264 O LEU A 83 11.874 10.405 -3.764 1.00 0.52 O ATOM 1265 CB LEU A 83 9.772 9.822 -6.139 1.00 0.52 C ATOM 1266 CG LEU A 83 9.063 10.548 -7.282 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.583 10.207 -7.294 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.261 12.052 -7.164 1.00 1.34 C ATOM 0 H LEU A 83 11.586 8.514 -7.426 1.00 0.46 H new ATOM 0 HA LEU A 83 11.456 11.139 -6.150 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.600 8.751 -6.247 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.315 10.125 -5.197 1.00 0.52 H new ATOM 0 HG LEU A 83 9.501 10.215 -8.223 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.095 10.733 -8.114 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.458 9.132 -7.427 1.00 1.60 H new ATOM 0 HD13 LEU A 83 7.132 10.510 -6.349 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.749 12.552 -7.986 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.850 12.400 -6.216 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.325 12.283 -7.205 1.00 1.34 H new ATOM 1280 N ILE A 84 12.204 8.342 -4.609 1.00 0.41 N ATOM 1281 CA ILE A 84 12.752 7.810 -3.368 1.00 0.40 C ATOM 1282 C ILE A 84 14.192 8.286 -3.192 1.00 0.46 C ATOM 1283 O ILE A 84 15.087 7.882 -3.939 1.00 0.52 O ATOM 1284 CB ILE A 84 12.708 6.270 -3.342 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.322 5.775 -3.762 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.057 5.755 -1.952 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.230 4.270 -3.895 1.00 0.33 C ATOM 0 H ILE A 84 12.155 7.669 -5.374 1.00 0.41 H new ATOM 0 HA ILE A 84 12.137 8.178 -2.547 1.00 0.40 H new ATOM 0 HB ILE A 84 13.444 5.886 -4.048 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.588 6.112 -3.030 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.055 6.232 -4.715 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.022 4.666 -1.948 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.060 6.087 -1.682 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.340 6.144 -1.229 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.220 3.992 -4.195 1.00 0.33 H new ATOM 0 HD12 ILE A 84 11.939 3.927 -4.648 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.465 3.805 -2.937 1.00 0.33 H new ATOM 1299 N PRO A 85 14.427 9.171 -2.215 1.00 0.48 N ATOM 1300 CA PRO A 85 15.719 9.823 -2.008 1.00 0.57 C ATOM 1301 C PRO A 85 16.721 8.912 -1.307 1.00 0.56 C ATOM 1302 O PRO A 85 16.342 7.924 -0.676 1.00 0.55 O ATOM 1303 CB PRO A 85 15.363 11.032 -1.114 1.00 0.68 C ATOM 1304 CG PRO A 85 13.869 11.041 -1.054 1.00 0.81 C ATOM 1305 CD PRO A 85 13.474 9.610 -1.197 1.00 0.50 C ATOM 0 HA PRO A 85 16.198 10.097 -2.948 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.797 10.929 -0.120 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.747 11.961 -1.535 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.513 11.457 -0.112 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.445 11.650 -1.852 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.579 9.056 -0.264 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.440 9.496 -1.521 1.00 0.50 H new ATOM 1313 N ASP A 86 17.999 9.255 -1.412 1.00 0.67 N ATOM 1314 CA ASP A 86 19.066 8.503 -0.752 1.00 0.76 C ATOM 1315 C ASP A 86 18.847 8.480 0.755 1.00 0.78 C ATOM 1316 O ASP A 86 19.240 7.543 1.451 1.00 0.86 O ATOM 1317 CB ASP A 86 20.424 9.133 -1.063 1.00 0.98 C ATOM 1318 CG ASP A 86 20.724 10.352 -0.212 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.167 11.436 -0.497 1.00 1.92 O ATOM 1320 OD2 ASP A 86 21.511 10.228 0.747 1.00 2.29 O ATOM 0 H ASP A 86 18.326 10.056 -1.952 1.00 0.67 H new ATOM 0 HA ASP A 86 19.049 7.480 -1.128 1.00 0.76 H new ATOM 0 HB2 ASP A 86 21.206 8.389 -0.910 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.454 9.416 -2.115 1.00 0.98 H new ATOM 1325 N ALA A 87 18.216 9.533 1.240 1.00 0.83 N ATOM 1326 CA ALA A 87 17.910 9.678 2.655 1.00 0.99 C ATOM 1327 C ALA A 87 16.805 8.719 3.103 1.00 0.90 C ATOM 1328 O ALA A 87 16.731 8.355 4.275 1.00 1.07 O ATOM 1329 CB ALA A 87 17.506 11.113 2.950 1.00 1.25 C ATOM 0 H ALA A 87 17.900 10.314 0.665 1.00 0.83 H new ATOM 0 HA ALA A 87 18.809 9.426 3.217 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.278 11.216 4.011 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.325 11.783 2.688 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.625 11.371 2.363 1.00 1.25 H new ATOM 1335 N ASP A 88 15.956 8.301 2.171 1.00 0.76 N ATOM 1336 CA ASP A 88 14.784 7.497 2.520 1.00 0.78 C ATOM 1337 C ASP A 88 14.955 6.036 2.120 1.00 0.62 C ATOM 1338 O ASP A 88 14.499 5.137 2.828 1.00 0.64 O ATOM 1339 CB ASP A 88 13.532 8.064 1.848 1.00 0.99 C ATOM 1340 CG ASP A 88 12.269 7.332 2.258 1.00 1.41 C ATOM 1341 OD1 ASP A 88 11.701 7.686 3.309 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.847 6.407 1.540 1.00 1.94 O ATOM 0 H ASP A 88 16.053 8.502 1.176 1.00 0.76 H new ATOM 0 HA ASP A 88 14.675 7.541 3.604 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.434 9.120 2.101 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.647 8.005 0.766 1.00 0.99 H new ATOM 1347 N ALA A 89 15.636 5.810 1.000 1.00 0.54 N ATOM 1348 CA ALA A 89 15.756 4.474 0.419 1.00 0.49 C ATOM 1349 C ALA A 89 16.389 3.475 1.383 1.00 0.44 C ATOM 1350 O ALA A 89 16.097 2.287 1.327 1.00 0.51 O ATOM 1351 CB ALA A 89 16.559 4.537 -0.871 1.00 0.48 C ATOM 0 H ALA A 89 16.116 6.539 0.473 1.00 0.54 H new ATOM 0 HA ALA A 89 14.747 4.122 0.207 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.643 3.537 -1.296 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.055 5.192 -1.581 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.555 4.927 -0.661 1.00 0.48 H new ATOM 1357 N VAL A 90 17.256 3.951 2.260 1.00 0.41 N ATOM 1358 CA VAL A 90 17.920 3.072 3.213 1.00 0.43 C ATOM 1359 C VAL A 90 17.239 3.170 4.586 1.00 0.43 C ATOM 1360 O VAL A 90 17.901 3.184 5.630 1.00 0.49 O ATOM 1361 CB VAL A 90 19.418 3.420 3.359 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.181 2.246 3.951 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.017 3.831 2.025 1.00 0.54 C ATOM 0 H VAL A 90 17.517 4.934 2.334 1.00 0.41 H new ATOM 0 HA VAL A 90 17.840 2.054 2.832 1.00 0.43 H new ATOM 0 HB VAL A 90 19.504 4.268 4.039 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.235 2.508 4.047 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.775 2.007 4.934 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.081 1.380 3.297 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.072 4.070 2.158 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.918 3.011 1.314 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.492 4.707 1.645 1.00 0.54 H new ATOM 1373 N GLY A 91 15.917 3.250 4.588 1.00 0.42 N ATOM 1374 CA GLY A 91 15.196 3.444 5.829 1.00 0.46 C ATOM 1375 C GLY A 91 13.807 2.841 5.809 1.00 0.43 C ATOM 1376 O GLY A 91 13.525 1.934 5.024 1.00 0.62 O ATOM 0 H GLY A 91 15.332 3.184 3.755 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.766 3.002 6.646 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.119 4.512 6.035 1.00 0.46 H new ATOM 1380 N VAL A 92 12.937 3.346 6.674 1.00 0.40 N ATOM 1381 CA VAL A 92 11.583 2.826 6.788 1.00 0.38 C ATOM 1382 C VAL A 92 10.576 3.743 6.091 1.00 0.36 C ATOM 1383 O VAL A 92 10.277 4.846 6.554 1.00 0.55 O ATOM 1384 CB VAL A 92 11.183 2.601 8.270 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.453 3.839 9.116 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.720 2.186 8.381 1.00 1.23 C ATOM 0 H VAL A 92 13.147 4.117 7.308 1.00 0.40 H new ATOM 0 HA VAL A 92 11.566 1.859 6.286 1.00 0.38 H new ATOM 0 HB VAL A 92 11.802 1.792 8.656 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.161 3.645 10.148 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.515 4.081 9.079 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.876 4.678 8.727 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.463 2.034 9.429 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.087 2.968 7.962 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.562 1.258 7.831 1.00 1.23 H new ATOM 1396 N THR A 93 10.064 3.272 4.973 1.00 0.28 N ATOM 1397 CA THR A 93 9.094 4.005 4.196 1.00 0.28 C ATOM 1398 C THR A 93 7.707 3.406 4.440 1.00 0.27 C ATOM 1399 O THR A 93 7.592 2.326 5.016 1.00 0.41 O ATOM 1400 CB THR A 93 9.457 3.933 2.701 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.879 4.053 2.544 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.776 5.037 1.921 1.00 0.59 C ATOM 0 H THR A 93 10.312 2.365 4.578 1.00 0.28 H new ATOM 0 HA THR A 93 9.092 5.052 4.498 1.00 0.28 H new ATOM 0 HB THR A 93 9.116 2.972 2.314 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.106 4.979 2.315 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.050 4.962 0.869 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.695 4.940 2.022 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.092 6.005 2.310 1.00 0.59 H new ATOM 1410 N VAL A 94 6.655 4.098 4.036 1.00 0.25 N ATOM 1411 CA VAL A 94 5.308 3.602 4.265 1.00 0.25 C ATOM 1412 C VAL A 94 4.604 3.335 2.940 1.00 0.24 C ATOM 1413 O VAL A 94 4.704 4.128 2.002 1.00 0.28 O ATOM 1414 CB VAL A 94 4.467 4.598 5.100 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.135 3.983 5.507 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.241 5.065 6.325 1.00 0.32 C ATOM 0 H VAL A 94 6.705 4.995 3.553 1.00 0.25 H new ATOM 0 HA VAL A 94 5.398 2.672 4.826 1.00 0.25 H new ATOM 0 HB VAL A 94 4.260 5.467 4.475 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.565 4.704 6.092 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.571 3.713 4.614 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.314 3.090 6.106 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.630 5.764 6.896 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.489 4.206 6.948 1.00 0.32 H new ATOM 0 HG23 VAL A 94 6.159 5.560 6.008 1.00 0.32 H new ATOM 1426 N VAL A 95 3.913 2.210 2.865 1.00 0.22 N ATOM 1427 CA VAL A 95 3.092 1.893 1.717 1.00 0.22 C ATOM 1428 C VAL A 95 1.661 1.702 2.195 1.00 0.24 C ATOM 1429 O VAL A 95 1.365 0.802 2.984 1.00 0.34 O ATOM 1430 CB VAL A 95 3.605 0.643 0.953 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.790 -0.548 1.882 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.666 0.286 -0.189 1.00 0.60 C ATOM 0 H VAL A 95 3.907 1.497 3.595 1.00 0.22 H new ATOM 0 HA VAL A 95 3.142 2.716 1.005 1.00 0.22 H new ATOM 0 HB VAL A 95 4.581 0.893 0.537 1.00 0.26 H new ATOM 0 HG11 VAL A 95 4.150 -1.403 1.310 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.516 -0.297 2.655 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.837 -0.798 2.347 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.045 -0.593 -0.711 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.674 0.072 0.209 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.605 1.123 -0.885 1.00 0.60 H new ATOM 1442 N LEU A 96 0.784 2.580 1.757 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.559 2.621 2.294 1.00 0.26 C ATOM 1444 C LEU A 96 -1.603 2.438 1.212 1.00 0.24 C ATOM 1445 O LEU A 96 -1.563 3.085 0.168 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.817 3.926 3.064 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.369 5.217 2.372 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.310 6.361 2.720 1.00 1.13 C ATOM 1449 CD2 LEU A 96 1.049 5.577 2.788 1.00 1.21 C ATOM 0 H LEU A 96 0.976 3.273 1.033 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.644 1.787 2.991 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.885 3.999 3.267 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.313 3.861 4.028 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.393 5.052 1.295 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -0.977 7.271 2.220 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.320 6.115 2.391 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.308 6.518 3.799 1.00 1.13 H new ATOM 0 HD21 LEU A 96 1.353 6.497 2.288 1.00 1.21 H new ATOM 0 HD22 LEU A 96 1.086 5.722 3.868 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.726 4.771 2.507 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.537 1.545 1.474 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.659 1.336 0.584 1.00 0.24 C ATOM 1463 C ILE A 97 -4.837 2.166 1.062 1.00 0.26 C ATOM 1464 O ILE A 97 -5.535 1.793 2.008 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.068 -0.151 0.512 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.866 -1.012 0.114 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.218 -0.341 -0.474 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.174 -2.493 0.044 1.00 0.30 C ATOM 0 H ILE A 97 -2.539 0.950 2.302 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.358 1.644 -0.417 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.408 -0.468 1.498 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.498 -0.680 -0.857 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.061 -0.851 0.832 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.494 -1.395 -0.513 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.076 0.247 -0.150 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.906 -0.011 -1.465 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.275 -3.038 -0.244 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.513 -2.841 1.020 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.956 -2.667 -0.695 1.00 0.30 H new ATOM 1480 N THR A 98 -5.023 3.312 0.436 1.00 0.29 N ATOM 1481 CA THR A 98 -6.101 4.205 0.797 1.00 0.33 C ATOM 1482 C THR A 98 -7.356 3.857 0.017 1.00 0.28 C ATOM 1483 O THR A 98 -7.460 4.126 -1.182 1.00 0.37 O ATOM 1484 CB THR A 98 -5.715 5.673 0.548 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.150 5.820 -0.762 1.00 1.42 O ATOM 1486 CG2 THR A 98 -4.721 6.156 1.592 1.00 1.07 C ATOM 0 H THR A 98 -4.437 3.646 -0.329 1.00 0.29 H new ATOM 0 HA THR A 98 -6.297 4.081 1.862 1.00 0.33 H new ATOM 0 HB THR A 98 -6.618 6.279 0.621 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.204 6.759 -1.038 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.463 7.197 1.395 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.166 6.074 2.584 1.00 1.07 H new ATOM 0 HG23 THR A 98 -3.820 5.544 1.547 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.298 3.230 0.695 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.530 2.820 0.062 1.00 0.29 C ATOM 1496 C CYS A 99 -10.513 3.978 0.063 1.00 0.31 C ATOM 1497 O CYS A 99 -11.058 4.355 1.105 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.098 1.607 0.787 1.00 0.36 C ATOM 1499 SG CYS A 99 -8.842 0.368 1.188 1.00 1.32 S ATOM 0 H CYS A 99 -8.231 2.995 1.685 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.341 2.537 -0.974 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -10.583 1.935 1.706 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -10.868 1.148 0.167 1.00 0.36 H new ATOM 0 HG CYS A 99 -8.879 -0.588 0.308 1.00 1.32 H new ATOM 1505 N THR A 100 -10.708 4.556 -1.106 1.00 0.34 N ATOM 1506 CA THR A 100 -11.510 5.750 -1.246 1.00 0.38 C ATOM 1507 C THR A 100 -12.891 5.416 -1.799 1.00 0.37 C ATOM 1508 O THR A 100 -13.019 4.671 -2.771 1.00 0.41 O ATOM 1509 CB THR A 100 -10.799 6.748 -2.176 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.412 6.824 -1.816 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.429 8.130 -2.085 1.00 0.50 C ATOM 0 H THR A 100 -10.315 4.211 -1.982 1.00 0.34 H new ATOM 0 HA THR A 100 -11.636 6.199 -0.261 1.00 0.38 H new ATOM 0 HB THR A 100 -10.900 6.397 -3.203 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.151 7.763 -1.716 1.00 0.47 H new ATOM 0 HG21 THR A 100 -10.905 8.813 -2.753 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.478 8.071 -2.375 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.356 8.497 -1.061 1.00 0.50 H new ATOM 1519 N TYR A 101 -13.920 5.948 -1.160 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.282 5.766 -1.625 1.00 0.40 C ATOM 1521 C TYR A 101 -16.043 7.081 -1.488 1.00 0.44 C ATOM 1522 O TYR A 101 -16.004 7.709 -0.434 1.00 0.44 O ATOM 1523 CB TYR A 101 -15.966 4.657 -0.826 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.355 4.322 -1.308 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.553 3.593 -2.475 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.468 4.728 -0.591 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.823 3.282 -2.907 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -19.739 4.421 -1.021 1.00 0.73 C ATOM 1529 CZ TYR A 101 -19.912 3.699 -2.177 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.180 3.381 -2.597 1.00 0.65 O ATOM 0 H TYR A 101 -13.835 6.512 -0.314 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.274 5.471 -2.674 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.350 3.759 -0.870 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.018 4.956 0.221 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.699 3.266 -3.050 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.337 5.294 0.319 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.963 2.714 -3.814 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.597 4.746 -0.452 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.835 3.750 -1.969 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.704 7.507 -2.564 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.412 8.795 -2.595 1.00 0.59 C ATOM 1542 C ARG A 102 -16.419 9.957 -2.537 1.00 0.57 C ATOM 1543 O ARG A 102 -16.805 11.098 -2.293 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.405 8.925 -1.423 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.511 7.883 -1.406 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.532 8.127 -2.500 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.686 7.236 -2.375 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.846 7.420 -3.002 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.014 8.454 -3.812 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.842 6.564 -2.812 1.00 2.45 N ATOM 0 H ARG A 102 -16.766 6.978 -3.434 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.968 8.832 -3.532 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -17.851 8.861 -0.487 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -18.859 9.915 -1.458 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.077 6.891 -1.529 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.008 7.896 -0.436 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.867 9.163 -2.460 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.064 7.981 -3.473 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.596 6.421 -1.768 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.252 9.116 -3.959 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -23.905 8.589 -4.289 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -23.718 5.768 -2.187 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -24.732 6.702 -3.291 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.140 9.661 -2.764 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.113 10.678 -2.645 1.00 0.53 C ATOM 1566 C GLY A 103 -13.579 10.742 -1.232 1.00 0.49 C ATOM 1567 O GLY A 103 -12.624 11.465 -0.938 1.00 0.57 O ATOM 0 H GLY A 103 -14.800 8.736 -3.028 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.299 10.461 -3.336 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.522 11.648 -2.928 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.198 9.955 -0.365 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.859 9.924 1.042 1.00 0.44 C ATOM 1573 C GLN A 104 -13.247 8.577 1.399 1.00 0.37 C ATOM 1574 O GLN A 104 -13.830 7.525 1.141 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.116 10.178 1.871 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.780 11.506 1.552 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.170 11.639 2.146 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.029 12.320 1.586 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.407 10.996 3.277 1.00 0.98 N ATOM 0 H GLN A 104 -14.952 9.319 -0.623 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.128 10.702 1.259 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.828 9.371 1.697 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.857 10.153 2.930 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.154 12.316 1.925 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.842 11.623 0.470 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -16.670 10.441 3.712 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.327 11.055 3.714 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.062 8.610 1.964 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.362 7.392 2.330 1.00 0.32 C ATOM 1590 C GLU A 105 -11.895 6.867 3.652 1.00 0.32 C ATOM 1591 O GLU A 105 -11.978 7.605 4.632 1.00 0.43 O ATOM 1592 CB GLU A 105 -9.872 7.681 2.411 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.346 8.330 1.143 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.041 9.059 1.363 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.024 10.052 2.115 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.025 8.641 0.773 1.00 1.59 O ATOM 0 H GLU A 105 -11.558 9.469 2.182 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.528 6.623 1.575 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.676 8.335 3.261 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.332 6.752 2.593 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.207 7.566 0.379 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.089 9.030 0.762 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.277 5.601 3.668 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.899 5.002 4.845 1.00 0.27 C ATOM 1605 C PHE A 106 -11.953 4.040 5.547 1.00 0.26 C ATOM 1606 O PHE A 106 -12.215 3.610 6.664 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.184 4.268 4.454 1.00 0.27 C ATOM 1608 CG PHE A 106 -13.993 3.249 3.365 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.050 3.625 2.035 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.756 1.918 3.671 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -13.874 2.697 1.029 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.580 0.985 2.667 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.639 1.377 1.343 1.00 0.31 C ATOM 0 H PHE A 106 -12.168 4.964 2.879 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.139 5.810 5.536 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.591 3.772 5.335 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.924 4.999 4.129 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.235 4.658 1.781 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.708 1.607 4.704 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -13.921 3.006 -0.005 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.397 -0.050 2.917 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.501 0.650 0.557 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.880 3.666 4.881 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.865 2.840 5.503 1.00 0.24 C ATOM 1625 C ILE A 107 -8.531 3.051 4.811 1.00 0.22 C ATOM 1626 O ILE A 107 -8.466 3.224 3.593 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.236 1.335 5.519 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.194 0.541 6.323 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.370 0.784 4.109 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.386 -0.964 6.260 1.00 0.37 C ATOM 0 H ILE A 107 -10.688 3.920 3.912 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.793 3.152 6.545 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.206 1.228 6.005 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.199 0.786 5.952 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.233 0.859 7.365 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.631 -0.273 4.155 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.152 1.328 3.579 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.424 0.902 3.581 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.613 -1.454 6.851 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.367 -1.223 6.659 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.316 -1.297 5.224 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.481 3.065 5.596 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.144 3.228 5.081 1.00 0.24 C ATOM 1644 C ARG A 108 -5.238 2.146 5.649 1.00 0.24 C ATOM 1645 O ARG A 108 -5.036 2.070 6.864 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.625 4.606 5.463 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.186 4.855 5.067 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.654 6.086 5.764 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.790 5.976 7.215 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.168 6.782 8.073 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.444 7.799 7.623 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.282 6.587 9.380 1.00 0.95 N ATOM 0 H ARG A 108 -7.530 2.964 6.610 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.155 3.138 3.995 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.255 5.362 4.996 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.721 4.733 6.541 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.576 3.990 5.326 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.116 4.982 3.987 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.605 6.228 5.505 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.192 6.967 5.412 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.393 5.244 7.590 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.364 7.963 6.620 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -1.968 8.416 8.281 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.849 5.816 9.733 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -2.803 7.208 10.032 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.720 1.304 4.774 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.822 0.237 5.184 1.00 0.22 C ATOM 1668 C VAL A 109 -2.380 0.720 5.179 1.00 0.24 C ATOM 1669 O VAL A 109 -1.763 0.835 4.127 1.00 0.38 O ATOM 1670 CB VAL A 109 -3.949 -0.992 4.262 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.859 -2.011 4.567 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.328 -1.622 4.396 1.00 0.27 C ATOM 0 H VAL A 109 -4.906 1.338 3.772 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.106 -0.054 6.195 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.823 -0.660 3.231 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -2.968 -2.870 3.905 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.881 -1.555 4.412 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -2.947 -2.338 5.603 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.398 -2.488 3.737 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.485 -1.937 5.428 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.090 -0.893 4.119 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.855 1.008 6.356 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.493 1.480 6.459 1.00 0.25 C ATOM 1684 C GLY A 110 0.488 0.361 6.744 1.00 0.21 C ATOM 1685 O GLY A 110 0.559 -0.139 7.866 1.00 0.27 O ATOM 0 H GLY A 110 -2.348 0.923 7.245 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.213 1.977 5.530 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.429 2.226 7.251 1.00 0.25 H new ATOM 1689 N TYR A 111 1.229 -0.052 5.727 1.00 0.23 N ATOM 1690 CA TYR A 111 2.298 -1.019 5.914 1.00 0.24 C ATOM 1691 C TYR A 111 3.646 -0.317 5.915 1.00 0.23 C ATOM 1692 O TYR A 111 3.995 0.386 4.967 1.00 0.27 O ATOM 1693 CB TYR A 111 2.268 -2.099 4.829 1.00 0.32 C ATOM 1694 CG TYR A 111 1.317 -3.236 5.121 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.467 -4.026 6.251 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.254 -3.507 4.268 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.586 -5.057 6.524 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.633 -4.532 4.534 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.406 -5.353 5.656 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.346 -6.324 5.937 1.00 0.40 O ATOM 0 H TYR A 111 1.110 0.267 4.766 1.00 0.23 H new ATOM 0 HA TYR A 111 2.146 -1.505 6.878 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.989 -1.640 3.881 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.273 -2.502 4.704 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.285 -3.833 6.929 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.119 -2.905 3.381 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.692 -5.628 7.435 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.486 -4.701 3.893 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.482 -6.377 6.906 1.00 0.40 H new ATOM 1710 N TYR A 112 4.389 -0.485 6.993 1.00 0.25 N ATOM 1711 CA TYR A 112 5.712 0.101 7.097 1.00 0.25 C ATOM 1712 C TYR A 112 6.747 -0.831 6.483 1.00 0.27 C ATOM 1713 O TYR A 112 7.019 -1.908 7.008 1.00 0.33 O ATOM 1714 CB TYR A 112 6.057 0.389 8.559 1.00 0.29 C ATOM 1715 CG TYR A 112 5.164 1.432 9.195 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.970 1.073 9.807 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.516 2.776 9.185 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.153 2.022 10.387 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.704 3.732 9.764 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.524 3.350 10.364 1.00 0.64 C ATOM 1721 OH TYR A 112 2.713 4.295 10.948 1.00 0.78 O ATOM 0 H TYR A 112 4.098 -1.023 7.809 1.00 0.25 H new ATOM 0 HA TYR A 112 5.719 1.044 6.550 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.985 -0.537 9.130 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.093 0.722 8.621 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.676 0.034 9.829 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.441 3.079 8.716 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.227 1.726 10.857 1.00 0.62 H new ATOM 0 HE2 TYR A 112 4.992 4.773 9.746 1.00 0.60 H new ATOM 0 HH TYR A 112 3.118 5.182 10.846 1.00 0.78 H new ATOM 1731 N VAL A 113 7.305 -0.425 5.360 1.00 0.27 N ATOM 1732 CA VAL A 113 8.312 -1.220 4.686 1.00 0.31 C ATOM 1733 C VAL A 113 9.713 -0.756 5.063 1.00 0.28 C ATOM 1734 O VAL A 113 10.047 0.424 4.959 1.00 0.31 O ATOM 1735 CB VAL A 113 8.139 -1.188 3.150 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.985 0.235 2.633 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.313 -1.878 2.477 1.00 1.19 C ATOM 0 H VAL A 113 7.077 0.453 4.894 1.00 0.27 H new ATOM 0 HA VAL A 113 8.179 -2.250 5.017 1.00 0.31 H new ATOM 0 HB VAL A 113 7.223 -1.726 2.904 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.866 0.218 1.550 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.107 0.694 3.087 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.872 0.814 2.891 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.181 -1.849 1.395 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.237 -1.365 2.743 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.365 -2.915 2.809 1.00 1.19 H new ATOM 1747 N ASN A 114 10.518 -1.690 5.527 1.00 0.29 N ATOM 1748 CA ASN A 114 11.903 -1.405 5.851 1.00 0.32 C ATOM 1749 C ASN A 114 12.762 -1.693 4.637 1.00 0.32 C ATOM 1750 O ASN A 114 12.940 -2.854 4.268 1.00 0.35 O ATOM 1751 CB ASN A 114 12.382 -2.270 7.026 1.00 0.42 C ATOM 1752 CG ASN A 114 11.509 -2.151 8.265 1.00 0.84 C ATOM 1753 OD1 ASN A 114 11.346 -3.112 9.012 1.00 1.63 O ATOM 1754 ND2 ASN A 114 10.950 -0.975 8.497 1.00 1.28 N ATOM 0 H ASN A 114 10.237 -2.657 5.689 1.00 0.29 H new ATOM 0 HA ASN A 114 11.987 -0.357 6.138 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.410 -3.313 6.711 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.403 -1.987 7.282 1.00 0.42 H new ATOM 0 HD21 ASN A 114 10.361 -0.844 9.319 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.108 -0.199 7.854 1.00 1.28 H new ATOM 1761 N ASN A 115 13.277 -0.657 3.996 1.00 0.34 N ATOM 1762 CA ASN A 115 14.088 -0.868 2.814 1.00 0.39 C ATOM 1763 C ASN A 115 15.555 -0.855 3.189 1.00 0.43 C ATOM 1764 O ASN A 115 16.122 0.184 3.520 1.00 0.50 O ATOM 1765 CB ASN A 115 13.818 0.176 1.724 1.00 0.48 C ATOM 1766 CG ASN A 115 12.354 0.269 1.332 1.00 0.50 C ATOM 1767 OD1 ASN A 115 11.859 -0.532 0.536 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.661 1.270 1.850 1.00 0.60 N ATOM 0 H ASN A 115 13.151 0.318 4.268 1.00 0.34 H new ATOM 0 HA ASN A 115 13.817 -1.841 2.403 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.156 1.152 2.073 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.409 -0.069 0.841 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.682 1.399 1.594 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.106 1.912 2.506 1.00 0.60 H new ATOM 1775 N GLU A 116 16.152 -2.024 3.152 1.00 0.42 N ATOM 1776 CA GLU A 116 17.567 -2.173 3.408 1.00 0.50 C ATOM 1777 C GLU A 116 18.097 -3.303 2.549 1.00 0.45 C ATOM 1778 O GLU A 116 17.335 -4.170 2.129 1.00 0.54 O ATOM 1779 CB GLU A 116 17.841 -2.417 4.896 1.00 0.69 C ATOM 1780 CG GLU A 116 17.133 -3.623 5.485 1.00 1.26 C ATOM 1781 CD GLU A 116 17.414 -3.771 6.965 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.496 -4.284 7.319 1.00 1.97 O ATOM 1783 OE2 GLU A 116 16.565 -3.361 7.782 1.00 1.87 O ATOM 0 H GLU A 116 15.671 -2.899 2.944 1.00 0.42 H new ATOM 0 HA GLU A 116 18.085 -1.250 3.147 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.915 -2.539 5.038 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.544 -1.530 5.456 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.059 -3.527 5.327 1.00 1.26 H new ATOM 0 HG3 GLU A 116 17.453 -4.524 4.962 1.00 1.26 H new ATOM 1790 N TYR A 117 19.386 -3.280 2.275 1.00 0.46 N ATOM 1791 CA TYR A 117 19.980 -4.160 1.284 1.00 0.46 C ATOM 1792 C TYR A 117 19.789 -5.637 1.620 1.00 0.52 C ATOM 1793 O TYR A 117 19.656 -6.019 2.782 1.00 0.60 O ATOM 1794 CB TYR A 117 21.464 -3.843 1.144 1.00 0.48 C ATOM 1795 CG TYR A 117 21.729 -2.378 0.890 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.615 -1.846 -0.387 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.098 -1.530 1.924 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.860 -0.513 -0.629 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.346 -0.192 1.691 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.210 0.318 0.436 1.00 0.60 C ATOM 1801 OH TYR A 117 22.474 1.640 0.170 1.00 0.69 O ATOM 0 H TYR A 117 20.050 -2.654 2.730 1.00 0.46 H new ATOM 0 HA TYR A 117 19.467 -3.981 0.339 1.00 0.46 H new ATOM 0 HB2 TYR A 117 21.983 -4.149 2.052 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.880 -4.430 0.325 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.329 -2.490 -1.206 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.193 -1.922 2.926 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.782 -0.116 -1.630 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.648 0.451 2.505 1.00 0.59 H new ATOM 0 HH TYR A 117 22.704 2.102 1.003 1.00 0.69 H new ATOM 1811 N THR A 118 19.787 -6.454 0.581 1.00 0.54 N ATOM 1812 CA THR A 118 19.662 -7.895 0.728 1.00 0.65 C ATOM 1813 C THR A 118 21.005 -8.472 1.117 1.00 0.74 C ATOM 1814 O THR A 118 21.103 -9.508 1.775 1.00 0.84 O ATOM 1815 CB THR A 118 19.210 -8.556 -0.588 1.00 0.67 C ATOM 1816 OG1 THR A 118 19.990 -8.046 -1.680 1.00 0.66 O ATOM 1817 CG2 THR A 118 17.738 -8.311 -0.858 1.00 0.77 C ATOM 0 H THR A 118 19.872 -6.139 -0.386 1.00 0.54 H new ATOM 0 HA THR A 118 18.914 -8.094 1.496 1.00 0.65 H new ATOM 0 HB THR A 118 19.362 -9.631 -0.492 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.886 -8.442 -1.655 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.455 -8.792 -1.794 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.145 -8.726 -0.043 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.555 -7.239 -0.931 1.00 0.77 H new ATOM 1825 N GLU A 119 22.036 -7.765 0.700 1.00 0.78 N ATOM 1826 CA GLU A 119 23.398 -8.199 0.900 1.00 0.92 C ATOM 1827 C GLU A 119 23.852 -7.816 2.296 1.00 0.95 C ATOM 1828 O GLU A 119 23.810 -6.637 2.655 1.00 0.90 O ATOM 1829 CB GLU A 119 24.299 -7.537 -0.139 1.00 1.00 C ATOM 1830 CG GLU A 119 23.621 -7.370 -1.484 1.00 1.29 C ATOM 1831 CD GLU A 119 23.423 -8.667 -2.236 1.00 1.50 C ATOM 1832 OE1 GLU A 119 24.327 -9.056 -3.001 1.00 1.67 O ATOM 1833 OE2 GLU A 119 22.346 -9.283 -2.095 1.00 2.24 O ATOM 0 H GLU A 119 21.950 -6.873 0.213 1.00 0.78 H new ATOM 0 HA GLU A 119 23.457 -9.282 0.789 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.612 -6.560 0.228 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.202 -8.135 -0.264 1.00 1.00 H new ATOM 0 HG2 GLU A 119 22.651 -6.896 -1.334 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.215 -6.693 -2.098 1.00 1.29 H new ATOM 1840 N THR A 120 24.274 -8.799 3.080 1.00 1.07 N ATOM 1841 CA THR A 120 24.783 -8.550 4.420 1.00 1.14 C ATOM 1842 C THR A 120 25.896 -7.507 4.368 1.00 1.12 C ATOM 1843 O THR A 120 25.975 -6.620 5.217 1.00 1.13 O ATOM 1844 CB THR A 120 25.324 -9.846 5.050 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.398 -10.916 4.820 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.547 -9.678 6.547 1.00 1.41 C ATOM 0 H THR A 120 24.273 -9.782 2.808 1.00 1.07 H new ATOM 0 HA THR A 120 23.962 -8.179 5.033 1.00 1.14 H new ATOM 0 HB THR A 120 26.282 -10.078 4.585 1.00 1.31 H new ATOM 0 HG1 THR A 120 24.745 -11.741 5.220 1.00 1.36 H new ATOM 0 HG21 THR A 120 25.929 -10.609 6.965 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.269 -8.880 6.720 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.603 -9.425 7.029 1.00 1.41 H new ATOM 1854 N GLU A 121 26.720 -7.603 3.331 1.00 1.13 N ATOM 1855 CA GLU A 121 27.812 -6.666 3.107 1.00 1.14 C ATOM 1856 C GLU A 121 27.306 -5.225 3.047 1.00 1.03 C ATOM 1857 O GLU A 121 27.898 -4.324 3.646 1.00 1.09 O ATOM 1858 CB GLU A 121 28.527 -7.014 1.800 1.00 1.18 C ATOM 1859 CG GLU A 121 29.739 -6.146 1.507 1.00 1.27 C ATOM 1860 CD GLU A 121 30.878 -6.393 2.471 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.621 -7.376 2.272 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.036 -5.607 3.426 1.00 2.05 O ATOM 0 H GLU A 121 26.649 -8.333 2.622 1.00 1.13 H new ATOM 0 HA GLU A 121 28.506 -6.747 3.944 1.00 1.14 H new ATOM 0 HB2 GLU A 121 28.841 -8.057 1.836 1.00 1.18 H new ATOM 0 HB3 GLU A 121 27.820 -6.922 0.976 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.081 -6.337 0.490 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.449 -5.096 1.554 1.00 1.27 H new ATOM 1869 N LEU A 122 26.192 -5.007 2.349 1.00 0.90 N ATOM 1870 CA LEU A 122 25.696 -3.659 2.143 1.00 0.82 C ATOM 1871 C LEU A 122 24.876 -3.197 3.339 1.00 0.82 C ATOM 1872 O LEU A 122 24.711 -1.999 3.560 1.00 0.83 O ATOM 1873 CB LEU A 122 24.873 -3.585 0.858 1.00 0.75 C ATOM 1874 CG LEU A 122 25.642 -3.915 -0.425 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.730 -3.803 -1.638 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.848 -3.001 -0.576 1.00 0.87 C ATOM 0 H LEU A 122 25.626 -5.741 1.924 1.00 0.90 H new ATOM 0 HA LEU A 122 26.550 -2.989 2.042 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.030 -4.271 0.945 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.459 -2.581 0.767 1.00 0.75 H new ATOM 0 HG LEU A 122 25.998 -4.943 -0.357 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.294 -4.041 -2.540 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.899 -4.501 -1.534 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.343 -2.787 -1.710 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.381 -3.251 -1.493 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.515 -1.964 -0.621 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.513 -3.132 0.278 1.00 0.87 H new ATOM 1888 N ARG A 123 24.364 -4.148 4.112 1.00 0.86 N ATOM 1889 CA ARG A 123 23.677 -3.820 5.355 1.00 0.94 C ATOM 1890 C ARG A 123 24.685 -3.333 6.382 1.00 1.11 C ATOM 1891 O ARG A 123 24.433 -2.387 7.130 1.00 1.19 O ATOM 1892 CB ARG A 123 22.937 -5.031 5.916 1.00 0.98 C ATOM 1893 CG ARG A 123 21.878 -5.594 4.989 1.00 0.89 C ATOM 1894 CD ARG A 123 21.071 -6.679 5.678 1.00 1.00 C ATOM 1895 NE ARG A 123 20.334 -6.158 6.827 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.478 -6.599 8.074 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.273 -7.632 8.336 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.800 -6.018 9.053 1.00 2.03 N ATOM 0 H ARG A 123 24.411 -5.145 3.902 1.00 0.86 H new ATOM 0 HA ARG A 123 22.949 -3.038 5.141 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.661 -5.814 6.140 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.467 -4.751 6.859 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.214 -4.794 4.662 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.351 -6.000 4.095 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.372 -7.120 4.967 1.00 1.00 H new ATOM 0 HD3 ARG A 123 21.738 -7.476 6.005 1.00 1.00 H new ATOM 0 HE ARG A 123 19.665 -5.406 6.662 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.778 -8.092 7.578 1.00 1.82 H new ATOM 0 HH12 ARG A 123 21.378 -7.964 9.295 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.174 -5.239 8.848 1.00 2.03 H new ATOM 0 HH22 ARG A 123 19.904 -6.349 10.012 1.00 2.03 H new ATOM 1912 N GLU A 124 25.826 -4.006 6.407 1.00 1.20 N ATOM 1913 CA GLU A 124 26.919 -3.650 7.299 1.00 1.39 C ATOM 1914 C GLU A 124 27.561 -2.338 6.869 1.00 1.37 C ATOM 1915 O GLU A 124 27.918 -1.509 7.704 1.00 1.49 O ATOM 1916 CB GLU A 124 27.981 -4.750 7.310 1.00 1.53 C ATOM 1917 CG GLU A 124 27.485 -6.085 7.838 1.00 1.66 C ATOM 1918 CD GLU A 124 26.964 -5.989 9.252 1.00 2.03 C ATOM 1919 OE1 GLU A 124 27.763 -5.690 10.162 1.00 2.06 O ATOM 1920 OE2 GLU A 124 25.752 -6.202 9.460 1.00 2.84 O ATOM 0 H GLU A 124 26.020 -4.811 5.812 1.00 1.20 H new ATOM 0 HA GLU A 124 26.507 -3.534 8.302 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.355 -4.889 6.296 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.823 -4.421 7.918 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.694 -6.459 7.187 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.297 -6.811 7.802 1.00 1.66 H new ATOM 1927 N ASN A 125 27.705 -2.146 5.562 1.00 1.27 N ATOM 1928 CA ASN A 125 28.371 -0.960 5.047 1.00 1.30 C ATOM 1929 C ASN A 125 27.507 -0.265 4.006 1.00 1.14 C ATOM 1930 O ASN A 125 27.694 -0.471 2.804 1.00 1.10 O ATOM 1931 CB ASN A 125 29.729 -1.317 4.426 1.00 1.45 C ATOM 1932 CG ASN A 125 30.633 -2.078 5.373 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.386 -1.485 6.145 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.580 -3.399 5.304 1.00 1.62 N ATOM 0 H ASN A 125 27.372 -2.792 4.847 1.00 1.27 H new ATOM 0 HA ASN A 125 28.533 -0.284 5.887 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.566 -1.915 3.529 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.230 -0.401 4.112 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.178 -3.966 5.905 1.00 1.62 H new ATOM 0 HD22 ASN A 125 29.941 -3.850 4.649 1.00 1.62 H new ATOM 1941 N PRO A 126 26.508 0.514 4.452 1.00 1.13 N ATOM 1942 CA PRO A 126 25.699 1.347 3.561 1.00 1.06 C ATOM 1943 C PRO A 126 26.558 2.309 2.751 1.00 1.09 C ATOM 1944 O PRO A 126 27.264 3.152 3.310 1.00 1.19 O ATOM 1945 CB PRO A 126 24.780 2.119 4.511 1.00 1.15 C ATOM 1946 CG PRO A 126 24.716 1.280 5.738 1.00 1.23 C ATOM 1947 CD PRO A 126 26.056 0.609 5.850 1.00 1.24 C ATOM 0 HA PRO A 126 25.156 0.751 2.828 1.00 1.06 H new ATOM 0 HB2 PRO A 126 25.178 3.110 4.729 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.791 2.261 4.076 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.510 1.890 6.618 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.915 0.544 5.666 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.748 1.192 6.457 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.976 -0.374 6.314 1.00 1.24 H new ATOM 1955 N PRO A 127 26.534 2.168 1.422 1.00 1.05 N ATOM 1956 CA PRO A 127 27.293 3.031 0.516 1.00 1.13 C ATOM 1957 C PRO A 127 26.738 4.456 0.480 1.00 1.19 C ATOM 1958 O PRO A 127 25.607 4.700 0.909 1.00 1.14 O ATOM 1959 CB PRO A 127 27.139 2.343 -0.852 1.00 1.11 C ATOM 1960 CG PRO A 127 26.625 0.975 -0.540 1.00 1.01 C ATOM 1961 CD PRO A 127 25.787 1.141 0.687 1.00 0.97 C ATOM 0 HA PRO A 127 28.332 3.142 0.826 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.446 2.889 -1.493 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.091 2.296 -1.380 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.037 0.577 -1.367 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.444 0.277 -0.366 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.773 1.464 0.450 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.702 0.213 1.253 1.00 0.97 H new ATOM 1969 N VAL A 128 27.539 5.386 -0.036 1.00 1.34 N ATOM 1970 CA VAL A 128 27.159 6.799 -0.095 1.00 1.44 C ATOM 1971 C VAL A 128 25.880 6.996 -0.919 1.00 1.22 C ATOM 1972 O VAL A 128 25.156 7.976 -0.743 1.00 1.28 O ATOM 1973 CB VAL A 128 28.305 7.663 -0.677 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.590 7.298 -2.128 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.992 9.149 -0.544 1.00 2.16 C ATOM 0 H VAL A 128 28.462 5.186 -0.422 1.00 1.34 H new ATOM 0 HA VAL A 128 26.965 7.125 0.927 1.00 1.44 H new ATOM 0 HB VAL A 128 29.203 7.453 -0.097 1.00 1.71 H new ATOM 0 HG11 VAL A 128 29.399 7.922 -2.508 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.881 6.249 -2.189 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.694 7.461 -2.727 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.813 9.732 -0.960 1.00 2.16 H new ATOM 0 HG22 VAL A 128 27.074 9.377 -1.085 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.865 9.401 0.509 1.00 2.16 H new ATOM 1985 N LYS A 129 25.609 6.057 -1.814 1.00 1.07 N ATOM 1986 CA LYS A 129 24.383 6.073 -2.590 1.00 0.88 C ATOM 1987 C LYS A 129 23.716 4.708 -2.547 1.00 0.76 C ATOM 1988 O LYS A 129 24.312 3.704 -2.937 1.00 0.80 O ATOM 1989 CB LYS A 129 24.648 6.487 -4.040 1.00 1.00 C ATOM 1990 CG LYS A 129 24.710 7.990 -4.245 1.00 1.12 C ATOM 1991 CD LYS A 129 23.378 8.646 -3.917 1.00 1.29 C ATOM 1992 CE LYS A 129 23.391 10.134 -4.224 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.378 10.874 -3.390 1.00 1.96 N ATOM 0 H LYS A 129 26.227 5.272 -2.019 1.00 1.07 H new ATOM 0 HA LYS A 129 23.714 6.811 -2.147 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.589 6.046 -4.368 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.864 6.075 -4.675 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.492 8.414 -3.615 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.981 8.208 -5.278 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.585 8.164 -4.489 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.148 8.494 -2.862 1.00 1.29 H new ATOM 0 HE2 LYS A 129 23.625 10.283 -5.278 1.00 1.46 H new ATOM 0 HE3 LYS A 129 22.396 10.546 -4.057 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 24.269 11.896 -3.548 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 24.214 10.659 -2.386 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 25.341 10.584 -3.653 1.00 1.96 H new ATOM 2007 N PRO A 130 22.481 4.658 -2.028 1.00 0.66 N ATOM 2008 CA PRO A 130 21.679 3.435 -1.992 1.00 0.57 C ATOM 2009 C PRO A 130 21.408 2.867 -3.376 1.00 0.52 C ATOM 2010 O PRO A 130 21.599 3.538 -4.393 1.00 0.64 O ATOM 2011 CB PRO A 130 20.361 3.871 -1.344 1.00 0.55 C ATOM 2012 CG PRO A 130 20.348 5.357 -1.435 1.00 0.64 C ATOM 2013 CD PRO A 130 21.783 5.787 -1.403 1.00 0.71 C ATOM 0 HA PRO A 130 22.198 2.644 -1.450 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.506 3.438 -1.863 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.305 3.540 -0.307 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.862 5.687 -2.353 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.792 5.794 -0.606 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.939 6.714 -1.956 1.00 0.71 H new ATOM 0 HD3 PRO A 130 22.129 5.961 -0.384 1.00 0.71 H new ATOM 2021 N ASP A 131 20.931 1.636 -3.403 1.00 0.45 N ATOM 2022 CA ASP A 131 20.655 0.963 -4.660 1.00 0.45 C ATOM 2023 C ASP A 131 19.391 0.139 -4.550 1.00 0.39 C ATOM 2024 O ASP A 131 19.301 -0.785 -3.743 1.00 0.39 O ATOM 2025 CB ASP A 131 21.822 0.077 -5.099 1.00 0.53 C ATOM 2026 CG ASP A 131 21.499 -0.695 -6.367 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.129 -0.064 -7.385 1.00 1.06 O ATOM 2028 OD2 ASP A 131 21.607 -1.934 -6.352 1.00 1.28 O ATOM 0 H ASP A 131 20.727 1.082 -2.571 1.00 0.45 H new ATOM 0 HA ASP A 131 20.518 1.733 -5.419 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.705 0.695 -5.264 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.068 -0.623 -4.300 1.00 0.53 H new ATOM 2033 N PHE A 132 18.423 0.485 -5.372 1.00 0.38 N ATOM 2034 CA PHE A 132 17.119 -0.152 -5.347 1.00 0.35 C ATOM 2035 C PHE A 132 17.196 -1.574 -5.896 1.00 0.37 C ATOM 2036 O PHE A 132 16.318 -2.398 -5.644 1.00 0.38 O ATOM 2037 CB PHE A 132 16.127 0.689 -6.153 1.00 0.38 C ATOM 2038 CG PHE A 132 15.943 2.081 -5.607 1.00 0.38 C ATOM 2039 CD1 PHE A 132 16.887 3.069 -5.843 1.00 0.46 C ATOM 2040 CD2 PHE A 132 14.817 2.404 -4.869 1.00 0.35 C ATOM 2041 CE1 PHE A 132 16.708 4.344 -5.351 1.00 0.50 C ATOM 2042 CE2 PHE A 132 14.632 3.679 -4.379 1.00 0.40 C ATOM 2043 CZ PHE A 132 15.631 4.644 -4.582 1.00 0.46 C ATOM 0 H PHE A 132 18.516 1.216 -6.077 1.00 0.38 H new ATOM 0 HA PHE A 132 16.776 -0.217 -4.315 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.471 0.754 -7.185 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.162 0.183 -6.170 1.00 0.38 H new ATOM 0 HD1 PHE A 132 17.771 2.837 -6.418 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.073 1.646 -4.674 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.432 5.112 -5.580 1.00 0.50 H new ATOM 0 HE2 PHE A 132 13.728 3.933 -3.845 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.543 5.620 -4.128 1.00 0.46 H new ATOM 2053 N SER A 133 18.261 -1.855 -6.630 1.00 0.42 N ATOM 2054 CA SER A 133 18.479 -3.173 -7.208 1.00 0.47 C ATOM 2055 C SER A 133 18.981 -4.162 -6.156 1.00 0.48 C ATOM 2056 O SER A 133 18.900 -5.375 -6.343 1.00 0.62 O ATOM 2057 CB SER A 133 19.493 -3.067 -8.342 1.00 0.54 C ATOM 2058 OG SER A 133 19.392 -1.808 -8.989 1.00 1.46 O ATOM 0 H SER A 133 18.996 -1.180 -6.842 1.00 0.42 H new ATOM 0 HA SER A 133 17.529 -3.543 -7.593 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.501 -3.200 -7.949 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.324 -3.867 -9.063 1.00 0.54 H new ATOM 0 HG SER A 133 19.994 -1.168 -8.555 1.00 1.46 H new ATOM 2064 N LYS A 134 19.488 -3.638 -5.048 1.00 0.40 N ATOM 2065 CA LYS A 134 20.031 -4.466 -3.980 1.00 0.43 C ATOM 2066 C LYS A 134 19.222 -4.249 -2.722 1.00 0.39 C ATOM 2067 O LYS A 134 19.548 -4.764 -1.653 1.00 0.46 O ATOM 2068 CB LYS A 134 21.499 -4.116 -3.714 1.00 0.48 C ATOM 2069 CG LYS A 134 22.466 -4.662 -4.753 1.00 0.65 C ATOM 2070 CD LYS A 134 22.537 -6.179 -4.703 1.00 0.78 C ATOM 2071 CE LYS A 134 23.547 -6.726 -5.697 1.00 1.00 C ATOM 2072 NZ LYS A 134 23.702 -8.202 -5.575 1.00 1.87 N ATOM 0 H LYS A 134 19.534 -2.636 -4.865 1.00 0.40 H new ATOM 0 HA LYS A 134 19.976 -5.512 -4.283 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.601 -3.032 -3.673 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.781 -4.500 -2.734 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.152 -4.344 -5.747 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.458 -4.244 -4.583 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.807 -6.498 -3.696 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.553 -6.597 -4.916 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.231 -6.477 -6.710 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.512 -6.245 -5.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 24.279 -8.557 -6.364 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.170 -8.429 -4.674 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 22.765 -8.653 -5.602 1.00 1.87 H new ATOM 2086 N LEU A 135 18.162 -3.482 -2.872 1.00 0.41 N ATOM 2087 CA LEU A 135 17.355 -3.063 -1.753 1.00 0.40 C ATOM 2088 C LEU A 135 16.214 -4.042 -1.530 1.00 0.41 C ATOM 2089 O LEU A 135 15.469 -4.367 -2.457 1.00 0.46 O ATOM 2090 CB LEU A 135 16.813 -1.660 -2.016 1.00 0.41 C ATOM 2091 CG LEU A 135 16.357 -0.902 -0.789 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.527 -0.686 0.161 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.740 0.424 -1.200 1.00 0.74 C ATOM 0 H LEU A 135 17.839 -3.133 -3.774 1.00 0.41 H new ATOM 0 HA LEU A 135 17.969 -3.045 -0.852 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.587 -1.077 -2.516 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.974 -1.736 -2.708 1.00 0.41 H new ATOM 0 HG LEU A 135 15.600 -1.488 -0.267 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.186 -0.139 1.040 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.930 -1.651 0.468 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.304 -0.112 -0.344 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.414 0.965 -0.311 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.480 1.019 -1.736 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.883 0.241 -1.848 1.00 0.74 H new ATOM 2105 N GLN A 136 16.092 -4.522 -0.307 1.00 0.40 N ATOM 2106 CA GLN A 136 15.037 -5.450 0.047 1.00 0.41 C ATOM 2107 C GLN A 136 13.942 -4.726 0.805 1.00 0.38 C ATOM 2108 O GLN A 136 14.213 -3.997 1.762 1.00 0.44 O ATOM 2109 CB GLN A 136 15.575 -6.596 0.905 1.00 0.46 C ATOM 2110 CG GLN A 136 14.524 -7.644 1.228 1.00 0.58 C ATOM 2111 CD GLN A 136 15.029 -8.723 2.163 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.526 -9.760 1.727 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.915 -8.481 3.459 1.00 0.72 N ATOM 0 H GLN A 136 16.716 -4.282 0.463 1.00 0.40 H new ATOM 0 HA GLN A 136 14.633 -5.867 -0.876 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.406 -7.072 0.385 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.972 -6.190 1.835 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.660 -7.156 1.679 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.182 -8.105 0.301 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.497 -7.608 3.780 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.246 -9.168 4.137 1.00 0.72 H new ATOM 2122 N ARG A 137 12.713 -4.923 0.377 1.00 0.36 N ATOM 2123 CA ARG A 137 11.583 -4.353 1.070 1.00 0.35 C ATOM 2124 C ARG A 137 11.103 -5.317 2.136 1.00 0.35 C ATOM 2125 O ARG A 137 10.518 -6.363 1.823 1.00 0.39 O ATOM 2126 CB ARG A 137 10.436 -4.046 0.111 1.00 0.43 C ATOM 2127 CG ARG A 137 10.811 -3.113 -1.026 1.00 1.02 C ATOM 2128 CD ARG A 137 9.571 -2.597 -1.735 1.00 1.29 C ATOM 2129 NE ARG A 137 8.632 -3.676 -2.049 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.282 -4.020 -3.280 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.782 -3.363 -4.311 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.424 -5.015 -3.476 1.00 2.05 N ATOM 0 H ARG A 137 12.474 -5.474 -0.447 1.00 0.36 H new ATOM 0 HA ARG A 137 11.905 -3.417 1.527 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.067 -4.982 -0.308 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.615 -3.603 0.674 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.388 -2.274 -0.638 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.449 -3.638 -1.737 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.076 -1.856 -1.107 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.863 -2.091 -2.655 1.00 1.29 H new ATOM 0 HE ARG A 137 8.222 -4.195 -1.272 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.435 -2.594 -4.158 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.515 -3.624 -5.260 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.033 -5.516 -2.678 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.156 -5.278 -4.424 1.00 2.05 H new ATOM 2146 N ASN A 138 11.382 -4.986 3.386 1.00 0.35 N ATOM 2147 CA ASN A 138 10.876 -5.761 4.501 1.00 0.39 C ATOM 2148 C ASN A 138 9.596 -5.130 5.009 1.00 0.39 C ATOM 2149 O ASN A 138 9.610 -4.270 5.888 1.00 0.49 O ATOM 2150 CB ASN A 138 11.902 -5.868 5.631 1.00 0.45 C ATOM 2151 CG ASN A 138 11.465 -6.847 6.706 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.774 -8.038 6.640 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.741 -6.359 7.700 1.00 0.67 N ATOM 0 H ASN A 138 11.956 -4.186 3.651 1.00 0.35 H new ATOM 0 HA ASN A 138 10.675 -6.774 4.151 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.861 -6.184 5.221 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.054 -4.885 6.076 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.419 -6.975 8.446 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.505 -5.367 7.720 1.00 0.67 H new ATOM 2160 N ILE A 139 8.501 -5.533 4.407 1.00 0.37 N ATOM 2161 CA ILE A 139 7.192 -5.018 4.746 1.00 0.36 C ATOM 2162 C ILE A 139 6.748 -5.556 6.097 1.00 0.37 C ATOM 2163 O ILE A 139 6.609 -6.764 6.284 1.00 0.46 O ATOM 2164 CB ILE A 139 6.183 -5.413 3.651 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.680 -4.901 2.299 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.790 -4.887 3.958 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.839 -5.345 1.124 1.00 0.48 C ATOM 0 H ILE A 139 8.492 -6.231 3.664 1.00 0.37 H new ATOM 0 HA ILE A 139 7.240 -3.931 4.810 1.00 0.36 H new ATOM 0 HB ILE A 139 6.109 -6.500 3.618 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.706 -3.812 2.322 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.704 -5.241 2.148 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.105 -5.185 3.164 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.446 -5.299 4.907 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.818 -3.799 4.024 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.258 -4.940 0.203 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.833 -6.434 1.072 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.819 -4.982 1.249 1.00 0.48 H new ATOM 2179 N LEU A 140 6.555 -4.659 7.047 1.00 0.35 N ATOM 2180 CA LEU A 140 6.120 -5.054 8.376 1.00 0.39 C ATOM 2181 C LEU A 140 4.651 -5.454 8.370 1.00 0.36 C ATOM 2182 O LEU A 140 3.778 -4.674 8.744 1.00 0.37 O ATOM 2183 CB LEU A 140 6.361 -3.931 9.390 1.00 0.47 C ATOM 2184 CG LEU A 140 7.828 -3.609 9.677 1.00 0.54 C ATOM 2185 CD1 LEU A 140 7.931 -2.471 10.677 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.556 -4.840 10.198 1.00 0.99 C ATOM 0 H LEU A 140 6.692 -3.656 6.925 1.00 0.35 H new ATOM 0 HA LEU A 140 6.712 -5.919 8.675 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.872 -3.027 9.028 1.00 0.47 H new ATOM 0 HB3 LEU A 140 5.876 -4.201 10.328 1.00 0.47 H new ATOM 0 HG LEU A 140 8.302 -3.300 8.745 1.00 0.54 H new ATOM 0 HD11 LEU A 140 8.981 -2.252 10.872 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.445 -1.584 10.270 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.441 -2.759 11.607 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.598 -4.590 10.396 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.083 -5.180 11.119 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.509 -5.633 9.452 1.00 0.99 H new ATOM 2198 N ALA A 141 4.386 -6.673 7.921 1.00 0.39 N ATOM 2199 CA ALA A 141 3.040 -7.219 7.938 1.00 0.42 C ATOM 2200 C ALA A 141 2.661 -7.611 9.358 1.00 0.49 C ATOM 2201 O ALA A 141 1.496 -7.852 9.663 1.00 0.55 O ATOM 2202 CB ALA A 141 2.933 -8.409 7.001 1.00 0.48 C ATOM 0 H ALA A 141 5.091 -7.304 7.539 1.00 0.39 H new ATOM 0 HA ALA A 141 2.344 -6.456 7.589 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.917 -8.803 7.028 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.173 -8.095 5.985 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.632 -9.184 7.316 1.00 0.48 H new ATOM 2208 N SER A 142 3.671 -7.665 10.221 1.00 0.52 N ATOM 2209 CA SER A 142 3.467 -7.939 11.632 1.00 0.62 C ATOM 2210 C SER A 142 2.821 -6.736 12.318 1.00 0.61 C ATOM 2211 O SER A 142 2.251 -6.858 13.401 1.00 0.70 O ATOM 2212 CB SER A 142 4.805 -8.266 12.293 1.00 0.72 C ATOM 2213 OG SER A 142 5.538 -9.204 11.518 1.00 1.42 O ATOM 0 H SER A 142 4.646 -7.521 9.960 1.00 0.52 H new ATOM 0 HA SER A 142 2.800 -8.795 11.734 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.388 -7.353 12.413 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.633 -8.668 13.291 1.00 0.72 H new ATOM 0 HG SER A 142 6.391 -9.397 11.959 1.00 1.42 H new ATOM 2219 N ASN A 143 2.906 -5.576 11.675 1.00 0.56 N ATOM 2220 CA ASN A 143 2.304 -4.361 12.207 1.00 0.60 C ATOM 2221 C ASN A 143 1.504 -3.648 11.121 1.00 0.49 C ATOM 2222 O ASN A 143 2.006 -2.742 10.454 1.00 0.49 O ATOM 2223 CB ASN A 143 3.375 -3.426 12.782 1.00 0.74 C ATOM 2224 CG ASN A 143 2.784 -2.198 13.457 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.594 -1.152 12.832 1.00 1.87 O ATOM 2226 ND2 ASN A 143 2.495 -2.317 14.744 1.00 1.91 N ATOM 0 H ASN A 143 3.387 -5.453 10.784 1.00 0.56 H new ATOM 0 HA ASN A 143 1.628 -4.641 13.015 1.00 0.60 H new ATOM 0 HB2 ASN A 143 3.981 -3.975 13.503 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.042 -3.109 11.981 1.00 0.74 H new ATOM 0 HD21 ASN A 143 2.101 -1.526 15.253 1.00 1.91 H new ATOM 0 HD22 ASN A 143 2.667 -3.199 15.226 1.00 1.91 H new ATOM 2233 N PRO A 144 0.263 -4.088 10.887 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.635 -3.446 9.942 1.00 0.43 C ATOM 2235 C PRO A 144 -1.299 -2.228 10.566 1.00 0.39 C ATOM 2236 O PRO A 144 -2.124 -2.353 11.476 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.683 -4.526 9.628 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.292 -5.733 10.426 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.369 -5.251 11.508 1.00 0.60 C ATOM 0 HA PRO A 144 -0.115 -3.089 9.053 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.683 -4.188 9.898 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.701 -4.753 8.562 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.171 -6.216 10.853 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.797 -6.471 9.795 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.911 -4.983 12.415 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.362 -6.010 11.786 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.925 -1.050 10.101 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.475 0.181 10.635 1.00 0.33 C ATOM 2249 C ARG A 145 -2.822 0.461 9.984 1.00 0.30 C ATOM 2250 O ARG A 145 -2.917 1.201 9.005 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.504 1.340 10.401 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.751 2.549 11.288 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.562 2.213 12.760 1.00 1.21 C ATOM 2254 NE ARG A 145 0.740 1.599 13.031 1.00 1.63 N ATOM 2255 CZ ARG A 145 1.505 1.897 14.083 1.00 2.42 C ATOM 2256 NH1 ARG A 145 1.126 2.823 14.960 1.00 3.00 N ATOM 2257 NH2 ARG A 145 2.652 1.259 14.261 1.00 3.15 N ATOM 0 H ARG A 145 -0.242 -0.920 9.354 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.621 0.076 11.710 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.514 0.985 10.565 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.570 1.649 9.358 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.069 3.352 11.007 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -1.763 2.919 11.126 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -0.662 3.122 13.353 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.354 1.535 13.080 1.00 1.21 H new ATOM 0 HE ARG A 145 1.084 0.899 12.374 1.00 1.63 H new ATOM 0 HH11 ARG A 145 0.241 3.315 14.832 1.00 3.00 H new ATOM 0 HH12 ARG A 145 1.720 3.041 15.760 1.00 3.00 H new ATOM 0 HH21 ARG A 145 2.946 0.544 13.596 1.00 3.15 H new ATOM 0 HH22 ARG A 145 3.241 1.483 15.063 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.852 -0.184 10.503 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.191 -0.044 9.964 1.00 0.39 C ATOM 2273 C VAL A 146 -5.893 1.150 10.588 1.00 0.40 C ATOM 2274 O VAL A 146 -6.280 1.122 11.757 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.035 -1.316 10.195 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.427 -1.160 9.598 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.339 -2.536 9.608 1.00 1.11 C ATOM 0 H VAL A 146 -3.784 -0.814 11.303 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.093 0.111 8.890 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.139 -1.461 11.270 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.002 -2.069 9.774 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.931 -0.315 10.067 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.345 -0.984 8.525 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.950 -3.422 9.781 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.200 -2.395 8.536 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.368 -2.666 10.086 1.00 1.11 H new ATOM 2287 N THR A 147 -6.019 2.210 9.815 1.00 0.40 N ATOM 2288 CA THR A 147 -6.765 3.378 10.238 1.00 0.42 C ATOM 2289 C THR A 147 -8.036 3.487 9.419 1.00 0.35 C ATOM 2290 O THR A 147 -7.982 3.742 8.218 1.00 0.33 O ATOM 2291 CB THR A 147 -5.942 4.666 10.060 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.626 4.488 10.600 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.621 5.843 10.748 1.00 0.52 C ATOM 0 H THR A 147 -5.611 2.286 8.883 1.00 0.40 H new ATOM 0 HA THR A 147 -7.001 3.263 11.296 1.00 0.42 H new ATOM 0 HB THR A 147 -5.871 4.879 8.993 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.068 4.012 9.951 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.021 6.742 10.608 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.610 5.996 10.316 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.719 5.634 11.813 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.175 3.274 10.049 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.426 3.338 9.328 1.00 0.34 C ATOM 2303 C ARG A 148 -11.284 4.491 9.819 1.00 0.37 C ATOM 2304 O ARG A 148 -11.389 4.761 11.019 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.184 2.008 9.374 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.538 1.502 10.763 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.263 0.170 10.663 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.669 -0.360 11.962 1.00 1.48 N ATOM 2309 CZ ARG A 148 -13.132 -1.595 12.140 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.218 -2.427 11.108 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -13.508 -1.995 13.348 1.00 3.00 N ATOM 0 H ARG A 148 -9.258 3.059 11.043 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.187 3.527 8.281 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.105 2.115 8.800 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.582 1.250 8.873 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.633 1.388 11.359 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.167 2.230 11.275 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.145 0.290 10.034 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.615 -0.554 10.169 1.00 0.88 H new ATOM 0 HE ARG A 148 -12.594 0.249 12.777 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -12.929 -2.119 10.179 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -13.573 -3.374 11.244 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -13.442 -1.356 14.140 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -13.863 -2.942 13.484 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.894 5.148 8.859 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.587 6.402 9.058 1.00 0.36 C ATOM 2327 C PHE A 149 -14.096 6.195 9.042 1.00 0.38 C ATOM 2328 O PHE A 149 -14.587 5.151 8.610 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.196 7.353 7.923 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.712 7.440 7.682 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -10.079 6.584 6.796 1.00 0.33 C ATOM 2332 CD2 PHE A 149 -9.947 8.383 8.352 1.00 0.43 C ATOM 2333 CE1 PHE A 149 -8.714 6.670 6.585 1.00 0.34 C ATOM 2334 CE2 PHE A 149 -8.589 8.473 8.146 1.00 0.46 C ATOM 2335 CZ PHE A 149 -7.978 7.584 7.211 1.00 0.40 C ATOM 0 H PHE A 149 -11.923 4.818 7.894 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.308 6.818 10.026 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.685 7.027 7.005 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.576 8.349 8.150 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.656 5.842 6.265 1.00 0.33 H new ATOM 0 HD2 PHE A 149 -10.425 9.058 9.047 1.00 0.43 H new ATOM 0 HE1 PHE A 149 -8.238 5.983 5.900 1.00 0.34 H new ATOM 0 HE2 PHE A 149 -7.998 9.201 8.681 1.00 0.46 H new ATOM 0 HZ PHE A 149 -6.919 7.654 7.012 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.827 7.189 9.517 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.277 7.183 9.419 1.00 0.51 C ATOM 2347 C HIS A 150 -16.716 8.136 8.320 1.00 0.52 C ATOM 2348 O HIS A 150 -16.583 9.352 8.454 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.929 7.570 10.750 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.904 6.472 11.767 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -16.709 6.691 13.111 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -17.066 5.136 11.626 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -16.755 5.541 13.753 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -16.970 4.578 12.875 1.00 2.73 N ATOM 0 H HIS A 150 -14.439 8.013 9.976 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.601 6.171 9.175 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.418 8.443 11.156 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.963 7.863 10.568 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -17.239 4.607 10.701 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -16.637 5.408 14.818 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -17.051 3.584 13.090 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.229 7.584 7.234 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.627 8.382 6.091 1.00 0.50 C ATOM 2365 C ILE A 151 -19.080 8.132 5.754 1.00 0.49 C ATOM 2366 O ILE A 151 -19.779 7.409 6.464 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.784 8.071 4.833 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.986 6.622 4.385 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.314 8.347 5.097 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.523 6.357 2.967 1.00 0.64 C ATOM 0 H ILE A 151 -17.380 6.581 7.121 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.467 9.423 6.373 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.121 8.724 4.028 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.447 5.962 5.064 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.043 6.369 4.467 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.735 8.123 4.201 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.182 9.396 5.361 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.968 7.720 5.919 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.697 5.310 2.717 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.080 6.992 2.278 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.459 6.578 2.884 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.527 8.727 4.668 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.847 8.448 4.157 1.00 0.51 C ATOM 2384 C ASN A 152 -20.724 7.636 2.877 1.00 0.49 C ATOM 2385 O ASN A 152 -20.081 8.051 1.913 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.655 9.736 3.938 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.108 10.638 2.843 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -21.416 10.471 1.663 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -20.343 11.641 3.232 1.00 1.33 N ATOM 0 H ASN A 152 -18.994 9.406 4.124 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.397 7.865 4.895 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.683 9.469 3.693 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.685 10.296 4.873 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -19.988 12.307 2.546 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -20.107 11.750 4.218 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.289 6.448 2.904 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.276 5.565 1.752 1.00 0.59 C ATOM 2398 C TRP A 153 -22.417 5.922 0.818 1.00 0.72 C ATOM 2399 O TRP A 153 -22.483 5.463 -0.323 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.382 4.110 2.204 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.183 3.650 2.972 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.817 4.037 4.228 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.195 2.714 2.536 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.655 3.408 4.594 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.255 2.588 3.573 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.012 1.970 1.365 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.150 1.754 3.476 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.912 1.139 1.271 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.996 1.037 2.323 1.00 0.53 C ATOM 0 H TRP A 153 -21.769 6.066 3.719 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.335 5.689 1.215 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.271 3.991 2.823 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.514 3.472 1.330 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.363 4.736 4.844 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.168 3.531 5.482 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.717 2.044 0.550 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.437 1.674 4.283 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.757 0.560 0.372 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.148 0.376 2.222 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.310 6.753 1.321 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.415 7.263 0.553 1.00 0.99 C ATOM 2422 C GLU A 154 -24.441 8.759 0.757 1.00 0.96 C ATOM 2423 O GLU A 154 -24.088 9.233 1.840 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.727 6.633 1.030 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.675 5.116 1.084 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.830 4.507 1.849 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -27.058 4.902 3.011 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -27.545 3.661 1.276 1.00 2.07 O ATOM 0 H GLU A 154 -23.283 7.092 2.283 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.301 7.021 -0.504 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.969 7.018 2.021 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.533 6.939 0.364 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.673 4.723 0.068 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.738 4.807 1.547 1.00 1.48 H new ATOM 2435 N ASP A 155 -24.817 9.504 -0.264 1.00 0.99 N ATOM 2436 CA ASP A 155 -24.942 10.946 -0.136 1.00 1.07 C ATOM 2437 C ASP A 155 -26.186 11.268 0.683 1.00 1.02 C ATOM 2438 O ASP A 155 -27.211 11.727 0.178 1.00 1.15 O ATOM 2439 CB ASP A 155 -24.953 11.611 -1.513 1.00 1.41 C ATOM 2440 CG ASP A 155 -26.002 11.047 -2.454 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -25.946 9.838 -2.765 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.868 11.814 -2.920 1.00 1.86 O ATOM 0 H ASP A 155 -25.041 9.138 -1.189 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.079 11.351 0.392 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.126 12.680 -1.389 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -23.970 11.498 -1.969 1.00 1.41 H new ATOM 2447 N ASN A 156 -26.057 10.999 1.967 1.00 1.06 N ATOM 2448 CA ASN A 156 -27.169 10.977 2.893 1.00 1.31 C ATOM 2449 C ASN A 156 -27.231 12.271 3.685 1.00 1.59 C ATOM 2450 O ASN A 156 -27.934 13.201 3.251 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.978 9.791 3.839 1.00 1.55 C ATOM 2452 CG ASN A 156 -28.257 9.045 4.132 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -29.336 9.629 4.220 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -28.136 7.735 4.272 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.564 12.355 4.739 1.00 2.05 O ATOM 0 H ASN A 156 -25.160 10.786 2.403 1.00 1.06 H new ATOM 0 HA ASN A 156 -28.105 10.876 2.344 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.256 9.101 3.403 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -26.552 10.149 4.776 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.960 7.164 4.462 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -27.219 7.296 4.190 1.00 2.27 H new TER 2462 ASN A 156