USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=29 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= -0.974 X(o=0.52,f=0.77) USER MOD Set 1.2: A 152 ASN : amide:sc= 1.5 K(o=0.52,f=-3.6!) USER MOD Set 2.1: A 8 ASN : amide:sc= 1.04 X(o=0.069,f=0.19) USER MOD Set 2.2: A 27 THR OG1 : rot 9:sc= -0.0454 USER MOD Set 2.3: A 71 MET CE :methyl -113:sc= -0.927 (180deg=-0.456) USER MOD Set 3.1: A 30 CYS SG : rot 11:sc= -1.51 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.901 K(o=-0.61,f=-4.9!) USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0.47 USER MOD Set 4.2: A 93 THR OG1 : rot 143:sc= 0.507 USER MOD Set 4.3: A 115 ASN : amide:sc= -0.0465 X(o=0.93,f=0.9) USER MOD Set 5.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 100 THR OG1 : rot 180:sc= -0.0311 USER MOD Set 6.1: A 1 MET N :NH3+ -150:sc= 2.65 (180deg=0.635!) USER MOD Set 6.2: A 5 GLN : amide:sc= 0.84 K(o=3.5,f=-14!) USER MOD Single : A 1 MET CE :methyl -145:sc= -2.3 (180deg=-4.89!) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= 1.54 (180deg=1.3) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.949 K(o=-0.95,f=-3.1!) USER MOD Single : A 16 SER OG : rot 92:sc= 1.23 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.71! C(o=-2.7!,f=-1.9!) USER MOD Single : A 23 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.55) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 38:sc= -2.4! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.558 K(o=0.56,f=-8.7!) USER MOD Single : A 59 SER OG : rot 40:sc= 0.0128 USER MOD Single : A 75 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.31) USER MOD Single : A 80 ASN : amide:sc= 0.524 K(o=0.52,f=-8.1!) USER MOD Single : A 98 THR OG1 : rot -164:sc= 1.24 USER MOD Single : A 99 CYS SG : rot -100:sc= -0.257 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= -3.1! K(o=-3.1!,f=-0.012) USER MOD Single : A 117 TYR OH : rot 180:sc= -3.54! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00517 USER MOD Single : A 125 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : A 129 LYS NZ :NH3+ -136:sc= 0.727 (180deg=-0.457) USER MOD Single : A 133 SER OG : rot -31:sc= 1.23 USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.09) USER MOD Single : A 136 GLN : amide:sc= -0.447 K(o=-0.45,f=-5.8!) USER MOD Single : A 138 ASN : amide:sc=-0.00671 K(o=-0.0067,f=-0.77) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 147 THR OG1 : rot 89:sc= 0.889 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.895 K(o=-0.89,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.976 -0.782 6.694 1.00 2.96 N ATOM 2 CA MET A 1 -17.955 -0.816 7.805 1.00 2.49 C ATOM 3 C MET A 1 -19.390 -0.647 7.302 1.00 1.61 C ATOM 4 O MET A 1 -20.324 -1.144 7.925 1.00 2.04 O ATOM 5 CB MET A 1 -17.626 0.267 8.846 1.00 2.65 C ATOM 6 CG MET A 1 -17.677 1.702 8.323 1.00 2.26 C ATOM 7 SD MET A 1 -16.472 2.022 7.014 1.00 2.63 S ATOM 8 CE MET A 1 -16.567 3.807 6.896 1.00 2.46 C ATOM 0 H1 MET A 1 -16.153 -1.369 6.938 1.00 2.96 H new ATOM 0 H2 MET A 1 -17.420 -1.151 5.829 1.00 2.96 H new ATOM 0 H3 MET A 1 -16.667 0.198 6.533 1.00 2.96 H new ATOM 0 HA MET A 1 -17.881 -1.796 8.275 1.00 2.49 H new ATOM 0 HB2 MET A 1 -18.324 0.174 9.678 1.00 2.65 H new ATOM 0 HB3 MET A 1 -16.629 0.076 9.244 1.00 2.65 H new ATOM 0 HG2 MET A 1 -18.678 1.910 7.946 1.00 2.26 H new ATOM 0 HG3 MET A 1 -17.499 2.390 9.149 1.00 2.26 H new ATOM 0 HE1 MET A 1 -16.433 4.111 5.858 1.00 2.46 H new ATOM 0 HE2 MET A 1 -17.542 4.144 7.249 1.00 2.46 H new ATOM 0 HE3 MET A 1 -15.785 4.254 7.509 1.00 2.46 H new ATOM 18 N ALA A 2 -19.577 0.045 6.179 1.00 0.91 N ATOM 19 CA ALA A 2 -20.915 0.220 5.636 1.00 0.66 C ATOM 20 C ALA A 2 -21.181 -0.761 4.493 1.00 0.57 C ATOM 21 O ALA A 2 -21.725 -1.834 4.717 1.00 0.68 O ATOM 22 CB ALA A 2 -21.132 1.659 5.197 1.00 1.48 C ATOM 0 H ALA A 2 -18.832 0.485 5.639 1.00 0.91 H new ATOM 0 HA ALA A 2 -21.634 -0.000 6.425 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -22.139 1.769 4.794 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -21.010 2.323 6.053 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -20.403 1.919 4.429 1.00 1.48 H new ATOM 28 N LYS A 3 -20.772 -0.414 3.275 1.00 0.46 N ATOM 29 CA LYS A 3 -21.037 -1.275 2.124 1.00 0.45 C ATOM 30 C LYS A 3 -19.848 -2.183 1.824 1.00 0.35 C ATOM 31 O LYS A 3 -19.990 -3.201 1.156 1.00 0.36 O ATOM 32 CB LYS A 3 -21.401 -0.448 0.884 1.00 0.54 C ATOM 33 CG LYS A 3 -22.717 0.312 1.013 1.00 0.82 C ATOM 34 CD LYS A 3 -22.548 1.611 1.782 1.00 0.81 C ATOM 35 CE LYS A 3 -23.743 1.900 2.677 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.030 1.883 1.932 1.00 0.98 N ATOM 0 H LYS A 3 -20.263 0.444 3.060 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.890 -1.903 2.380 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.600 0.264 0.686 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.459 -1.111 0.021 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.111 0.527 0.020 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.451 -0.316 1.518 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.644 1.559 2.389 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.413 2.434 1.080 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.780 1.161 3.477 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.613 2.874 3.148 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.772 2.326 2.510 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.923 2.411 1.042 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.296 0.900 1.722 1.00 0.98 H new ATOM 50 N VAL A 4 -18.683 -1.812 2.332 1.00 0.32 N ATOM 51 CA VAL A 4 -17.478 -2.617 2.169 1.00 0.29 C ATOM 52 C VAL A 4 -16.732 -2.693 3.490 1.00 0.33 C ATOM 53 O VAL A 4 -16.620 -1.695 4.207 1.00 0.45 O ATOM 54 CB VAL A 4 -16.542 -2.055 1.063 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.081 -2.408 1.324 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.951 -2.591 -0.297 1.00 0.27 C ATOM 0 H VAL A 4 -18.544 -0.953 2.864 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.787 -3.615 1.857 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.641 -0.970 1.078 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.460 -1.997 0.528 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.770 -1.988 2.281 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.968 -3.492 1.350 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.286 -2.189 -1.062 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.884 -3.679 -0.294 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.976 -2.291 -0.513 1.00 0.27 H new ATOM 66 N GLN A 5 -16.271 -3.883 3.828 1.00 0.30 N ATOM 67 CA GLN A 5 -15.463 -4.083 5.016 1.00 0.34 C ATOM 68 C GLN A 5 -14.429 -5.174 4.762 1.00 0.31 C ATOM 69 O GLN A 5 -14.774 -6.339 4.574 1.00 0.32 O ATOM 70 CB GLN A 5 -16.358 -4.451 6.202 1.00 0.41 C ATOM 71 CG GLN A 5 -15.603 -4.693 7.496 1.00 0.72 C ATOM 72 CD GLN A 5 -14.721 -3.523 7.894 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.024 -2.365 7.595 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.618 -3.819 8.560 1.00 1.39 N ATOM 0 H GLN A 5 -16.445 -4.733 3.291 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.939 -3.158 5.254 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.081 -3.651 6.360 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.925 -5.348 5.951 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.317 -4.892 8.295 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.987 -5.586 7.390 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.405 -4.790 8.787 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.980 -3.076 8.847 1.00 1.39 H new ATOM 83 N VAL A 6 -13.162 -4.786 4.727 1.00 0.32 N ATOM 84 CA VAL A 6 -12.086 -5.739 4.483 1.00 0.34 C ATOM 85 C VAL A 6 -11.955 -6.705 5.658 1.00 0.38 C ATOM 86 O VAL A 6 -12.323 -6.380 6.787 1.00 0.60 O ATOM 87 CB VAL A 6 -10.730 -5.038 4.242 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.815 -4.072 3.066 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.258 -4.324 5.499 1.00 1.32 C ATOM 0 H VAL A 6 -12.854 -3.823 4.864 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.347 -6.289 3.579 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.996 -5.804 3.993 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -9.847 -3.592 2.918 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -11.090 -4.620 2.164 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.569 -3.312 3.273 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.302 -3.838 5.304 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.994 -3.574 5.789 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -10.140 -5.047 6.306 1.00 1.32 H new ATOM 99 N ASN A 7 -11.444 -7.892 5.386 1.00 0.32 N ATOM 100 CA ASN A 7 -11.275 -8.905 6.421 1.00 0.36 C ATOM 101 C ASN A 7 -9.898 -9.538 6.331 1.00 0.37 C ATOM 102 O ASN A 7 -9.137 -9.534 7.296 1.00 0.46 O ATOM 103 CB ASN A 7 -12.357 -9.987 6.315 1.00 0.37 C ATOM 104 CG ASN A 7 -13.672 -9.572 6.954 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.896 -9.803 8.140 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.551 -8.959 6.175 1.00 0.53 N ATOM 0 H ASN A 7 -11.137 -8.182 4.457 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.374 -8.412 7.388 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.527 -10.222 5.264 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.999 -10.900 6.792 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.449 -8.662 6.555 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.329 -8.784 5.195 1.00 0.53 H new ATOM 113 N ASN A 8 -9.582 -10.077 5.166 1.00 0.33 N ATOM 114 CA ASN A 8 -8.286 -10.711 4.949 1.00 0.39 C ATOM 115 C ASN A 8 -7.371 -9.784 4.172 1.00 0.39 C ATOM 116 O ASN A 8 -7.646 -9.450 3.023 1.00 0.48 O ATOM 117 CB ASN A 8 -8.443 -12.051 4.215 1.00 0.44 C ATOM 118 CG ASN A 8 -7.113 -12.640 3.752 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.408 -13.301 4.518 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.779 -12.438 2.485 1.00 1.47 N ATOM 0 H ASN A 8 -10.201 -10.090 4.355 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.838 -10.911 5.922 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.939 -12.763 4.874 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -9.092 -11.911 3.351 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.915 -12.835 2.116 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.386 -11.886 1.879 1.00 1.47 H new ATOM 127 N VAL A 9 -6.302 -9.348 4.809 1.00 0.42 N ATOM 128 CA VAL A 9 -5.316 -8.507 4.152 1.00 0.45 C ATOM 129 C VAL A 9 -3.925 -9.060 4.426 1.00 0.50 C ATOM 130 O VAL A 9 -3.435 -8.992 5.555 1.00 0.60 O ATOM 131 CB VAL A 9 -5.388 -7.037 4.628 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.465 -6.164 3.797 1.00 0.78 C ATOM 133 CG2 VAL A 9 -6.815 -6.511 4.568 1.00 1.01 C ATOM 0 H VAL A 9 -6.092 -9.562 5.784 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.531 -8.516 3.083 1.00 0.45 H new ATOM 0 HB VAL A 9 -5.059 -7.003 5.667 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.528 -5.133 4.145 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -3.439 -6.519 3.898 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.764 -6.212 2.750 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -6.836 -5.476 4.908 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -7.179 -6.563 3.542 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -7.453 -7.117 5.211 1.00 1.01 H new ATOM 143 N VAL A 10 -3.309 -9.650 3.411 1.00 0.52 N ATOM 144 CA VAL A 10 -1.994 -10.257 3.573 1.00 0.61 C ATOM 145 C VAL A 10 -1.058 -9.877 2.433 1.00 0.47 C ATOM 146 O VAL A 10 -1.496 -9.598 1.315 1.00 0.48 O ATOM 147 CB VAL A 10 -2.070 -11.800 3.673 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.795 -12.231 4.940 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.748 -12.390 2.447 1.00 1.24 C ATOM 0 H VAL A 10 -3.696 -9.722 2.470 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.597 -9.867 4.510 1.00 0.61 H new ATOM 0 HB VAL A 10 -1.049 -12.180 3.718 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.834 -13.319 4.985 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.262 -11.851 5.811 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.809 -11.832 4.933 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.789 -13.475 2.541 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.760 -11.994 2.365 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -2.181 -12.124 1.555 1.00 1.24 H new ATOM 159 N VAL A 11 0.228 -9.857 2.738 1.00 0.44 N ATOM 160 CA VAL A 11 1.255 -9.583 1.749 1.00 0.39 C ATOM 161 C VAL A 11 1.926 -10.897 1.377 1.00 0.41 C ATOM 162 O VAL A 11 2.086 -11.772 2.228 1.00 0.52 O ATOM 163 CB VAL A 11 2.314 -8.593 2.284 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.212 -8.094 1.162 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.654 -7.428 3.003 1.00 0.91 C ATOM 0 H VAL A 11 0.589 -10.030 3.676 1.00 0.44 H new ATOM 0 HA VAL A 11 0.788 -9.125 0.877 1.00 0.39 H new ATOM 0 HB VAL A 11 2.936 -9.127 3.002 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.948 -7.399 1.567 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.725 -8.939 0.703 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.607 -7.586 0.411 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.421 -6.746 3.370 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.998 -6.899 2.312 1.00 0.91 H new ATOM 0 HG23 VAL A 11 1.070 -7.803 3.843 1.00 0.91 H new ATOM 175 N LEU A 12 2.288 -11.055 0.118 1.00 0.40 N ATOM 176 CA LEU A 12 2.818 -12.331 -0.346 1.00 0.45 C ATOM 177 C LEU A 12 4.253 -12.209 -0.824 1.00 0.57 C ATOM 178 O LEU A 12 5.063 -13.116 -0.639 1.00 1.18 O ATOM 179 CB LEU A 12 1.953 -12.892 -1.477 1.00 0.50 C ATOM 180 CG LEU A 12 0.455 -12.979 -1.179 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.228 -11.655 -1.477 1.00 0.92 C ATOM 182 CD2 LEU A 12 -0.185 -14.099 -1.979 1.00 1.16 C ATOM 0 H LEU A 12 2.228 -10.329 -0.596 1.00 0.40 H new ATOM 0 HA LEU A 12 2.799 -13.012 0.505 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.094 -12.271 -2.361 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.315 -13.889 -1.727 1.00 0.50 H new ATOM 0 HG LEU A 12 0.330 -13.199 -0.119 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.293 -11.738 -1.259 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.210 -10.872 -0.858 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.092 -11.404 -2.529 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -1.250 -14.145 -1.753 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -0.048 -13.910 -3.044 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.283 -15.048 -1.715 1.00 1.16 H new ATOM 194 N ASP A 13 4.565 -11.082 -1.427 1.00 0.84 N ATOM 195 CA ASP A 13 5.854 -10.888 -2.067 1.00 1.01 C ATOM 196 C ASP A 13 6.933 -10.492 -1.061 1.00 0.85 C ATOM 197 O ASP A 13 8.097 -10.368 -1.411 1.00 1.01 O ATOM 198 CB ASP A 13 5.734 -9.826 -3.161 1.00 1.29 C ATOM 199 CG ASP A 13 5.544 -8.428 -2.608 1.00 2.15 C ATOM 200 OD1 ASP A 13 4.557 -8.206 -1.881 1.00 2.73 O ATOM 201 OD2 ASP A 13 6.387 -7.556 -2.894 1.00 2.57 O ATOM 0 H ASP A 13 3.940 -10.278 -1.489 1.00 0.84 H new ATOM 0 HA ASP A 13 6.154 -11.837 -2.511 1.00 1.01 H new ATOM 0 HB2 ASP A 13 6.630 -9.847 -3.781 1.00 1.29 H new ATOM 0 HB3 ASP A 13 4.893 -10.072 -3.809 1.00 1.29 H new ATOM 206 N ASN A 14 6.561 -10.311 0.192 1.00 0.68 N ATOM 207 CA ASN A 14 7.532 -9.911 1.210 1.00 0.63 C ATOM 208 C ASN A 14 8.228 -11.135 1.803 1.00 0.57 C ATOM 209 O ASN A 14 7.588 -12.156 2.056 1.00 0.67 O ATOM 210 CB ASN A 14 6.852 -9.099 2.323 1.00 0.78 C ATOM 211 CG ASN A 14 6.001 -9.950 3.252 1.00 0.96 C ATOM 212 OD1 ASN A 14 4.864 -10.286 2.932 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.534 -10.283 4.418 1.00 1.40 N ATOM 0 H ASN A 14 5.607 -10.431 0.533 1.00 0.68 H new ATOM 0 HA ASN A 14 8.282 -9.282 0.730 1.00 0.63 H new ATOM 0 HB2 ASN A 14 7.616 -8.587 2.908 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.226 -8.329 1.871 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.996 -10.837 5.085 1.00 1.40 H new ATOM 0 HD22 ASN A 14 7.482 -9.986 4.649 1.00 1.40 H new ATOM 220 N PRO A 15 9.559 -11.072 1.983 1.00 0.51 N ATOM 221 CA PRO A 15 10.413 -9.996 1.477 1.00 0.45 C ATOM 222 C PRO A 15 11.012 -10.316 0.103 1.00 0.44 C ATOM 223 O PRO A 15 11.326 -11.468 -0.198 1.00 0.48 O ATOM 224 CB PRO A 15 11.537 -9.920 2.520 1.00 0.48 C ATOM 225 CG PRO A 15 11.329 -11.085 3.448 1.00 0.57 C ATOM 226 CD PRO A 15 10.350 -12.008 2.772 1.00 0.60 C ATOM 0 HA PRO A 15 9.854 -9.070 1.344 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.515 -9.973 2.042 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.499 -8.977 3.065 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.271 -11.597 3.644 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.943 -10.749 4.410 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.850 -12.749 2.148 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.740 -12.555 3.491 1.00 0.60 H new ATOM 234 N SER A 16 11.155 -9.292 -0.724 1.00 0.42 N ATOM 235 CA SER A 16 11.769 -9.431 -2.042 1.00 0.47 C ATOM 236 C SER A 16 12.368 -8.088 -2.459 1.00 0.45 C ATOM 237 O SER A 16 12.073 -7.075 -1.829 1.00 0.43 O ATOM 238 CB SER A 16 10.740 -9.909 -3.076 1.00 0.59 C ATOM 239 OG SER A 16 10.264 -11.212 -2.768 1.00 0.77 O ATOM 0 H SER A 16 10.851 -8.343 -0.505 1.00 0.42 H new ATOM 0 HA SER A 16 12.559 -10.180 -1.992 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.903 -9.212 -3.108 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.192 -9.910 -4.068 1.00 0.59 H new ATOM 0 HG SER A 16 9.455 -11.143 -2.219 1.00 0.77 H new ATOM 245 N PRO A 17 13.226 -8.059 -3.499 1.00 0.52 N ATOM 246 CA PRO A 17 13.831 -6.814 -4.002 1.00 0.52 C ATOM 247 C PRO A 17 12.810 -5.698 -4.257 1.00 0.48 C ATOM 248 O PRO A 17 11.631 -5.956 -4.505 1.00 0.58 O ATOM 249 CB PRO A 17 14.482 -7.244 -5.317 1.00 0.60 C ATOM 250 CG PRO A 17 14.804 -8.682 -5.118 1.00 0.83 C ATOM 251 CD PRO A 17 13.703 -9.236 -4.253 1.00 0.63 C ATOM 0 HA PRO A 17 14.523 -6.390 -3.274 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.806 -7.101 -6.160 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.379 -6.661 -5.525 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.853 -9.207 -6.072 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.775 -8.802 -4.638 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.907 -9.678 -4.852 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.071 -10.016 -3.587 1.00 0.63 H new ATOM 259 N PHE A 18 13.288 -4.458 -4.190 1.00 0.41 N ATOM 260 CA PHE A 18 12.456 -3.271 -4.387 1.00 0.37 C ATOM 261 C PHE A 18 11.765 -3.261 -5.756 1.00 0.36 C ATOM 262 O PHE A 18 10.613 -2.850 -5.867 1.00 0.37 O ATOM 263 CB PHE A 18 13.317 -2.012 -4.212 1.00 0.38 C ATOM 264 CG PHE A 18 12.716 -0.764 -4.791 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.792 -0.022 -4.078 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.081 -0.336 -6.057 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.242 1.124 -4.619 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.537 0.806 -6.603 1.00 0.36 C ATOM 269 CZ PHE A 18 11.615 1.539 -5.885 1.00 0.37 C ATOM 0 H PHE A 18 14.267 -4.246 -3.997 1.00 0.41 H new ATOM 0 HA PHE A 18 11.665 -3.289 -3.637 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.497 -1.855 -3.149 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.288 -2.183 -4.677 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.498 -0.341 -3.089 1.00 0.35 H new ATOM 0 HD2 PHE A 18 13.802 -0.906 -6.624 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.521 1.696 -4.054 1.00 0.37 H new ATOM 0 HE2 PHE A 18 12.832 1.127 -7.591 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.186 2.434 -6.310 1.00 0.37 H new ATOM 279 N TYR A 19 12.466 -3.713 -6.793 1.00 0.38 N ATOM 280 CA TYR A 19 11.913 -3.689 -8.149 1.00 0.41 C ATOM 281 C TYR A 19 10.832 -4.750 -8.341 1.00 0.44 C ATOM 282 O TYR A 19 10.162 -4.791 -9.378 1.00 0.52 O ATOM 283 CB TYR A 19 13.018 -3.851 -9.192 1.00 0.45 C ATOM 284 CG TYR A 19 13.767 -2.566 -9.468 1.00 0.46 C ATOM 285 CD1 TYR A 19 14.834 -2.176 -8.666 1.00 0.58 C ATOM 286 CD2 TYR A 19 13.421 -1.751 -10.536 1.00 0.52 C ATOM 287 CE1 TYR A 19 15.529 -1.010 -8.919 1.00 0.64 C ATOM 288 CE2 TYR A 19 14.111 -0.583 -10.794 1.00 0.56 C ATOM 289 CZ TYR A 19 15.125 -0.190 -9.965 1.00 0.57 C ATOM 290 OH TYR A 19 15.859 0.943 -10.246 1.00 0.65 O ATOM 0 H TYR A 19 13.408 -4.097 -6.725 1.00 0.38 H new ATOM 0 HA TYR A 19 11.445 -2.715 -8.289 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.723 -4.609 -8.851 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.581 -4.217 -10.121 1.00 0.45 H new ATOM 0 HD1 TYR A 19 15.124 -2.796 -7.831 1.00 0.58 H new ATOM 0 HD2 TYR A 19 12.599 -2.035 -11.176 1.00 0.52 H new ATOM 0 HE1 TYR A 19 16.378 -0.738 -8.310 1.00 0.64 H new ATOM 0 HE2 TYR A 19 13.850 0.020 -11.651 1.00 0.56 H new ATOM 0 HH TYR A 19 15.455 1.415 -11.004 1.00 0.65 H new ATOM 300 N ASN A 20 10.667 -5.598 -7.341 1.00 0.44 N ATOM 301 CA ASN A 20 9.584 -6.566 -7.326 1.00 0.48 C ATOM 302 C ASN A 20 8.281 -5.854 -6.960 1.00 0.42 C ATOM 303 O ASN A 20 8.266 -4.994 -6.077 1.00 0.52 O ATOM 304 CB ASN A 20 9.911 -7.694 -6.333 1.00 0.61 C ATOM 305 CG ASN A 20 8.748 -8.055 -5.431 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.971 -8.965 -5.723 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.634 -7.336 -4.325 1.00 0.69 N ATOM 0 H ASN A 20 11.275 -5.636 -6.523 1.00 0.44 H new ATOM 0 HA ASN A 20 9.464 -7.015 -8.312 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.219 -8.580 -6.889 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.759 -7.393 -5.718 1.00 0.61 H new ATOM 0 HD21 ASN A 20 7.876 -7.526 -3.669 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.304 -6.592 -4.129 1.00 0.69 H new ATOM 314 N PRO A 21 7.182 -6.176 -7.655 1.00 0.41 N ATOM 315 CA PRO A 21 5.898 -5.504 -7.459 1.00 0.38 C ATOM 316 C PRO A 21 5.242 -5.830 -6.125 1.00 0.35 C ATOM 317 O PRO A 21 5.164 -6.992 -5.728 1.00 0.42 O ATOM 318 CB PRO A 21 5.028 -6.013 -8.619 1.00 0.44 C ATOM 319 CG PRO A 21 5.961 -6.726 -9.540 1.00 0.62 C ATOM 320 CD PRO A 21 7.099 -7.209 -8.690 1.00 0.57 C ATOM 0 HA PRO A 21 6.026 -4.422 -7.446 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.247 -6.682 -8.258 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.531 -5.187 -9.127 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.461 -7.560 -10.032 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.317 -6.060 -10.326 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.900 -8.193 -8.266 1.00 0.57 H new ATOM 0 HD3 PRO A 21 8.025 -7.289 -9.259 1.00 0.57 H new ATOM 328 N PHE A 22 4.771 -4.781 -5.455 1.00 0.33 N ATOM 329 CA PHE A 22 4.007 -4.913 -4.225 1.00 0.34 C ATOM 330 C PHE A 22 2.814 -5.831 -4.457 1.00 0.33 C ATOM 331 O PHE A 22 1.902 -5.498 -5.216 1.00 0.41 O ATOM 332 CB PHE A 22 3.522 -3.539 -3.744 1.00 0.37 C ATOM 333 CG PHE A 22 4.620 -2.633 -3.251 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.071 -2.699 -1.939 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.201 -1.710 -4.105 1.00 0.49 C ATOM 336 CE1 PHE A 22 6.075 -1.862 -1.494 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.207 -0.872 -3.664 1.00 0.57 C ATOM 338 CZ PHE A 22 6.648 -0.971 -2.323 1.00 0.58 C ATOM 0 H PHE A 22 4.911 -3.816 -5.753 1.00 0.33 H new ATOM 0 HA PHE A 22 4.650 -5.343 -3.457 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.998 -3.044 -4.562 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.798 -3.682 -2.942 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.631 -3.413 -1.259 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.863 -1.645 -5.129 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.404 -1.923 -0.467 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.651 -0.151 -4.334 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.443 -0.333 -1.966 1.00 0.58 H new ATOM 348 N GLN A 23 2.838 -6.985 -3.814 1.00 0.31 N ATOM 349 CA GLN A 23 1.844 -8.015 -4.040 1.00 0.34 C ATOM 350 C GLN A 23 0.967 -8.209 -2.806 1.00 0.33 C ATOM 351 O GLN A 23 1.371 -8.843 -1.825 1.00 0.38 O ATOM 352 CB GLN A 23 2.559 -9.312 -4.419 1.00 0.45 C ATOM 353 CG GLN A 23 1.650 -10.505 -4.634 1.00 0.97 C ATOM 354 CD GLN A 23 2.413 -11.719 -5.118 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.030 -12.858 -4.853 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.509 -11.484 -5.823 1.00 1.13 N ATOM 0 H GLN A 23 3.546 -7.233 -3.123 1.00 0.31 H new ATOM 0 HA GLN A 23 1.186 -7.714 -4.855 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.131 -9.141 -5.331 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.275 -9.557 -3.635 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.140 -10.745 -3.701 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.880 -10.247 -5.361 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.792 -10.524 -6.021 1.00 1.13 H new ATOM 0 HE22 GLN A 23 4.070 -12.263 -6.168 1.00 1.13 H new ATOM 365 N PHE A 24 -0.234 -7.651 -2.860 1.00 0.31 N ATOM 366 CA PHE A 24 -1.167 -7.724 -1.745 1.00 0.33 C ATOM 367 C PHE A 24 -2.376 -8.578 -2.096 1.00 0.36 C ATOM 368 O PHE A 24 -2.894 -8.509 -3.210 1.00 0.50 O ATOM 369 CB PHE A 24 -1.653 -6.328 -1.354 1.00 0.31 C ATOM 370 CG PHE A 24 -0.580 -5.420 -0.835 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.223 -5.449 0.500 1.00 0.31 C ATOM 372 CD2 PHE A 24 0.054 -4.520 -1.677 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.749 -4.597 0.989 1.00 0.31 C ATOM 374 CE2 PHE A 24 1.028 -3.669 -1.195 1.00 0.32 C ATOM 375 CZ PHE A 24 1.377 -3.706 0.139 1.00 0.30 C ATOM 0 H PHE A 24 -0.587 -7.140 -3.669 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.635 -8.177 -0.909 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.117 -5.862 -2.223 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.428 -6.426 -0.593 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.709 -6.145 1.168 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.217 -4.484 -2.722 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.018 -4.627 2.035 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.517 -2.974 -1.862 1.00 0.32 H new ATOM 0 HZ PHE A 24 2.139 -3.041 0.518 1.00 0.30 H new ATOM 385 N GLU A 25 -2.830 -9.370 -1.141 1.00 0.31 N ATOM 386 CA GLU A 25 -4.045 -10.141 -1.308 1.00 0.34 C ATOM 387 C GLU A 25 -5.148 -9.498 -0.486 1.00 0.32 C ATOM 388 O GLU A 25 -5.216 -9.668 0.735 1.00 0.35 O ATOM 389 CB GLU A 25 -3.846 -11.597 -0.887 1.00 0.43 C ATOM 390 CG GLU A 25 -5.074 -12.464 -1.116 1.00 0.97 C ATOM 391 CD GLU A 25 -4.905 -13.872 -0.590 1.00 1.43 C ATOM 392 OE1 GLU A 25 -5.071 -14.080 0.629 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.616 -14.785 -1.394 1.00 1.98 O ATOM 0 H GLU A 25 -2.372 -9.495 -0.238 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.319 -10.145 -2.363 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.006 -12.016 -1.441 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.579 -11.629 0.169 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.935 -12.002 -0.633 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -5.291 -12.504 -2.183 1.00 0.97 H new ATOM 400 N ILE A 26 -5.979 -8.720 -1.153 1.00 0.30 N ATOM 401 CA ILE A 26 -7.022 -7.969 -0.485 1.00 0.30 C ATOM 402 C ILE A 26 -8.356 -8.698 -0.555 1.00 0.29 C ATOM 403 O ILE A 26 -8.901 -8.935 -1.636 1.00 0.32 O ATOM 404 CB ILE A 26 -7.171 -6.573 -1.111 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.837 -5.823 -1.064 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.256 -5.783 -0.388 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.822 -4.559 -1.893 1.00 0.29 C ATOM 0 H ILE A 26 -5.950 -8.592 -2.165 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.732 -7.867 0.561 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.464 -6.687 -2.155 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.608 -5.571 -0.029 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.045 -6.486 -1.413 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.351 -4.796 -0.841 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.206 -6.312 -0.468 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.988 -5.675 0.663 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.845 -4.082 -1.811 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.019 -4.806 -2.936 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.591 -3.877 -1.530 1.00 0.29 H new ATOM 419 N THR A 27 -8.866 -9.070 0.603 1.00 0.31 N ATOM 420 CA THR A 27 -10.166 -9.695 0.700 1.00 0.30 C ATOM 421 C THR A 27 -11.124 -8.798 1.470 1.00 0.27 C ATOM 422 O THR A 27 -11.023 -8.658 2.694 1.00 0.29 O ATOM 423 CB THR A 27 -10.057 -11.056 1.397 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.977 -11.798 0.822 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.350 -11.845 1.266 1.00 0.34 C ATOM 0 H THR A 27 -8.392 -8.947 1.498 1.00 0.31 H new ATOM 0 HA THR A 27 -10.551 -9.846 -0.309 1.00 0.30 H new ATOM 0 HB THR A 27 -9.869 -10.888 2.457 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.467 -11.219 0.218 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.243 -12.806 1.770 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.166 -11.285 1.723 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.570 -12.011 0.211 1.00 0.34 H new ATOM 433 N PHE A 28 -12.053 -8.196 0.748 1.00 0.23 N ATOM 434 CA PHE A 28 -12.998 -7.273 1.335 1.00 0.22 C ATOM 435 C PHE A 28 -14.407 -7.805 1.170 1.00 0.21 C ATOM 436 O PHE A 28 -14.755 -8.351 0.128 1.00 0.20 O ATOM 437 CB PHE A 28 -12.869 -5.901 0.676 1.00 0.21 C ATOM 438 CG PHE A 28 -13.208 -5.900 -0.786 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.297 -6.361 -1.718 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.438 -5.440 -1.227 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.603 -6.363 -3.059 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.750 -5.442 -2.571 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.840 -5.896 -3.487 1.00 0.28 C ATOM 0 H PHE A 28 -12.170 -8.335 -0.256 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.782 -7.170 2.399 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.522 -5.197 1.192 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.848 -5.541 0.804 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.334 -6.724 -1.389 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -15.160 -5.076 -0.511 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.884 -6.727 -3.778 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.714 -5.085 -2.901 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.083 -5.891 -4.539 1.00 0.28 H new ATOM 453 N GLU A 29 -15.208 -7.658 2.196 1.00 0.22 N ATOM 454 CA GLU A 29 -16.569 -8.147 2.167 1.00 0.23 C ATOM 455 C GLU A 29 -17.535 -7.002 1.944 1.00 0.25 C ATOM 456 O GLU A 29 -17.617 -6.072 2.749 1.00 0.29 O ATOM 457 CB GLU A 29 -16.886 -8.881 3.467 1.00 0.26 C ATOM 458 CG GLU A 29 -18.300 -9.425 3.551 1.00 0.33 C ATOM 459 CD GLU A 29 -18.481 -10.337 4.744 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.500 -9.832 5.884 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.628 -11.562 4.545 1.00 0.67 O ATOM 0 H GLU A 29 -14.941 -7.201 3.068 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.678 -8.848 1.339 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -16.184 -9.707 3.584 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.721 -8.202 4.303 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -19.005 -8.596 3.617 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.534 -9.971 2.637 1.00 0.33 H new ATOM 468 N CYS A 30 -18.235 -7.055 0.827 1.00 0.24 N ATOM 469 CA CYS A 30 -19.260 -6.081 0.533 1.00 0.28 C ATOM 470 C CYS A 30 -20.521 -6.426 1.303 1.00 0.33 C ATOM 471 O CYS A 30 -21.174 -7.431 1.027 1.00 0.35 O ATOM 472 CB CYS A 30 -19.549 -6.038 -0.966 1.00 0.29 C ATOM 473 SG CYS A 30 -18.104 -5.671 -1.982 1.00 0.51 S ATOM 0 H CYS A 30 -18.109 -7.767 0.107 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.909 -5.095 0.838 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.962 -6.999 -1.274 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.315 -5.286 -1.157 1.00 0.29 H new ATOM 0 HG CYS A 30 -17.032 -5.731 -1.249 1.00 0.51 H new ATOM 479 N ILE A 31 -20.835 -5.607 2.288 1.00 0.39 N ATOM 480 CA ILE A 31 -22.011 -5.814 3.115 1.00 0.45 C ATOM 481 C ILE A 31 -23.250 -5.371 2.348 1.00 0.48 C ATOM 482 O ILE A 31 -24.369 -5.796 2.632 1.00 0.53 O ATOM 483 CB ILE A 31 -21.894 -5.022 4.437 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.490 -5.194 5.025 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.948 -5.479 5.438 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.247 -4.384 6.278 1.00 0.52 C ATOM 0 H ILE A 31 -20.287 -4.784 2.538 1.00 0.39 H new ATOM 0 HA ILE A 31 -22.091 -6.873 3.359 1.00 0.45 H new ATOM 0 HB ILE A 31 -22.064 -3.966 4.225 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.327 -6.248 5.248 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.754 -4.910 4.272 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.846 -4.907 6.360 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.941 -5.318 5.019 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.812 -6.539 5.651 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.232 -4.559 6.633 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.376 -3.324 6.057 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.958 -4.683 7.048 1.00 0.52 H new ATOM 498 N GLU A 32 -23.017 -4.522 1.358 1.00 0.49 N ATOM 499 CA GLU A 32 -24.064 -4.018 0.487 1.00 0.53 C ATOM 500 C GLU A 32 -23.528 -3.918 -0.933 1.00 0.52 C ATOM 501 O GLU A 32 -22.343 -4.162 -1.169 1.00 0.51 O ATOM 502 CB GLU A 32 -24.536 -2.639 0.954 1.00 0.60 C ATOM 503 CG GLU A 32 -25.235 -2.641 2.301 1.00 0.84 C ATOM 504 CD GLU A 32 -25.531 -1.244 2.793 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.397 -0.571 2.201 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.916 -0.814 3.790 1.00 1.83 O ATOM 0 H GLU A 32 -22.089 -4.162 1.136 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.911 -4.704 0.519 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.676 -1.972 1.005 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.214 -2.228 0.206 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.166 -3.202 2.224 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.611 -3.157 3.031 1.00 0.84 H new ATOM 513 N ASP A 33 -24.389 -3.556 -1.870 1.00 0.62 N ATOM 514 CA ASP A 33 -23.976 -3.383 -3.255 1.00 0.65 C ATOM 515 C ASP A 33 -23.544 -1.944 -3.495 1.00 0.65 C ATOM 516 O ASP A 33 -24.316 -1.005 -3.284 1.00 0.79 O ATOM 517 CB ASP A 33 -25.105 -3.752 -4.220 1.00 0.76 C ATOM 518 CG ASP A 33 -25.563 -5.189 -4.072 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.794 -6.108 -4.417 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.705 -5.405 -3.608 1.00 2.18 O ATOM 0 H ASP A 33 -25.378 -3.376 -1.698 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.135 -4.051 -3.441 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.952 -3.087 -4.051 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -24.769 -3.587 -5.244 1.00 0.76 H new ATOM 525 N LEU A 34 -22.313 -1.780 -3.942 1.00 0.57 N ATOM 526 CA LEU A 34 -21.737 -0.460 -4.154 1.00 0.57 C ATOM 527 C LEU A 34 -22.354 0.205 -5.378 1.00 0.64 C ATOM 528 O LEU A 34 -22.449 -0.401 -6.444 1.00 0.71 O ATOM 529 CB LEU A 34 -20.215 -0.555 -4.324 1.00 0.55 C ATOM 530 CG LEU A 34 -19.394 -0.776 -3.041 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.580 0.380 -2.083 1.00 1.52 C ATOM 532 CD2 LEU A 34 -19.760 -2.085 -2.358 1.00 1.41 C ATOM 0 H LEU A 34 -21.685 -2.551 -4.168 1.00 0.57 H new ATOM 0 HA LEU A 34 -21.955 0.148 -3.276 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -19.999 -1.372 -5.013 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -19.867 0.362 -4.798 1.00 0.55 H new ATOM 0 HG LEU A 34 -18.345 -0.831 -3.332 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.991 0.205 -1.182 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.249 1.303 -2.558 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -20.633 0.466 -1.817 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -19.159 -2.205 -1.456 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -20.817 -2.073 -2.091 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.566 -2.916 -3.036 1.00 1.41 H new ATOM 544 N SER A 35 -22.765 1.454 -5.220 1.00 0.75 N ATOM 545 CA SER A 35 -23.395 2.194 -6.304 1.00 0.89 C ATOM 546 C SER A 35 -22.388 3.129 -6.974 1.00 0.75 C ATOM 547 O SER A 35 -22.754 4.028 -7.729 1.00 0.92 O ATOM 548 CB SER A 35 -24.584 2.983 -5.762 1.00 1.14 C ATOM 549 OG SER A 35 -25.437 2.135 -5.009 1.00 1.55 O ATOM 0 H SER A 35 -22.673 1.978 -4.350 1.00 0.75 H new ATOM 0 HA SER A 35 -23.750 1.489 -7.056 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.230 3.802 -5.136 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.140 3.429 -6.587 1.00 1.14 H new ATOM 0 HG SER A 35 -26.194 2.654 -4.666 1.00 1.55 H new ATOM 555 N GLU A 36 -21.115 2.898 -6.691 1.00 0.61 N ATOM 556 CA GLU A 36 -20.037 3.685 -7.269 1.00 0.51 C ATOM 557 C GLU A 36 -18.793 2.812 -7.380 1.00 0.44 C ATOM 558 O GLU A 36 -18.728 1.741 -6.769 1.00 0.53 O ATOM 559 CB GLU A 36 -19.752 4.912 -6.397 1.00 0.63 C ATOM 560 CG GLU A 36 -18.826 5.940 -7.032 1.00 1.48 C ATOM 561 CD GLU A 36 -18.456 7.051 -6.071 1.00 2.16 C ATOM 562 OE1 GLU A 36 -19.224 8.031 -5.968 1.00 2.46 O ATOM 563 OE2 GLU A 36 -17.391 6.952 -5.425 1.00 2.95 O ATOM 0 H GLU A 36 -20.801 2.163 -6.057 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.327 4.032 -8.261 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.698 5.396 -6.154 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.313 4.579 -5.457 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -17.919 5.444 -7.378 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.310 6.368 -7.910 1.00 1.48 H new ATOM 570 N ASP A 37 -17.820 3.263 -8.155 1.00 0.37 N ATOM 571 CA ASP A 37 -16.576 2.530 -8.328 1.00 0.36 C ATOM 572 C ASP A 37 -15.740 2.619 -7.063 1.00 0.35 C ATOM 573 O ASP A 37 -15.451 3.714 -6.577 1.00 0.50 O ATOM 574 CB ASP A 37 -15.771 3.090 -9.505 1.00 0.49 C ATOM 575 CG ASP A 37 -16.503 3.000 -10.827 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.379 3.851 -11.089 1.00 1.30 O ATOM 577 OD2 ASP A 37 -16.227 2.061 -11.599 1.00 1.88 O ATOM 0 H ASP A 37 -17.868 4.138 -8.677 1.00 0.37 H new ATOM 0 HA ASP A 37 -16.823 1.489 -8.534 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.524 4.133 -9.304 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.828 2.548 -9.582 1.00 0.49 H new ATOM 582 N LEU A 38 -15.359 1.474 -6.526 1.00 0.30 N ATOM 583 CA LEU A 38 -14.504 1.450 -5.352 1.00 0.31 C ATOM 584 C LEU A 38 -13.060 1.620 -5.803 1.00 0.28 C ATOM 585 O LEU A 38 -12.545 0.798 -6.566 1.00 0.29 O ATOM 586 CB LEU A 38 -14.674 0.122 -4.597 1.00 0.39 C ATOM 587 CG LEU A 38 -14.481 0.178 -3.073 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.098 0.693 -2.698 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.561 1.038 -2.435 1.00 1.32 C ATOM 0 H LEU A 38 -15.625 0.555 -6.880 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.779 2.260 -4.677 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.673 -0.263 -4.802 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.965 -0.598 -5.006 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.566 -0.839 -2.691 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.001 0.718 -1.613 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.338 0.032 -3.115 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.963 1.698 -3.097 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.412 1.068 -1.356 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.506 2.049 -2.838 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.541 0.613 -2.654 1.00 1.32 H new ATOM 601 N GLU A 39 -12.416 2.690 -5.352 1.00 0.30 N ATOM 602 CA GLU A 39 -11.045 2.959 -5.748 1.00 0.32 C ATOM 603 C GLU A 39 -10.066 2.409 -4.727 1.00 0.31 C ATOM 604 O GLU A 39 -9.902 2.963 -3.638 1.00 0.43 O ATOM 605 CB GLU A 39 -10.811 4.460 -5.950 1.00 0.42 C ATOM 606 CG GLU A 39 -9.395 4.793 -6.399 1.00 0.50 C ATOM 607 CD GLU A 39 -9.229 6.236 -6.829 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.394 7.140 -5.987 1.00 0.73 O ATOM 609 OE2 GLU A 39 -8.908 6.473 -8.014 1.00 0.92 O ATOM 0 H GLU A 39 -12.820 3.379 -4.717 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.874 2.454 -6.699 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.517 4.834 -6.691 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.021 4.982 -5.017 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.703 4.582 -5.584 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.120 4.140 -7.227 1.00 0.50 H new ATOM 616 N TRP A 40 -9.444 1.301 -5.080 1.00 0.24 N ATOM 617 CA TRP A 40 -8.383 0.733 -4.273 1.00 0.23 C ATOM 618 C TRP A 40 -7.066 1.343 -4.710 1.00 0.24 C ATOM 619 O TRP A 40 -6.590 1.079 -5.806 1.00 0.28 O ATOM 620 CB TRP A 40 -8.349 -0.787 -4.433 1.00 0.24 C ATOM 621 CG TRP A 40 -9.602 -1.446 -3.953 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.745 -1.660 -4.669 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.841 -1.968 -2.644 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.686 -2.277 -3.879 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.152 -2.475 -2.631 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.071 -2.052 -1.483 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.709 -3.055 -1.498 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.627 -2.630 -0.359 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.935 -3.125 -0.374 1.00 0.40 C ATOM 0 H TRP A 40 -9.658 0.773 -5.926 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.559 0.954 -3.220 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.193 -1.034 -5.483 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.498 -1.187 -3.881 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.889 -1.385 -5.703 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.626 -2.543 -4.172 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.060 -1.672 -1.464 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.719 -3.437 -1.505 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -9.042 -2.701 0.546 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.342 -3.572 0.521 1.00 0.40 H new ATOM 640 N LYS A 41 -6.486 2.168 -3.865 1.00 0.25 N ATOM 641 CA LYS A 41 -5.323 2.938 -4.259 1.00 0.25 C ATOM 642 C LYS A 41 -4.147 2.645 -3.342 1.00 0.23 C ATOM 643 O LYS A 41 -4.287 2.675 -2.122 1.00 0.27 O ATOM 644 CB LYS A 41 -5.669 4.425 -4.199 1.00 0.37 C ATOM 645 CG LYS A 41 -4.829 5.304 -5.107 1.00 0.63 C ATOM 646 CD LYS A 41 -5.010 6.772 -4.765 1.00 0.65 C ATOM 647 CE LYS A 41 -6.438 7.206 -5.042 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.734 8.570 -4.528 1.00 1.23 N ATOM 0 H LYS A 41 -6.797 2.323 -2.906 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.040 2.661 -5.275 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.719 4.552 -4.462 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.554 4.771 -3.172 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.778 5.032 -5.011 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -5.109 5.132 -6.146 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.769 6.940 -3.715 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.319 7.377 -5.352 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -6.619 7.180 -6.117 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.125 6.493 -4.586 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.721 8.816 -4.744 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.589 8.592 -3.498 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -6.099 9.257 -4.982 1.00 1.23 H new ATOM 662 N ILE A 42 -2.988 2.375 -3.918 1.00 0.22 N ATOM 663 CA ILE A 42 -1.797 2.167 -3.116 1.00 0.24 C ATOM 664 C ILE A 42 -0.905 3.392 -3.183 1.00 0.25 C ATOM 665 O ILE A 42 -0.291 3.684 -4.214 1.00 0.31 O ATOM 666 CB ILE A 42 -0.978 0.928 -3.545 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.807 -0.351 -3.395 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.300 0.833 -2.720 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.986 -1.623 -3.465 1.00 0.46 C ATOM 0 H ILE A 42 -2.848 2.296 -4.925 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.143 1.993 -2.097 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.711 1.038 -4.596 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.334 -0.322 -2.441 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.565 -0.375 -4.178 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.869 -0.043 -3.030 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.901 1.729 -2.875 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.046 0.745 -1.664 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.642 -2.486 -3.351 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.480 -1.677 -4.429 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.245 -1.622 -2.666 1.00 0.46 H new ATOM 681 N ILE A 43 -0.863 4.118 -2.084 1.00 0.24 N ATOM 682 CA ILE A 43 -0.009 5.277 -1.965 1.00 0.27 C ATOM 683 C ILE A 43 1.237 4.901 -1.183 1.00 0.26 C ATOM 684 O ILE A 43 1.172 4.592 0.008 1.00 0.30 O ATOM 685 CB ILE A 43 -0.727 6.448 -1.262 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.012 6.816 -2.010 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.196 7.656 -1.164 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.830 7.884 -1.317 1.00 0.69 C ATOM 0 H ILE A 43 -1.419 3.920 -1.252 1.00 0.24 H new ATOM 0 HA ILE A 43 0.258 5.606 -2.969 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.993 6.133 -0.253 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.754 7.160 -3.012 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.623 5.921 -2.128 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.326 8.473 -0.666 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.084 7.390 -0.591 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.491 7.971 -2.165 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.725 8.094 -1.903 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.119 7.535 -0.326 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.236 8.793 -1.223 1.00 0.69 H new ATOM 700 N TYR A 44 2.362 4.894 -1.861 1.00 0.29 N ATOM 701 CA TYR A 44 3.618 4.578 -1.225 1.00 0.29 C ATOM 702 C TYR A 44 4.275 5.868 -0.757 1.00 0.28 C ATOM 703 O TYR A 44 4.415 6.816 -1.534 1.00 0.33 O ATOM 704 CB TYR A 44 4.524 3.808 -2.197 1.00 0.32 C ATOM 705 CG TYR A 44 5.832 3.358 -1.582 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.889 2.197 -0.826 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.002 4.090 -1.748 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.070 1.774 -0.253 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.191 3.673 -1.174 1.00 0.45 C ATOM 710 CZ TYR A 44 8.219 2.514 -0.428 1.00 0.49 C ATOM 711 OH TYR A 44 9.396 2.089 0.145 1.00 0.59 O ATOM 0 H TYR A 44 2.432 5.105 -2.857 1.00 0.29 H new ATOM 0 HA TYR A 44 3.447 3.939 -0.359 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.987 2.934 -2.566 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.736 4.440 -3.060 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.992 1.613 -0.683 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.983 4.997 -2.333 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.094 0.866 0.331 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.092 4.253 -1.310 1.00 0.45 H new ATOM 0 HH TYR A 44 10.113 2.721 -0.073 1.00 0.59 H new ATOM 721 N VAL A 45 4.636 5.916 0.522 1.00 0.27 N ATOM 722 CA VAL A 45 5.277 7.094 1.088 1.00 0.28 C ATOM 723 C VAL A 45 6.535 7.430 0.307 1.00 0.30 C ATOM 724 O VAL A 45 7.480 6.645 0.272 1.00 0.36 O ATOM 725 CB VAL A 45 5.643 6.897 2.578 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.397 8.106 3.116 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.400 6.640 3.411 1.00 0.34 C ATOM 0 H VAL A 45 4.495 5.153 1.184 1.00 0.27 H new ATOM 0 HA VAL A 45 4.561 7.913 1.019 1.00 0.28 H new ATOM 0 HB VAL A 45 6.293 6.025 2.649 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.643 7.944 4.165 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.315 8.246 2.545 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.773 8.995 3.023 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.683 6.505 4.455 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.723 7.490 3.326 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.900 5.741 3.051 1.00 0.34 H new ATOM 737 N GLY A 46 6.522 8.580 -0.349 1.00 0.32 N ATOM 738 CA GLY A 46 7.680 9.011 -1.093 1.00 0.39 C ATOM 739 C GLY A 46 8.851 9.279 -0.185 1.00 0.41 C ATOM 740 O GLY A 46 9.926 8.719 -0.370 1.00 0.47 O ATOM 0 H GLY A 46 5.729 9.221 -0.378 1.00 0.32 H new ATOM 0 HA2 GLY A 46 7.951 8.247 -1.822 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.438 9.914 -1.653 1.00 0.39 H new ATOM 744 N SER A 47 8.639 10.122 0.815 1.00 0.43 N ATOM 745 CA SER A 47 9.696 10.469 1.734 1.00 0.48 C ATOM 746 C SER A 47 9.178 10.619 3.157 1.00 0.51 C ATOM 747 O SER A 47 8.024 10.982 3.376 1.00 0.49 O ATOM 748 CB SER A 47 10.337 11.772 1.279 1.00 0.53 C ATOM 749 OG SER A 47 11.331 12.205 2.185 1.00 1.23 O ATOM 0 H SER A 47 7.744 10.574 1.005 1.00 0.43 H new ATOM 0 HA SER A 47 10.431 9.664 1.735 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.778 11.636 0.291 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.571 12.541 1.183 1.00 0.53 H new ATOM 0 HG SER A 47 11.826 11.430 2.523 1.00 1.23 H new ATOM 755 N ALA A 48 10.037 10.311 4.113 1.00 0.62 N ATOM 756 CA ALA A 48 9.784 10.622 5.508 1.00 0.70 C ATOM 757 C ALA A 48 10.352 12.003 5.806 1.00 0.75 C ATOM 758 O ALA A 48 9.942 12.682 6.748 1.00 0.82 O ATOM 759 CB ALA A 48 10.414 9.572 6.405 1.00 0.81 C ATOM 0 H ALA A 48 10.926 9.840 3.945 1.00 0.62 H new ATOM 0 HA ALA A 48 8.711 10.621 5.702 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.216 9.818 7.448 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.989 8.595 6.176 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.491 9.548 6.236 1.00 0.81 H new ATOM 765 N GLU A 49 11.305 12.396 4.967 1.00 0.75 N ATOM 766 CA GLU A 49 11.904 13.721 5.005 1.00 0.83 C ATOM 767 C GLU A 49 10.887 14.760 4.534 1.00 0.82 C ATOM 768 O GLU A 49 10.711 15.809 5.156 1.00 0.93 O ATOM 769 CB GLU A 49 13.147 13.729 4.111 1.00 0.90 C ATOM 770 CG GLU A 49 13.869 15.060 4.047 1.00 1.06 C ATOM 771 CD GLU A 49 15.060 15.020 3.113 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.153 14.601 3.552 1.00 1.99 O ATOM 773 OE2 GLU A 49 14.907 15.398 1.933 1.00 1.96 O ATOM 0 H GLU A 49 11.685 11.796 4.235 1.00 0.75 H new ATOM 0 HA GLU A 49 12.199 13.972 6.024 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.842 12.970 4.471 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.854 13.440 3.101 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.175 15.832 3.715 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.202 15.339 5.047 1.00 1.06 H new ATOM 780 N SER A 50 10.226 14.462 3.423 1.00 0.74 N ATOM 781 CA SER A 50 9.116 15.267 2.952 1.00 0.79 C ATOM 782 C SER A 50 8.021 14.355 2.426 1.00 0.75 C ATOM 783 O SER A 50 8.087 13.873 1.296 1.00 1.26 O ATOM 784 CB SER A 50 9.579 16.243 1.869 1.00 0.96 C ATOM 785 OG SER A 50 10.608 17.088 2.359 1.00 1.72 O ATOM 0 H SER A 50 10.445 13.661 2.830 1.00 0.74 H new ATOM 0 HA SER A 50 8.721 15.855 3.781 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.940 15.688 1.003 1.00 0.96 H new ATOM 0 HB3 SER A 50 8.736 16.847 1.532 1.00 0.96 H new ATOM 0 HG SER A 50 10.891 17.703 1.651 1.00 1.72 H new ATOM 791 N GLU A 51 7.018 14.110 3.256 1.00 0.78 N ATOM 792 CA GLU A 51 5.995 13.121 2.944 1.00 0.71 C ATOM 793 C GLU A 51 5.095 13.577 1.795 1.00 0.74 C ATOM 794 O GLU A 51 4.282 12.806 1.295 1.00 0.80 O ATOM 795 CB GLU A 51 5.157 12.805 4.187 1.00 0.85 C ATOM 796 CG GLU A 51 4.435 14.010 4.768 1.00 1.46 C ATOM 797 CD GLU A 51 3.628 13.660 5.999 1.00 1.68 C ATOM 798 OE1 GLU A 51 2.471 13.214 5.850 1.00 2.09 O ATOM 799 OE2 GLU A 51 4.144 13.839 7.123 1.00 2.02 O ATOM 0 H GLU A 51 6.890 14.582 4.151 1.00 0.78 H new ATOM 0 HA GLU A 51 6.505 12.213 2.621 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.422 12.042 3.933 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.806 12.380 4.952 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.164 14.780 5.021 1.00 1.46 H new ATOM 0 HG3 GLU A 51 3.774 14.434 4.012 1.00 1.46 H new ATOM 806 N GLU A 52 5.265 14.824 1.365 1.00 0.78 N ATOM 807 CA GLU A 52 4.542 15.350 0.209 1.00 0.89 C ATOM 808 C GLU A 52 5.052 14.711 -1.081 1.00 0.78 C ATOM 809 O GLU A 52 4.589 15.030 -2.174 1.00 0.85 O ATOM 810 CB GLU A 52 4.692 16.868 0.136 1.00 1.09 C ATOM 811 CG GLU A 52 6.122 17.329 -0.043 1.00 1.70 C ATOM 812 CD GLU A 52 6.277 18.817 0.169 1.00 2.16 C ATOM 813 OE1 GLU A 52 6.386 19.251 1.330 1.00 2.83 O ATOM 814 OE2 GLU A 52 6.304 19.559 -0.834 1.00 2.43 O ATOM 0 H GLU A 52 5.900 15.492 1.801 1.00 0.78 H new ATOM 0 HA GLU A 52 3.486 15.104 0.325 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.092 17.244 -0.692 1.00 1.09 H new ATOM 0 HB3 GLU A 52 4.289 17.309 1.048 1.00 1.09 H new ATOM 0 HG2 GLU A 52 6.764 16.796 0.659 1.00 1.70 H new ATOM 0 HG3 GLU A 52 6.462 17.070 -1.046 1.00 1.70 H new ATOM 821 N TYR A 53 6.027 13.821 -0.941 1.00 0.65 N ATOM 822 CA TYR A 53 6.529 13.043 -2.061 1.00 0.61 C ATOM 823 C TYR A 53 5.736 11.751 -2.199 1.00 0.52 C ATOM 824 O TYR A 53 6.110 10.865 -2.966 1.00 0.52 O ATOM 825 CB TYR A 53 8.013 12.720 -1.865 1.00 0.62 C ATOM 826 CG TYR A 53 8.927 13.922 -1.909 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.523 15.119 -2.484 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.202 13.850 -1.376 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.370 16.208 -2.525 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.055 14.928 -1.413 1.00 1.01 C ATOM 831 CZ TYR A 53 10.636 16.107 -1.987 1.00 1.25 C ATOM 832 OH TYR A 53 11.488 17.183 -2.036 1.00 1.48 O ATOM 0 H TYR A 53 6.488 13.621 -0.053 1.00 0.65 H new ATOM 0 HA TYR A 53 6.413 13.633 -2.970 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.139 12.219 -0.905 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.323 12.015 -2.636 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.532 15.199 -2.905 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.534 12.928 -0.922 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.043 17.134 -2.976 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.047 14.850 -0.994 1.00 1.01 H new ATOM 0 HH TYR A 53 12.339 16.946 -1.612 1.00 1.48 H new ATOM 842 N ASP A 54 4.648 11.648 -1.436 1.00 0.52 N ATOM 843 CA ASP A 54 3.799 10.464 -1.463 1.00 0.52 C ATOM 844 C ASP A 54 3.299 10.205 -2.879 1.00 0.57 C ATOM 845 O ASP A 54 2.781 11.103 -3.548 1.00 0.68 O ATOM 846 CB ASP A 54 2.623 10.605 -0.486 1.00 0.65 C ATOM 847 CG ASP A 54 1.642 11.691 -0.876 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.938 12.884 -0.652 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.562 11.359 -1.398 1.00 1.22 O ATOM 0 H ASP A 54 4.336 12.374 -0.791 1.00 0.52 H new ATOM 0 HA ASP A 54 4.395 9.609 -1.144 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.095 9.653 -0.426 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.012 10.818 0.510 1.00 0.65 H new ATOM 854 N GLN A 55 3.476 8.981 -3.333 1.00 0.54 N ATOM 855 CA GLN A 55 3.211 8.641 -4.718 1.00 0.60 C ATOM 856 C GLN A 55 2.164 7.548 -4.836 1.00 0.46 C ATOM 857 O GLN A 55 2.078 6.650 -3.999 1.00 0.57 O ATOM 858 CB GLN A 55 4.508 8.209 -5.398 1.00 0.78 C ATOM 859 CG GLN A 55 5.357 7.284 -4.543 1.00 0.87 C ATOM 860 CD GLN A 55 6.666 6.920 -5.204 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.747 6.820 -6.423 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.703 6.729 -4.405 1.00 0.81 N ATOM 0 H GLN A 55 3.803 8.202 -2.762 1.00 0.54 H new ATOM 0 HA GLN A 55 2.816 9.527 -5.216 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.269 7.707 -6.336 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.090 9.095 -5.650 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.559 7.764 -3.585 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.796 6.374 -4.331 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.593 6.822 -3.395 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.613 6.489 -4.799 1.00 0.81 H new ATOM 871 N VAL A 56 1.379 7.632 -5.890 1.00 0.41 N ATOM 872 CA VAL A 56 0.344 6.656 -6.164 1.00 0.37 C ATOM 873 C VAL A 56 0.874 5.610 -7.128 1.00 0.36 C ATOM 874 O VAL A 56 1.136 5.904 -8.295 1.00 0.44 O ATOM 875 CB VAL A 56 -0.918 7.313 -6.764 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.983 6.266 -7.062 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.463 8.376 -5.823 1.00 1.08 C ATOM 0 H VAL A 56 1.440 8.379 -6.582 1.00 0.41 H new ATOM 0 HA VAL A 56 0.065 6.191 -5.218 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.640 7.792 -7.703 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.863 6.752 -7.484 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.591 5.541 -7.776 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.258 5.754 -6.140 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.352 8.829 -6.262 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.722 7.918 -4.868 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.706 9.144 -5.664 1.00 1.08 H new ATOM 887 N LEU A 57 1.040 4.398 -6.633 1.00 0.34 N ATOM 888 CA LEU A 57 1.559 3.309 -7.443 1.00 0.39 C ATOM 889 C LEU A 57 0.548 2.907 -8.501 1.00 0.36 C ATOM 890 O LEU A 57 0.814 2.991 -9.701 1.00 0.48 O ATOM 891 CB LEU A 57 1.898 2.114 -6.555 1.00 0.44 C ATOM 892 CG LEU A 57 3.111 2.311 -5.656 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.327 1.090 -4.780 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.339 2.588 -6.502 1.00 0.77 C ATOM 0 H LEU A 57 0.822 4.141 -5.670 1.00 0.34 H new ATOM 0 HA LEU A 57 2.467 3.647 -7.943 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.034 1.886 -5.931 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.071 1.245 -7.190 1.00 0.44 H new ATOM 0 HG LEU A 57 2.934 3.167 -5.005 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.198 1.248 -4.144 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.447 0.929 -4.157 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.491 0.215 -5.409 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.204 2.728 -5.853 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.519 1.745 -7.169 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.178 3.490 -7.092 1.00 0.77 H new ATOM 906 N ASP A 58 -0.615 2.490 -8.043 1.00 0.31 N ATOM 907 CA ASP A 58 -1.683 2.079 -8.932 1.00 0.35 C ATOM 908 C ASP A 58 -3.011 2.164 -8.200 1.00 0.33 C ATOM 909 O ASP A 58 -3.042 2.204 -6.966 1.00 0.33 O ATOM 910 CB ASP A 58 -1.435 0.654 -9.441 1.00 0.43 C ATOM 911 CG ASP A 58 -2.411 0.237 -10.521 1.00 0.71 C ATOM 912 OD1 ASP A 58 -2.501 0.935 -11.549 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.094 -0.794 -10.345 1.00 1.31 O ATOM 0 H ASP A 58 -0.846 2.427 -7.051 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.711 2.745 -9.794 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.419 0.584 -9.829 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.506 -0.043 -8.606 1.00 0.43 H new ATOM 918 N SER A 59 -4.094 2.214 -8.949 1.00 0.42 N ATOM 919 CA SER A 59 -5.415 2.264 -8.367 1.00 0.43 C ATOM 920 C SER A 59 -6.362 1.357 -9.139 1.00 0.46 C ATOM 921 O SER A 59 -6.541 1.502 -10.351 1.00 0.58 O ATOM 922 CB SER A 59 -5.925 3.708 -8.320 1.00 0.52 C ATOM 923 OG SER A 59 -5.720 4.371 -9.558 1.00 1.09 O ATOM 0 H SER A 59 -4.082 2.221 -9.969 1.00 0.42 H new ATOM 0 HA SER A 59 -5.368 1.900 -7.341 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.987 3.712 -8.075 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.412 4.251 -7.526 1.00 0.52 H new ATOM 0 HG SER A 59 -5.906 3.752 -10.295 1.00 1.09 H new ATOM 929 N VAL A 60 -6.937 0.408 -8.428 1.00 0.39 N ATOM 930 CA VAL A 60 -7.810 -0.589 -9.019 1.00 0.45 C ATOM 931 C VAL A 60 -9.269 -0.250 -8.728 1.00 0.38 C ATOM 932 O VAL A 60 -9.697 -0.231 -7.573 1.00 0.39 O ATOM 933 CB VAL A 60 -7.467 -1.994 -8.478 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.385 -3.057 -9.060 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.014 -2.337 -8.772 1.00 1.11 C ATOM 0 H VAL A 60 -6.812 0.305 -7.421 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.659 -0.588 -10.099 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.617 -1.977 -7.399 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.114 -4.033 -8.657 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.418 -2.830 -8.796 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.282 -3.072 -10.145 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.789 -3.330 -8.384 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.847 -2.322 -9.849 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.363 -1.605 -8.294 1.00 1.11 H new ATOM 945 N LEU A 61 -10.013 0.047 -9.782 1.00 0.40 N ATOM 946 CA LEU A 61 -11.416 0.419 -9.658 1.00 0.39 C ATOM 947 C LEU A 61 -12.302 -0.781 -9.941 1.00 0.38 C ATOM 948 O LEU A 61 -12.061 -1.514 -10.901 1.00 0.57 O ATOM 949 CB LEU A 61 -11.769 1.538 -10.654 1.00 0.51 C ATOM 950 CG LEU A 61 -11.339 2.963 -10.282 1.00 0.62 C ATOM 951 CD1 LEU A 61 -12.032 3.412 -9.013 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.829 3.070 -10.137 1.00 1.34 C ATOM 0 H LEU A 61 -9.666 0.038 -10.741 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.582 0.772 -8.640 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.321 1.289 -11.616 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.850 1.537 -10.796 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.639 3.624 -11.095 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -11.715 4.425 -8.764 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -13.112 3.396 -9.163 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -11.769 2.739 -8.197 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.560 4.093 -9.873 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.490 2.392 -9.354 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.353 2.802 -11.080 1.00 1.34 H new ATOM 964 N VAL A 62 -13.310 -1.004 -9.110 1.00 0.27 N ATOM 965 CA VAL A 62 -14.309 -2.012 -9.430 1.00 0.27 C ATOM 966 C VAL A 62 -15.696 -1.372 -9.470 1.00 0.26 C ATOM 967 O VAL A 62 -16.276 -1.048 -8.433 1.00 0.30 O ATOM 968 CB VAL A 62 -14.302 -3.160 -8.389 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.298 -4.243 -8.776 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.903 -3.750 -8.229 1.00 0.59 C ATOM 0 H VAL A 62 -13.456 -0.513 -8.228 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.065 -2.430 -10.406 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.603 -2.742 -7.428 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.277 -5.039 -8.032 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.300 -3.816 -8.823 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.032 -4.651 -9.751 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.929 -4.553 -7.492 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.564 -4.146 -9.186 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.216 -2.973 -7.894 1.00 0.59 H new ATOM 980 N GLY A 63 -16.181 -1.129 -10.680 1.00 0.28 N ATOM 981 CA GLY A 63 -17.543 -0.683 -10.888 1.00 0.33 C ATOM 982 C GLY A 63 -18.435 -1.793 -11.447 1.00 0.36 C ATOM 983 O GLY A 63 -18.153 -2.287 -12.538 1.00 0.42 O ATOM 0 H GLY A 63 -15.641 -1.236 -11.538 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.956 -0.328 -9.944 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.546 0.163 -11.575 1.00 0.33 H new ATOM 987 N PRO A 64 -19.501 -2.235 -10.758 1.00 0.39 N ATOM 988 CA PRO A 64 -19.800 -1.924 -9.372 1.00 0.39 C ATOM 989 C PRO A 64 -19.379 -3.072 -8.462 1.00 0.38 C ATOM 990 O PRO A 64 -19.055 -4.162 -8.938 1.00 0.41 O ATOM 991 CB PRO A 64 -21.317 -1.801 -9.406 1.00 0.48 C ATOM 992 CG PRO A 64 -21.746 -2.839 -10.392 1.00 0.55 C ATOM 993 CD PRO A 64 -20.572 -3.073 -11.325 1.00 0.48 C ATOM 0 HA PRO A 64 -19.287 -1.040 -8.993 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.753 -1.980 -8.423 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.629 -0.804 -9.716 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.025 -3.762 -9.884 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.621 -2.504 -10.949 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.286 -4.124 -11.352 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.809 -2.781 -12.348 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.363 -2.838 -7.169 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.940 -3.868 -6.241 1.00 0.40 C ATOM 1003 C VAL A 65 -20.151 -4.481 -5.532 1.00 0.41 C ATOM 1004 O VAL A 65 -20.745 -3.857 -4.661 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.942 -3.311 -5.208 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.882 -4.351 -4.904 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.294 -2.029 -5.709 1.00 0.95 C ATOM 0 H VAL A 65 -19.634 -1.955 -6.737 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.436 -4.647 -6.813 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.488 -3.077 -4.294 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.179 -3.951 -4.173 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.356 -5.246 -4.500 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.348 -4.605 -5.820 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.594 -1.658 -4.960 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.759 -2.230 -6.637 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.064 -1.279 -5.890 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.551 -5.703 -5.923 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.740 -6.362 -5.380 1.00 0.48 C ATOM 1019 C PRO A 66 -21.493 -7.036 -4.039 1.00 0.39 C ATOM 1020 O PRO A 66 -20.363 -7.421 -3.722 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.072 -7.398 -6.452 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.753 -7.765 -7.039 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.875 -6.542 -6.930 1.00 0.46 C ATOM 0 HA PRO A 66 -22.541 -5.652 -5.178 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.571 -8.267 -6.023 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.742 -6.987 -7.207 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.312 -8.607 -6.505 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.864 -8.071 -8.079 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.864 -6.804 -6.617 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.789 -6.026 -7.886 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.567 -7.175 -3.269 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.510 -7.756 -1.934 1.00 0.36 C ATOM 1033 C ALA A 67 -21.833 -9.120 -1.941 1.00 0.34 C ATOM 1034 O ALA A 67 -22.147 -9.987 -2.760 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.908 -7.865 -1.345 1.00 0.40 C ATOM 0 H ALA A 67 -23.503 -6.887 -3.554 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.910 -7.092 -1.311 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.850 -8.301 -0.348 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.355 -6.873 -1.282 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.523 -8.500 -1.983 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.907 -9.293 -1.022 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.160 -10.527 -0.926 1.00 0.33 C ATOM 1043 C GLY A 68 -18.699 -10.255 -0.669 1.00 0.27 C ATOM 1044 O GLY A 68 -18.201 -9.177 -0.993 1.00 0.26 O ATOM 0 H GLY A 68 -20.653 -8.590 -0.328 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.566 -11.141 -0.122 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.271 -11.096 -1.849 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.005 -11.202 -0.069 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.596 -11.014 0.219 1.00 0.26 C ATOM 1050 C ARG A 69 -15.745 -11.405 -0.983 1.00 0.26 C ATOM 1051 O ARG A 69 -15.622 -12.582 -1.322 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.184 -11.802 1.461 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.775 -11.489 1.929 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.543 -11.957 3.355 1.00 0.48 C ATOM 1055 NE ARG A 69 -14.731 -13.395 3.498 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.318 -13.967 4.548 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -15.808 -13.214 5.524 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -15.438 -15.288 4.609 1.00 2.78 N ATOM 0 H ARG A 69 -18.388 -12.100 0.226 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.428 -9.957 0.423 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.884 -11.587 2.268 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.261 -12.868 1.248 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.056 -11.970 1.266 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.600 -10.415 1.865 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.532 -11.692 3.663 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.227 -11.434 4.023 1.00 0.48 H new ATOM 0 HE ARG A 69 -14.393 -14.000 2.749 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.735 -12.198 5.470 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -16.258 -13.651 6.328 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -15.080 -15.868 3.850 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.888 -15.723 5.415 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.165 -10.400 -1.620 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.354 -10.598 -2.812 1.00 0.24 C ATOM 1074 C HIS A 70 -12.881 -10.632 -2.440 1.00 0.25 C ATOM 1075 O HIS A 70 -12.454 -9.954 -1.505 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.588 -9.473 -3.825 1.00 0.30 C ATOM 1077 CG HIS A 70 -16.014 -9.314 -4.260 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.550 -9.971 -5.342 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.015 -8.558 -3.749 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.817 -9.626 -5.482 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.122 -8.768 -4.526 1.00 0.47 N ATOM 0 H HIS A 70 -15.243 -9.426 -1.327 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.644 -11.547 -3.263 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.247 -8.533 -3.390 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.972 -9.659 -4.705 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.951 -7.909 -2.888 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.489 -9.984 -6.248 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.034 -8.333 -4.389 1.00 0.47 H new ATOM 1090 N MET A 71 -12.110 -11.413 -3.174 1.00 0.33 N ATOM 1091 CA MET A 71 -10.679 -11.509 -2.950 1.00 0.38 C ATOM 1092 C MET A 71 -9.933 -11.210 -4.241 1.00 0.38 C ATOM 1093 O MET A 71 -10.007 -11.982 -5.196 1.00 0.48 O ATOM 1094 CB MET A 71 -10.316 -12.908 -2.440 1.00 0.47 C ATOM 1095 CG MET A 71 -8.825 -13.119 -2.239 1.00 0.60 C ATOM 1096 SD MET A 71 -8.421 -14.796 -1.709 1.00 0.80 S ATOM 1097 CE MET A 71 -9.240 -14.864 -0.118 1.00 1.80 C ATOM 0 H MET A 71 -12.455 -11.995 -3.937 1.00 0.33 H new ATOM 0 HA MET A 71 -10.388 -10.778 -2.196 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.829 -13.085 -1.495 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.687 -13.650 -3.147 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.303 -12.902 -3.171 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.459 -12.410 -1.496 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.493 -14.934 0.673 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.835 -13.962 0.024 1.00 1.80 H new ATOM 0 HE3 MET A 71 -9.891 -15.738 -0.081 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.231 -10.086 -4.278 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.486 -9.709 -5.466 1.00 0.31 C ATOM 1109 C PHE A 72 -7.039 -9.401 -5.103 1.00 0.29 C ATOM 1110 O PHE A 72 -6.746 -8.953 -3.991 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.143 -8.513 -6.177 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.857 -7.168 -5.559 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.498 -6.756 -4.400 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.946 -6.310 -6.154 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.230 -5.519 -3.849 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.675 -5.073 -5.607 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.319 -4.677 -4.454 1.00 0.29 C ATOM 0 H PHE A 72 -9.163 -9.425 -3.504 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.498 -10.549 -6.160 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.808 -8.498 -7.214 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.222 -8.667 -6.192 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.214 -7.410 -3.924 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.441 -6.614 -7.059 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.733 -5.210 -2.945 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.960 -4.416 -6.081 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.111 -3.708 -4.024 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.140 -9.657 -6.036 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.723 -9.448 -5.810 1.00 0.29 C ATOM 1129 C VAL A 73 -4.295 -8.110 -6.396 1.00 0.30 C ATOM 1130 O VAL A 73 -4.481 -7.849 -7.587 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.872 -10.581 -6.428 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.402 -10.406 -6.073 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.372 -11.945 -5.972 1.00 1.00 C ATOM 0 H VAL A 73 -6.370 -10.013 -6.964 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.556 -9.450 -4.733 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.973 -10.525 -7.512 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.822 -11.214 -6.518 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.046 -9.450 -6.457 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.284 -10.429 -4.990 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.758 -12.726 -6.420 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.308 -12.011 -4.886 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.408 -12.075 -6.283 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.737 -7.268 -5.551 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.291 -5.952 -5.960 1.00 0.25 C ATOM 1145 C PHE A 74 -1.785 -5.986 -6.177 1.00 0.25 C ATOM 1146 O PHE A 74 -1.043 -6.448 -5.310 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.651 -4.929 -4.880 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.677 -3.499 -5.349 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.636 -2.964 -6.089 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.752 -2.690 -5.034 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.667 -1.649 -6.507 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.789 -1.374 -5.445 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.745 -0.852 -6.181 1.00 0.31 C ATOM 0 H PHE A 74 -3.580 -7.475 -4.565 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.782 -5.663 -6.889 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.630 -5.181 -4.473 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -2.934 -5.016 -4.064 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.789 -3.584 -6.342 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.573 -3.093 -4.459 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.850 -1.245 -7.087 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.635 -0.752 -5.191 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.772 0.179 -6.501 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.335 -5.513 -7.332 1.00 0.24 N ATOM 1164 CA GLN A 75 0.089 -5.531 -7.645 1.00 0.27 C ATOM 1165 C GLN A 75 0.526 -4.225 -8.295 1.00 0.32 C ATOM 1166 O GLN A 75 -0.052 -3.783 -9.290 1.00 0.41 O ATOM 1167 CB GLN A 75 0.447 -6.707 -8.558 1.00 0.32 C ATOM 1168 CG GLN A 75 0.210 -8.072 -7.931 1.00 0.49 C ATOM 1169 CD GLN A 75 0.659 -9.219 -8.819 1.00 0.52 C ATOM 1170 OE1 GLN A 75 1.072 -10.272 -8.330 1.00 1.14 O ATOM 1171 NE2 GLN A 75 0.567 -9.038 -10.126 1.00 1.12 N ATOM 0 H GLN A 75 -1.928 -5.116 -8.061 1.00 0.24 H new ATOM 0 HA GLN A 75 0.621 -5.650 -6.701 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.138 -6.633 -9.475 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.496 -6.627 -8.842 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.741 -8.126 -6.981 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -0.851 -8.185 -7.710 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.220 -8.153 -10.495 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.843 -9.784 -10.765 1.00 1.12 H new ATOM 1180 N ALA A 76 1.546 -3.613 -7.719 1.00 0.36 N ATOM 1181 CA ALA A 76 2.116 -2.392 -8.262 1.00 0.46 C ATOM 1182 C ALA A 76 3.630 -2.447 -8.163 1.00 0.40 C ATOM 1183 O ALA A 76 4.173 -2.661 -7.083 1.00 0.48 O ATOM 1184 CB ALA A 76 1.574 -1.183 -7.523 1.00 0.56 C ATOM 0 H ALA A 76 2.000 -3.945 -6.868 1.00 0.36 H new ATOM 0 HA ALA A 76 1.835 -2.302 -9.311 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.010 -0.276 -7.941 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.490 -1.147 -7.630 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.832 -1.256 -6.467 1.00 0.56 H new ATOM 1190 N ASP A 77 4.308 -2.268 -9.286 1.00 0.56 N ATOM 1191 CA ASP A 77 5.756 -2.423 -9.329 1.00 0.61 C ATOM 1192 C ASP A 77 6.480 -1.208 -8.754 1.00 0.43 C ATOM 1193 O ASP A 77 5.858 -0.332 -8.151 1.00 0.47 O ATOM 1194 CB ASP A 77 6.236 -2.733 -10.752 1.00 0.95 C ATOM 1195 CG ASP A 77 5.809 -1.702 -11.772 1.00 1.54 C ATOM 1196 OD1 ASP A 77 4.620 -1.683 -12.141 1.00 2.13 O ATOM 1197 OD2 ASP A 77 6.664 -0.887 -12.189 1.00 2.06 O ATOM 0 H ASP A 77 3.882 -2.016 -10.178 1.00 0.56 H new ATOM 0 HA ASP A 77 6.007 -3.273 -8.695 1.00 0.61 H new ATOM 0 HB2 ASP A 77 7.324 -2.804 -10.752 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.853 -3.709 -11.051 1.00 0.95 H new ATOM 1202 N ALA A 78 7.802 -1.189 -8.937 1.00 0.45 N ATOM 1203 CA ALA A 78 8.689 -0.221 -8.305 1.00 0.36 C ATOM 1204 C ALA A 78 8.191 1.215 -8.420 1.00 0.37 C ATOM 1205 O ALA A 78 7.916 1.709 -9.516 1.00 0.46 O ATOM 1206 CB ALA A 78 10.081 -0.333 -8.904 1.00 0.40 C ATOM 0 H ALA A 78 8.289 -1.855 -9.536 1.00 0.45 H new ATOM 0 HA ALA A 78 8.712 -0.461 -7.242 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.741 0.393 -8.429 1.00 0.40 H new ATOM 0 HB2 ALA A 78 10.468 -1.338 -8.739 1.00 0.40 H new ATOM 0 HB3 ALA A 78 10.034 -0.134 -9.975 1.00 0.40 H new ATOM 1212 N PRO A 79 8.064 1.890 -7.271 1.00 0.34 N ATOM 1213 CA PRO A 79 7.722 3.310 -7.212 1.00 0.43 C ATOM 1214 C PRO A 79 8.785 4.185 -7.870 1.00 0.41 C ATOM 1215 O PRO A 79 9.838 3.700 -8.289 1.00 0.47 O ATOM 1216 CB PRO A 79 7.657 3.608 -5.708 1.00 0.47 C ATOM 1217 CG PRO A 79 7.510 2.282 -5.047 1.00 0.53 C ATOM 1218 CD PRO A 79 8.214 1.302 -5.933 1.00 0.33 C ATOM 0 HA PRO A 79 6.794 3.523 -7.743 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.559 4.118 -5.369 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.815 4.259 -5.473 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.949 2.292 -4.049 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.459 2.018 -4.930 1.00 0.53 H new ATOM 0 HD2 PRO A 79 9.263 1.191 -5.657 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.763 0.311 -5.876 1.00 0.33 H new ATOM 1226 N ASN A 80 8.506 5.476 -7.936 1.00 0.43 N ATOM 1227 CA ASN A 80 9.410 6.440 -8.547 1.00 0.46 C ATOM 1228 C ASN A 80 10.647 6.628 -7.668 1.00 0.40 C ATOM 1229 O ASN A 80 10.556 7.129 -6.543 1.00 0.39 O ATOM 1230 CB ASN A 80 8.670 7.768 -8.745 1.00 0.56 C ATOM 1231 CG ASN A 80 9.454 8.795 -9.539 1.00 1.33 C ATOM 1232 OD1 ASN A 80 10.682 8.847 -9.489 1.00 2.19 O ATOM 1233 ND2 ASN A 80 8.740 9.624 -10.281 1.00 1.59 N ATOM 0 H ASN A 80 7.648 5.887 -7.568 1.00 0.43 H new ATOM 0 HA ASN A 80 9.741 6.073 -9.519 1.00 0.46 H new ATOM 0 HB2 ASN A 80 7.725 7.574 -9.253 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.427 8.186 -7.768 1.00 0.56 H new ATOM 0 HD21 ASN A 80 9.206 10.339 -10.839 1.00 1.59 H new ATOM 0 HD22 ASN A 80 7.723 9.548 -10.295 1.00 1.59 H new ATOM 1240 N PRO A 81 11.823 6.221 -8.174 1.00 0.41 N ATOM 1241 CA PRO A 81 13.087 6.270 -7.429 1.00 0.41 C ATOM 1242 C PRO A 81 13.616 7.690 -7.259 1.00 0.43 C ATOM 1243 O PRO A 81 14.610 7.915 -6.569 1.00 0.48 O ATOM 1244 CB PRO A 81 14.052 5.440 -8.293 1.00 0.47 C ATOM 1245 CG PRO A 81 13.187 4.749 -9.295 1.00 0.54 C ATOM 1246 CD PRO A 81 12.021 5.660 -9.513 1.00 0.48 C ATOM 0 HA PRO A 81 12.967 5.890 -6.414 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.789 6.077 -8.782 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.604 4.721 -7.687 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.727 4.574 -10.225 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.861 3.776 -8.927 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.238 6.432 -10.251 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.141 5.121 -9.864 1.00 0.48 H new ATOM 1254 N GLY A 82 12.958 8.642 -7.908 1.00 0.45 N ATOM 1255 CA GLY A 82 13.317 10.032 -7.748 1.00 0.49 C ATOM 1256 C GLY A 82 12.543 10.674 -6.621 1.00 0.48 C ATOM 1257 O GLY A 82 12.923 11.730 -6.112 1.00 0.51 O ATOM 0 H GLY A 82 12.179 8.472 -8.544 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.386 10.113 -7.550 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.123 10.569 -8.677 1.00 0.49 H new ATOM 1261 N LEU A 83 11.450 10.030 -6.227 1.00 0.46 N ATOM 1262 CA LEU A 83 10.635 10.525 -5.129 1.00 0.49 C ATOM 1263 C LEU A 83 11.127 9.965 -3.805 1.00 0.46 C ATOM 1264 O LEU A 83 11.002 10.615 -2.768 1.00 0.52 O ATOM 1265 CB LEU A 83 9.159 10.179 -5.336 1.00 0.52 C ATOM 1266 CG LEU A 83 8.439 11.018 -6.393 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.018 10.519 -6.592 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.431 12.487 -5.997 1.00 1.34 C ATOM 0 H LEU A 83 11.110 9.167 -6.651 1.00 0.46 H new ATOM 0 HA LEU A 83 10.728 11.611 -5.107 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.084 9.128 -5.615 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.638 10.294 -4.386 1.00 0.52 H new ATOM 0 HG LEU A 83 8.978 10.916 -7.335 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.521 11.128 -7.347 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.040 9.480 -6.920 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.472 10.591 -5.651 1.00 1.60 H new ATOM 0 HD21 LEU A 83 7.914 13.067 -6.762 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.916 12.604 -5.043 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.457 12.844 -5.902 1.00 1.34 H new ATOM 1280 N ILE A 84 11.689 8.761 -3.843 1.00 0.41 N ATOM 1281 CA ILE A 84 12.254 8.158 -2.650 1.00 0.40 C ATOM 1282 C ILE A 84 13.653 8.716 -2.401 1.00 0.46 C ATOM 1283 O ILE A 84 14.575 8.481 -3.185 1.00 0.52 O ATOM 1284 CB ILE A 84 12.313 6.622 -2.773 1.00 0.37 C ATOM 1285 CG1 ILE A 84 10.954 6.077 -3.225 1.00 0.34 C ATOM 1286 CG2 ILE A 84 12.714 6.007 -1.441 1.00 0.39 C ATOM 1287 CD1 ILE A 84 10.939 4.583 -3.471 1.00 0.33 C ATOM 0 H ILE A 84 11.763 8.189 -4.684 1.00 0.41 H new ATOM 0 HA ILE A 84 11.609 8.404 -1.807 1.00 0.40 H new ATOM 0 HB ILE A 84 13.061 6.355 -3.520 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.208 6.317 -2.468 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.655 6.588 -4.140 1.00 0.34 H new ATOM 0 HG21 ILE A 84 12.753 4.922 -1.538 1.00 0.39 H new ATOM 0 HG22 ILE A 84 13.695 6.380 -1.149 1.00 0.39 H new ATOM 0 HG23 ILE A 84 11.982 6.277 -0.680 1.00 0.39 H new ATOM 0 HD11 ILE A 84 9.942 4.276 -3.787 1.00 0.33 H new ATOM 0 HD12 ILE A 84 11.659 4.335 -4.251 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.205 4.060 -2.552 1.00 0.33 H new ATOM 1299 N PRO A 85 13.818 9.484 -1.315 1.00 0.48 N ATOM 1300 CA PRO A 85 15.068 10.177 -0.993 1.00 0.57 C ATOM 1301 C PRO A 85 16.169 9.221 -0.574 1.00 0.56 C ATOM 1302 O PRO A 85 15.905 8.079 -0.194 1.00 0.55 O ATOM 1303 CB PRO A 85 14.680 11.100 0.173 1.00 0.68 C ATOM 1304 CG PRO A 85 13.197 11.115 0.156 1.00 0.81 C ATOM 1305 CD PRO A 85 12.805 9.748 -0.295 1.00 0.50 C ATOM 0 HA PRO A 85 15.470 10.709 -1.855 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.062 10.723 1.122 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.089 12.102 0.040 1.00 0.68 H new ATOM 0 HG2 PRO A 85 12.793 11.336 1.144 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.817 11.879 -0.522 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.839 9.021 0.517 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.794 9.723 -0.703 1.00 0.50 H new ATOM 1313 N ASP A 86 17.398 9.705 -0.627 1.00 0.67 N ATOM 1314 CA ASP A 86 18.573 8.886 -0.372 1.00 0.76 C ATOM 1315 C ASP A 86 18.515 8.247 1.013 1.00 0.78 C ATOM 1316 O ASP A 86 18.867 7.079 1.186 1.00 0.86 O ATOM 1317 CB ASP A 86 19.845 9.731 -0.502 1.00 0.98 C ATOM 1318 CG ASP A 86 19.876 10.546 -1.781 1.00 1.52 C ATOM 1319 OD1 ASP A 86 19.756 9.948 -2.869 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.046 11.779 -1.711 1.00 2.29 O ATOM 0 H ASP A 86 17.611 10.678 -0.848 1.00 0.67 H new ATOM 0 HA ASP A 86 18.591 8.088 -1.114 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.920 10.402 0.354 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.716 9.077 -0.471 1.00 0.98 H new ATOM 1325 N ALA A 87 18.055 9.014 1.991 1.00 0.83 N ATOM 1326 CA ALA A 87 17.970 8.533 3.364 1.00 0.99 C ATOM 1327 C ALA A 87 16.806 7.558 3.545 1.00 0.90 C ATOM 1328 O ALA A 87 16.924 6.565 4.262 1.00 1.07 O ATOM 1329 CB ALA A 87 17.832 9.707 4.326 1.00 1.25 C ATOM 0 H ALA A 87 17.734 9.973 1.860 1.00 0.83 H new ATOM 0 HA ALA A 87 18.892 7.996 3.588 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.769 9.334 5.348 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.700 10.360 4.230 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.928 10.268 4.088 1.00 1.25 H new ATOM 1335 N ASP A 88 15.692 7.831 2.876 1.00 0.76 N ATOM 1336 CA ASP A 88 14.478 7.034 3.058 1.00 0.78 C ATOM 1337 C ASP A 88 14.517 5.753 2.236 1.00 0.62 C ATOM 1338 O ASP A 88 13.847 4.776 2.573 1.00 0.64 O ATOM 1339 CB ASP A 88 13.229 7.844 2.704 1.00 0.99 C ATOM 1340 CG ASP A 88 12.982 8.979 3.673 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.154 8.771 4.891 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.620 10.090 3.222 1.00 1.94 O ATOM 0 H ASP A 88 15.601 8.594 2.205 1.00 0.76 H new ATOM 0 HA ASP A 88 14.432 6.760 4.112 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.334 8.247 1.697 1.00 0.99 H new ATOM 0 HB3 ASP A 88 12.362 7.183 2.694 1.00 0.99 H new ATOM 1347 N ALA A 89 15.293 5.761 1.158 1.00 0.54 N ATOM 1348 CA ALA A 89 15.442 4.582 0.315 1.00 0.49 C ATOM 1349 C ALA A 89 16.127 3.465 1.086 1.00 0.44 C ATOM 1350 O ALA A 89 15.676 2.326 1.085 1.00 0.51 O ATOM 1351 CB ALA A 89 16.235 4.926 -0.936 1.00 0.48 C ATOM 0 H ALA A 89 15.829 6.572 0.848 1.00 0.54 H new ATOM 0 HA ALA A 89 14.451 4.240 0.015 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.339 4.036 -1.557 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.712 5.701 -1.497 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.223 5.288 -0.652 1.00 0.48 H new ATOM 1357 N VAL A 90 17.202 3.815 1.770 1.00 0.41 N ATOM 1358 CA VAL A 90 17.948 2.859 2.572 1.00 0.43 C ATOM 1359 C VAL A 90 17.461 2.934 4.026 1.00 0.43 C ATOM 1360 O VAL A 90 18.246 2.880 4.974 1.00 0.49 O ATOM 1361 CB VAL A 90 19.468 3.137 2.498 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.265 1.988 3.103 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.893 3.369 1.056 1.00 0.54 C ATOM 0 H VAL A 90 17.581 4.762 1.786 1.00 0.41 H new ATOM 0 HA VAL A 90 17.776 1.857 2.179 1.00 0.43 H new ATOM 0 HB VAL A 90 19.675 4.037 3.077 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.330 2.210 3.038 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.984 1.861 4.149 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.052 1.070 2.556 1.00 0.56 H new ATOM 0 HG21 VAL A 90 20.965 3.563 1.019 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.664 2.484 0.462 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.355 4.226 0.651 1.00 0.54 H new ATOM 1373 N GLY A 91 16.150 3.067 4.191 1.00 0.42 N ATOM 1374 CA GLY A 91 15.591 3.298 5.507 1.00 0.46 C ATOM 1375 C GLY A 91 14.176 2.773 5.649 1.00 0.43 C ATOM 1376 O GLY A 91 13.850 1.695 5.144 1.00 0.62 O ATOM 0 H GLY A 91 15.465 3.019 3.436 1.00 0.42 H new ATOM 0 HA2 GLY A 91 16.226 2.822 6.254 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.599 4.368 5.717 1.00 0.46 H new ATOM 1380 N VAL A 92 13.326 3.541 6.324 1.00 0.40 N ATOM 1381 CA VAL A 92 11.970 3.103 6.624 1.00 0.38 C ATOM 1382 C VAL A 92 10.942 3.946 5.874 1.00 0.36 C ATOM 1383 O VAL A 92 11.010 5.175 5.873 1.00 0.55 O ATOM 1384 CB VAL A 92 11.670 3.176 8.141 1.00 0.50 C ATOM 1385 CG1 VAL A 92 10.261 2.682 8.442 1.00 1.07 C ATOM 1386 CG2 VAL A 92 12.697 2.382 8.935 1.00 1.23 C ATOM 0 H VAL A 92 13.555 4.472 6.674 1.00 0.40 H new ATOM 0 HA VAL A 92 11.896 2.065 6.298 1.00 0.38 H new ATOM 0 HB VAL A 92 11.736 4.220 8.446 1.00 0.50 H new ATOM 0 HG11 VAL A 92 10.075 2.743 9.514 1.00 1.07 H new ATOM 0 HG12 VAL A 92 9.537 3.301 7.912 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.161 1.647 8.115 1.00 1.07 H new ATOM 0 HG21 VAL A 92 12.465 2.448 9.998 1.00 1.23 H new ATOM 0 HG22 VAL A 92 12.671 1.338 8.622 1.00 1.23 H new ATOM 0 HG23 VAL A 92 13.691 2.790 8.754 1.00 1.23 H new ATOM 1396 N THR A 93 9.997 3.273 5.239 1.00 0.28 N ATOM 1397 CA THR A 93 8.920 3.927 4.525 1.00 0.28 C ATOM 1398 C THR A 93 7.609 3.204 4.816 1.00 0.27 C ATOM 1399 O THR A 93 7.614 2.129 5.412 1.00 0.41 O ATOM 1400 CB THR A 93 9.181 3.943 3.008 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.365 3.191 2.703 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.334 5.366 2.499 1.00 0.59 C ATOM 0 H THR A 93 9.958 2.254 5.206 1.00 0.28 H new ATOM 0 HA THR A 93 8.859 4.961 4.866 1.00 0.28 H new ATOM 0 HB THR A 93 8.324 3.487 2.512 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.239 2.711 1.858 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.518 5.350 1.425 1.00 0.59 H new ATOM 0 HG22 THR A 93 8.421 5.926 2.703 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.173 5.845 3.004 1.00 0.59 H new ATOM 1410 N VAL A 94 6.491 3.798 4.444 1.00 0.25 N ATOM 1411 CA VAL A 94 5.200 3.154 4.639 1.00 0.25 C ATOM 1412 C VAL A 94 4.523 2.917 3.292 1.00 0.24 C ATOM 1413 O VAL A 94 4.618 3.745 2.386 1.00 0.28 O ATOM 1414 CB VAL A 94 4.273 4.000 5.545 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.969 3.272 5.830 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.976 4.367 6.843 1.00 0.32 C ATOM 0 H VAL A 94 6.447 4.719 4.008 1.00 0.25 H new ATOM 0 HA VAL A 94 5.378 2.199 5.133 1.00 0.25 H new ATOM 0 HB VAL A 94 4.034 4.920 5.011 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.339 3.891 6.469 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.451 3.073 4.892 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.181 2.329 6.334 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.306 4.961 7.464 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.254 3.458 7.376 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.873 4.945 6.620 1.00 0.32 H new ATOM 1426 N VAL A 95 3.870 1.776 3.152 1.00 0.22 N ATOM 1427 CA VAL A 95 3.102 1.482 1.956 1.00 0.22 C ATOM 1428 C VAL A 95 1.645 1.290 2.347 1.00 0.24 C ATOM 1429 O VAL A 95 1.300 0.356 3.074 1.00 0.34 O ATOM 1430 CB VAL A 95 3.652 0.242 1.201 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.766 -0.973 2.114 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.788 -0.072 -0.013 1.00 0.60 C ATOM 0 H VAL A 95 3.857 1.037 3.854 1.00 0.22 H new ATOM 0 HA VAL A 95 3.189 2.321 1.265 1.00 0.22 H new ATOM 0 HB VAL A 95 4.658 0.485 0.859 1.00 0.26 H new ATOM 0 HG11 VAL A 95 4.155 -1.819 1.547 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.443 -0.747 2.938 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.782 -1.223 2.511 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.189 -0.944 -0.529 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.768 -0.279 0.310 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.788 0.782 -0.690 1.00 0.60 H new ATOM 1442 N LEU A 96 0.791 2.202 1.910 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.579 2.197 2.376 1.00 0.26 C ATOM 1444 C LEU A 96 -1.574 1.960 1.259 1.00 0.24 C ATOM 1445 O LEU A 96 -1.444 2.484 0.151 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.909 3.488 3.138 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.724 4.800 2.369 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -2.015 5.208 1.676 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.244 5.904 3.302 1.00 1.21 C ATOM 0 H LEU A 96 1.020 2.941 1.245 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.670 1.356 3.064 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.945 3.432 3.473 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.287 3.525 4.032 1.00 0.44 H new ATOM 0 HG LEU A 96 0.036 4.641 1.604 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.859 6.142 1.137 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.313 4.429 0.974 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.800 5.345 2.420 1.00 1.13 H new ATOM 0 HD21 LEU A 96 -0.118 6.828 2.738 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.979 6.058 4.092 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.710 5.617 3.745 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.560 1.149 1.575 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.670 0.896 0.682 1.00 0.24 C ATOM 1463 C ILE A 97 -4.885 1.648 1.183 1.00 0.26 C ATOM 1464 O ILE A 97 -5.469 1.296 2.209 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.005 -0.606 0.575 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.766 -1.398 0.153 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.142 -0.822 -0.416 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.003 -2.889 0.060 1.00 0.30 C ATOM 0 H ILE A 97 -2.615 0.645 2.460 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.384 1.238 -0.313 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.326 -0.965 1.553 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.423 -1.032 -0.815 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.964 -1.210 0.867 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.369 -1.886 -0.483 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.027 -0.283 -0.078 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.845 -0.452 -1.397 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.082 -3.386 -0.244 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.316 -3.269 1.032 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.782 -3.088 -0.676 1.00 0.30 H new ATOM 1480 N THR A 98 -5.237 2.696 0.472 1.00 0.29 N ATOM 1481 CA THR A 98 -6.361 3.519 0.845 1.00 0.33 C ATOM 1482 C THR A 98 -7.519 3.270 -0.110 1.00 0.28 C ATOM 1483 O THR A 98 -7.317 2.989 -1.294 1.00 0.37 O ATOM 1484 CB THR A 98 -5.981 5.017 0.854 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.082 5.806 1.316 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.559 5.488 -0.532 1.00 1.07 C ATOM 0 H THR A 98 -4.755 2.999 -0.375 1.00 0.29 H new ATOM 0 HA THR A 98 -6.664 3.249 1.857 1.00 0.33 H new ATOM 0 HB THR A 98 -5.137 5.141 1.532 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.933 6.745 1.080 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.298 6.546 -0.493 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.695 4.913 -0.864 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.382 5.343 -1.232 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.722 3.334 0.415 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.909 3.108 -0.386 1.00 0.29 C ATOM 1496 C CYS A 99 -10.725 4.382 -0.508 1.00 0.31 C ATOM 1497 O CYS A 99 -11.220 4.917 0.485 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.748 1.999 0.229 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.833 0.470 0.493 1.00 1.32 S ATOM 0 H CYS A 99 -8.907 3.541 1.396 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.600 2.805 -1.386 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.148 2.343 1.183 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.600 1.796 -0.420 1.00 0.36 H new ATOM 0 HG CYS A 99 -10.099 -0.366 -0.466 1.00 1.32 H new ATOM 1505 N THR A 100 -10.860 4.857 -1.731 1.00 0.34 N ATOM 1506 CA THR A 100 -11.570 6.091 -2.002 1.00 0.38 C ATOM 1507 C THR A 100 -12.979 5.800 -2.518 1.00 0.37 C ATOM 1508 O THR A 100 -13.153 5.061 -3.487 1.00 0.41 O ATOM 1509 CB THR A 100 -10.803 6.940 -3.037 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.435 7.084 -2.623 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.432 8.318 -3.192 1.00 0.50 C ATOM 0 H THR A 100 -10.482 4.400 -2.561 1.00 0.34 H new ATOM 0 HA THR A 100 -11.644 6.649 -1.069 1.00 0.38 H new ATOM 0 HB THR A 100 -10.850 6.430 -3.999 1.00 0.43 H new ATOM 0 HG1 THR A 100 -8.949 7.622 -3.282 1.00 0.47 H new ATOM 0 HG21 THR A 100 -10.870 8.894 -3.928 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.464 8.211 -3.526 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.412 8.837 -2.234 1.00 0.50 H new ATOM 1519 N TYR A 101 -13.975 6.361 -1.847 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.362 6.214 -2.259 1.00 0.40 C ATOM 1521 C TYR A 101 -16.092 7.533 -2.033 1.00 0.44 C ATOM 1522 O TYR A 101 -16.003 8.111 -0.951 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.020 5.081 -1.469 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.408 4.711 -1.946 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.593 3.919 -3.069 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.533 5.168 -1.273 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.862 3.589 -3.509 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -19.803 4.842 -1.706 1.00 0.73 C ATOM 1529 CZ TYR A 101 -19.954 4.011 -2.818 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.228 3.722 -3.261 1.00 0.65 O ATOM 0 H TYR A 101 -13.845 6.927 -1.008 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.412 5.962 -3.318 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.383 4.198 -1.524 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.075 5.370 -0.419 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.732 3.554 -3.609 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.413 5.788 -0.397 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.986 2.995 -4.403 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.671 5.226 -1.190 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.884 4.103 -2.641 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.781 8.020 -3.065 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.449 9.327 -3.030 1.00 0.59 C ATOM 1542 C ARG A 102 -16.424 10.456 -2.948 1.00 0.57 C ATOM 1543 O ARG A 102 -16.768 11.599 -2.647 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.424 9.441 -1.846 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.532 8.399 -1.839 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.370 8.464 -3.102 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.577 7.643 -3.005 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.271 7.215 -4.056 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.812 7.402 -5.288 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.412 6.565 -3.874 1.00 2.45 N ATOM 0 H ARG A 102 -16.893 7.523 -3.949 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.018 9.416 -3.955 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -17.859 9.359 -0.917 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -18.875 10.433 -1.858 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.096 7.405 -1.742 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.171 8.553 -0.970 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.651 9.499 -3.297 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -19.773 8.130 -3.950 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.906 7.383 -2.075 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.921 7.877 -5.434 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.350 7.071 -6.089 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -23.756 6.394 -2.929 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.946 6.236 -4.679 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.163 10.133 -3.224 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.103 11.113 -3.097 1.00 0.53 C ATOM 1566 C GLY A 103 -13.648 11.239 -1.660 1.00 0.49 C ATOM 1567 O GLY A 103 -12.952 12.184 -1.286 1.00 0.57 O ATOM 0 H GLY A 103 -14.859 9.210 -3.533 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.260 10.825 -3.725 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.453 12.080 -3.457 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.065 10.277 -0.854 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.751 10.250 0.559 1.00 0.44 C ATOM 1573 C GLN A 104 -13.196 8.877 0.921 1.00 0.37 C ATOM 1574 O GLN A 104 -13.722 7.853 0.493 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.012 10.570 1.366 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.613 11.922 1.012 1.00 0.66 C ATOM 1577 CD GLN A 104 -16.988 12.148 1.605 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.815 12.846 1.019 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.247 11.573 2.768 1.00 0.98 N ATOM 0 H GLN A 104 -14.634 9.490 -1.166 1.00 0.45 H new ATOM 0 HA GLN A 104 -12.997 11.000 0.795 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.755 9.791 1.194 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.772 10.552 2.429 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -14.943 12.710 1.358 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.675 12.010 -0.073 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -16.536 11.001 3.224 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.158 11.702 3.209 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.124 8.856 1.681 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.440 7.611 1.988 1.00 0.32 C ATOM 1590 C GLU A 105 -11.880 7.082 3.344 1.00 0.32 C ATOM 1591 O GLU A 105 -11.931 7.830 4.317 1.00 0.43 O ATOM 1592 CB GLU A 105 -9.932 7.835 1.932 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.477 8.341 0.572 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.065 8.886 0.584 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.878 10.058 0.976 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.139 8.152 0.192 1.00 1.59 O ATOM 0 H GLU A 105 -11.703 9.685 2.100 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.703 6.856 1.247 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.644 8.553 2.700 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.419 6.901 2.161 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.540 7.528 -0.151 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.159 9.122 0.235 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.217 5.796 3.395 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.814 5.208 4.594 1.00 0.27 C ATOM 1605 C PHE A 106 -11.890 4.212 5.287 1.00 0.26 C ATOM 1606 O PHE A 106 -12.178 3.764 6.394 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.145 4.535 4.248 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.079 3.585 3.083 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.767 2.250 3.284 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.314 4.026 1.789 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.692 1.374 2.221 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.241 3.150 0.722 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.983 1.838 0.924 1.00 0.31 C ATOM 0 H PHE A 106 -12.088 5.142 2.623 1.00 0.26 H new ATOM 0 HA PHE A 106 -12.985 6.026 5.294 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.502 3.992 5.123 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.882 5.307 4.029 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.580 1.891 4.285 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.556 5.064 1.613 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.413 0.343 2.382 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.391 3.517 -0.283 1.00 0.29 H new ATOM 0 HZ PHE A 106 -14.000 1.148 0.093 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.804 3.835 4.642 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.835 2.953 5.273 1.00 0.24 C ATOM 1625 C ILE A 107 -8.454 3.148 4.663 1.00 0.22 C ATOM 1626 O ILE A 107 -8.329 3.531 3.498 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.245 1.462 5.189 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.337 0.612 6.090 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.195 0.970 3.753 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.558 -0.884 5.960 1.00 0.37 C ATOM 0 H ILE A 107 -10.569 4.120 3.691 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.807 3.224 6.328 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.272 1.363 5.541 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.297 0.836 5.854 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.498 0.903 7.128 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.487 -0.080 3.718 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.881 1.558 3.143 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.182 1.078 3.366 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.878 -1.412 6.629 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.588 -1.124 6.226 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.367 -1.192 4.932 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.431 2.899 5.458 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.064 2.979 5.008 1.00 0.24 C ATOM 1644 C ARG A 108 -5.223 1.901 5.681 1.00 0.24 C ATOM 1645 O ARG A 108 -5.065 1.903 6.905 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.509 4.354 5.339 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.039 4.508 5.038 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.512 5.788 5.641 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.722 5.839 7.088 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.194 6.783 7.874 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.484 7.765 7.333 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.378 6.745 9.190 1.00 0.95 N ATOM 0 H ARG A 108 -7.531 2.635 6.438 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.029 2.821 3.930 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.065 5.104 4.778 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.677 4.558 6.397 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.488 3.656 5.437 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.880 4.514 3.960 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.447 5.879 5.426 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.006 6.640 5.173 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.300 5.118 7.519 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.344 7.797 6.323 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -2.079 8.488 7.927 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.925 5.992 9.607 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -2.972 7.469 9.783 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.710 0.978 4.881 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.824 -0.067 5.372 1.00 0.22 C ATOM 1668 C VAL A 109 -2.370 0.365 5.238 1.00 0.24 C ATOM 1669 O VAL A 109 -1.823 0.366 4.141 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.031 -1.388 4.598 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.941 -2.393 4.944 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.407 -1.967 4.889 1.00 0.27 C ATOM 0 H VAL A 109 -4.895 0.932 3.879 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.064 -0.233 6.422 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.967 -1.173 3.531 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.107 -3.316 4.388 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.968 -1.980 4.680 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -2.967 -2.604 6.013 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.535 -2.897 4.335 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.500 -2.165 5.957 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.173 -1.255 4.584 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.757 0.741 6.346 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.381 1.192 6.313 1.00 0.25 C ATOM 1684 C GLY A 110 0.593 0.143 6.809 1.00 0.21 C ATOM 1685 O GLY A 110 0.707 -0.083 8.010 1.00 0.27 O ATOM 0 H GLY A 110 -2.187 0.743 7.271 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.119 1.470 5.292 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.283 2.090 6.923 1.00 0.25 H new ATOM 1689 N TYR A 111 1.283 -0.511 5.894 1.00 0.23 N ATOM 1690 CA TYR A 111 2.346 -1.431 6.272 1.00 0.24 C ATOM 1691 C TYR A 111 3.677 -0.710 6.250 1.00 0.23 C ATOM 1692 O TYR A 111 3.974 0.035 5.318 1.00 0.27 O ATOM 1693 CB TYR A 111 2.416 -2.640 5.340 1.00 0.32 C ATOM 1694 CG TYR A 111 1.283 -3.626 5.504 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.042 -4.240 6.725 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.438 -3.922 4.443 1.00 0.30 C ATOM 1697 CE1 TYR A 111 -0.006 -5.126 6.883 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.613 -4.804 4.594 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.768 -5.479 5.793 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.879 -6.278 5.972 1.00 0.40 O ATOM 0 H TYR A 111 1.130 -0.425 4.889 1.00 0.23 H new ATOM 0 HA TYR A 111 2.125 -1.791 7.277 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.427 -2.287 4.309 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.359 -3.159 5.509 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.684 -4.022 7.565 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.606 -3.455 3.484 1.00 0.30 H new ATOM 0 HE1 TYR A 111 -0.226 -5.539 7.856 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.309 -4.966 3.784 1.00 0.32 H new ATOM 0 HH TYR A 111 -2.257 -6.117 6.862 1.00 0.40 H new ATOM 1710 N TYR A 112 4.473 -0.920 7.276 1.00 0.25 N ATOM 1711 CA TYR A 112 5.780 -0.301 7.344 1.00 0.25 C ATOM 1712 C TYR A 112 6.800 -1.143 6.602 1.00 0.27 C ATOM 1713 O TYR A 112 7.123 -2.258 7.004 1.00 0.33 O ATOM 1714 CB TYR A 112 6.203 -0.086 8.795 1.00 0.29 C ATOM 1715 CG TYR A 112 5.445 1.031 9.475 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.084 0.916 9.725 1.00 0.50 C ATOM 1717 CD2 TYR A 112 6.091 2.193 9.883 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.388 1.927 10.358 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.402 3.206 10.516 1.00 0.60 C ATOM 1720 CZ TYR A 112 4.052 3.100 10.703 1.00 0.64 C ATOM 1721 OH TYR A 112 3.359 4.084 11.377 1.00 0.78 O ATOM 0 H TYR A 112 4.240 -1.513 8.073 1.00 0.25 H new ATOM 0 HA TYR A 112 5.726 0.676 6.863 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.052 -1.011 9.352 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.270 0.135 8.827 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.561 0.022 9.420 1.00 0.50 H new ATOM 0 HD2 TYR A 112 7.150 2.304 9.701 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.338 1.808 10.583 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.929 4.082 10.864 1.00 0.60 H new ATOM 0 HH TYR A 112 3.954 4.843 11.551 1.00 0.78 H new ATOM 1731 N VAL A 113 7.290 -0.609 5.503 1.00 0.27 N ATOM 1732 CA VAL A 113 8.258 -1.304 4.687 1.00 0.31 C ATOM 1733 C VAL A 113 9.671 -0.836 5.015 1.00 0.28 C ATOM 1734 O VAL A 113 9.951 0.362 5.069 1.00 0.31 O ATOM 1735 CB VAL A 113 7.966 -1.122 3.180 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.754 0.341 2.826 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.089 -1.708 2.342 1.00 1.19 C ATOM 0 H VAL A 113 7.029 0.313 5.153 1.00 0.27 H new ATOM 0 HA VAL A 113 8.178 -2.367 4.915 1.00 0.31 H new ATOM 0 HB VAL A 113 7.044 -1.659 2.958 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.551 0.431 1.759 1.00 0.96 H new ATOM 0 HG12 VAL A 113 6.908 0.733 3.391 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.651 0.909 3.074 1.00 0.96 H new ATOM 0 HG21 VAL A 113 8.864 -1.570 1.284 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.024 -1.203 2.583 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.185 -2.772 2.556 1.00 1.19 H new ATOM 1747 N ASN A 114 10.543 -1.788 5.274 1.00 0.29 N ATOM 1748 CA ASN A 114 11.941 -1.488 5.547 1.00 0.32 C ATOM 1749 C ASN A 114 12.791 -1.919 4.366 1.00 0.32 C ATOM 1750 O ASN A 114 12.726 -3.071 3.941 1.00 0.35 O ATOM 1751 CB ASN A 114 12.417 -2.190 6.827 1.00 0.42 C ATOM 1752 CG ASN A 114 11.949 -1.503 8.102 1.00 0.84 C ATOM 1753 OD1 ASN A 114 12.598 -1.599 9.143 1.00 1.63 O ATOM 1754 ND2 ASN A 114 10.831 -0.799 8.035 1.00 1.28 N ATOM 0 H ASN A 114 10.311 -2.781 5.302 1.00 0.29 H new ATOM 0 HA ASN A 114 12.043 -0.413 5.697 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.057 -3.219 6.824 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.506 -2.234 6.825 1.00 0.42 H new ATOM 0 HD21 ASN A 114 10.483 -0.315 8.863 1.00 1.28 H new ATOM 0 HD22 ASN A 114 10.317 -0.740 7.156 1.00 1.28 H new ATOM 1761 N ASN A 115 13.562 -0.991 3.823 1.00 0.34 N ATOM 1762 CA ASN A 115 14.381 -1.278 2.656 1.00 0.39 C ATOM 1763 C ASN A 115 15.857 -1.138 2.993 1.00 0.43 C ATOM 1764 O ASN A 115 16.300 -0.095 3.472 1.00 0.50 O ATOM 1765 CB ASN A 115 14.029 -0.350 1.485 1.00 0.48 C ATOM 1766 CG ASN A 115 12.572 -0.434 1.063 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.182 -1.317 0.297 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.761 0.500 1.540 1.00 0.60 N ATOM 0 H ASN A 115 13.638 -0.035 4.170 1.00 0.34 H new ATOM 0 HA ASN A 115 14.176 -2.306 2.356 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.260 0.678 1.764 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.661 -0.598 0.632 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.776 0.504 1.275 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.122 1.214 2.172 1.00 0.60 H new ATOM 1775 N GLU A 116 16.606 -2.199 2.755 1.00 0.42 N ATOM 1776 CA GLU A 116 18.044 -2.199 2.982 1.00 0.50 C ATOM 1777 C GLU A 116 18.721 -3.083 1.945 1.00 0.45 C ATOM 1778 O GLU A 116 18.081 -3.944 1.357 1.00 0.54 O ATOM 1779 CB GLU A 116 18.374 -2.705 4.390 1.00 0.69 C ATOM 1780 CG GLU A 116 18.022 -4.169 4.613 1.00 1.26 C ATOM 1781 CD GLU A 116 18.503 -4.680 5.953 1.00 1.58 C ATOM 1782 OE1 GLU A 116 19.728 -4.712 6.182 1.00 1.97 O ATOM 1783 OE2 GLU A 116 17.655 -5.062 6.785 1.00 1.87 O ATOM 0 H GLU A 116 16.239 -3.082 2.401 1.00 0.42 H new ATOM 0 HA GLU A 116 18.411 -1.177 2.891 1.00 0.50 H new ATOM 0 HB2 GLU A 116 19.439 -2.564 4.577 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.839 -2.097 5.120 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.941 -4.294 4.546 1.00 1.26 H new ATOM 0 HG3 GLU A 116 18.463 -4.771 3.818 1.00 1.26 H new ATOM 1790 N TYR A 117 20.008 -2.868 1.717 1.00 0.46 N ATOM 1791 CA TYR A 117 20.754 -3.655 0.747 1.00 0.46 C ATOM 1792 C TYR A 117 20.823 -5.123 1.160 1.00 0.52 C ATOM 1793 O TYR A 117 20.756 -5.451 2.344 1.00 0.60 O ATOM 1794 CB TYR A 117 22.162 -3.095 0.588 1.00 0.48 C ATOM 1795 CG TYR A 117 22.193 -1.670 0.089 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.994 -1.379 -1.256 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.416 -0.614 0.963 1.00 0.54 C ATOM 1798 CE1 TYR A 117 22.015 -0.079 -1.712 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.438 0.687 0.512 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.261 0.945 -0.833 1.00 0.60 C ATOM 1801 OH TYR A 117 22.263 2.244 -1.272 1.00 0.69 O ATOM 0 H TYR A 117 20.559 -2.153 2.192 1.00 0.46 H new ATOM 0 HA TYR A 117 20.231 -3.594 -0.207 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.675 -3.146 1.548 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.719 -3.726 -0.105 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.820 -2.184 -1.954 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.575 -0.816 2.012 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.839 0.133 -2.756 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.593 1.500 1.206 1.00 0.59 H new ATOM 0 HH TYR A 117 22.453 2.843 -0.520 1.00 0.69 H new ATOM 1811 N THR A 118 20.971 -5.991 0.174 1.00 0.54 N ATOM 1812 CA THR A 118 21.011 -7.426 0.406 1.00 0.65 C ATOM 1813 C THR A 118 22.435 -7.901 0.657 1.00 0.74 C ATOM 1814 O THR A 118 22.689 -8.728 1.534 1.00 0.84 O ATOM 1815 CB THR A 118 20.428 -8.184 -0.799 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.753 -7.487 -2.016 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.921 -8.330 -0.673 1.00 0.77 C ATOM 0 H THR A 118 21.066 -5.724 -0.806 1.00 0.54 H new ATOM 0 HA THR A 118 20.409 -7.633 1.291 1.00 0.65 H new ATOM 0 HB THR A 118 20.867 -9.182 -0.823 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.381 -7.974 -2.781 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.534 -8.869 -1.538 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.684 -8.883 0.236 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.462 -7.342 -0.627 1.00 0.77 H new ATOM 1825 N GLU A 119 23.360 -7.358 -0.118 1.00 0.78 N ATOM 1826 CA GLU A 119 24.756 -7.751 -0.030 1.00 0.92 C ATOM 1827 C GLU A 119 25.435 -7.051 1.138 1.00 0.95 C ATOM 1828 O GLU A 119 25.251 -5.849 1.348 1.00 0.90 O ATOM 1829 CB GLU A 119 25.464 -7.451 -1.351 1.00 1.00 C ATOM 1830 CG GLU A 119 24.985 -8.348 -2.480 1.00 1.29 C ATOM 1831 CD GLU A 119 25.437 -7.888 -3.849 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.655 -7.887 -4.114 1.00 1.67 O ATOM 1833 OE2 GLU A 119 24.564 -7.539 -4.669 1.00 2.24 O ATOM 0 H GLU A 119 23.168 -6.641 -0.818 1.00 0.78 H new ATOM 0 HA GLU A 119 24.815 -8.824 0.152 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.296 -6.409 -1.622 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.539 -7.577 -1.221 1.00 1.00 H new ATOM 0 HG2 GLU A 119 25.348 -9.361 -2.308 1.00 1.29 H new ATOM 0 HG3 GLU A 119 23.896 -8.392 -2.461 1.00 1.29 H new ATOM 1840 N THR A 120 26.220 -7.819 1.880 1.00 1.07 N ATOM 1841 CA THR A 120 26.827 -7.371 3.126 1.00 1.14 C ATOM 1842 C THR A 120 27.588 -6.057 2.953 1.00 1.12 C ATOM 1843 O THR A 120 27.427 -5.132 3.748 1.00 1.13 O ATOM 1844 CB THR A 120 27.782 -8.450 3.665 1.00 1.31 C ATOM 1845 OG1 THR A 120 27.120 -9.722 3.662 1.00 1.36 O ATOM 1846 CG2 THR A 120 28.246 -8.120 5.073 1.00 1.41 C ATOM 0 H THR A 120 26.456 -8.780 1.632 1.00 1.07 H new ATOM 0 HA THR A 120 26.019 -7.199 3.837 1.00 1.14 H new ATOM 0 HB THR A 120 28.658 -8.486 3.017 1.00 1.31 H new ATOM 0 HG1 THR A 120 27.730 -10.409 4.004 1.00 1.36 H new ATOM 0 HG21 THR A 120 28.919 -8.901 5.427 1.00 1.41 H new ATOM 0 HG22 THR A 120 28.769 -7.164 5.069 1.00 1.41 H new ATOM 0 HG23 THR A 120 27.383 -8.058 5.736 1.00 1.41 H new ATOM 1854 N GLU A 121 28.389 -5.971 1.898 1.00 1.13 N ATOM 1855 CA GLU A 121 29.204 -4.789 1.646 1.00 1.14 C ATOM 1856 C GLU A 121 28.335 -3.562 1.444 1.00 1.03 C ATOM 1857 O GLU A 121 28.660 -2.465 1.902 1.00 1.09 O ATOM 1858 CB GLU A 121 30.058 -5.001 0.415 1.00 1.18 C ATOM 1859 CG GLU A 121 31.085 -3.910 0.186 1.00 1.27 C ATOM 1860 CD GLU A 121 31.980 -4.207 -0.991 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.546 -4.001 -2.142 1.00 2.21 O ATOM 1862 OE2 GLU A 121 33.119 -4.663 -0.769 1.00 2.05 O ATOM 0 H GLU A 121 28.492 -6.709 1.201 1.00 1.13 H new ATOM 0 HA GLU A 121 29.842 -4.629 2.515 1.00 1.14 H new ATOM 0 HB2 GLU A 121 30.572 -5.958 0.502 1.00 1.18 H new ATOM 0 HB3 GLU A 121 29.409 -5.065 -0.459 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.574 -2.961 0.021 1.00 1.27 H new ATOM 0 HG3 GLU A 121 31.694 -3.793 1.083 1.00 1.27 H new ATOM 1869 N LEU A 122 27.227 -3.758 0.759 1.00 0.90 N ATOM 1870 CA LEU A 122 26.310 -2.672 0.480 1.00 0.82 C ATOM 1871 C LEU A 122 25.574 -2.256 1.750 1.00 0.82 C ATOM 1872 O LEU A 122 25.216 -1.093 1.914 1.00 0.83 O ATOM 1873 CB LEU A 122 25.331 -3.088 -0.615 1.00 0.75 C ATOM 1874 CG LEU A 122 25.986 -3.477 -1.941 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.943 -3.975 -2.923 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.742 -2.294 -2.525 1.00 0.87 C ATOM 0 H LEU A 122 26.939 -4.662 0.384 1.00 0.90 H new ATOM 0 HA LEU A 122 26.875 -1.809 0.126 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.741 -3.931 -0.255 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.637 -2.267 -0.795 1.00 0.75 H new ATOM 0 HG LEU A 122 26.695 -4.283 -1.753 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.427 -4.247 -3.861 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.440 -4.848 -2.508 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.212 -3.188 -3.107 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.203 -2.587 -3.469 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.050 -1.470 -2.699 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.516 -1.976 -1.826 1.00 0.87 H new ATOM 1888 N ARG A 123 25.369 -3.209 2.655 1.00 0.86 N ATOM 1889 CA ARG A 123 24.768 -2.910 3.950 1.00 0.94 C ATOM 1890 C ARG A 123 25.746 -2.094 4.784 1.00 1.11 C ATOM 1891 O ARG A 123 25.347 -1.251 5.592 1.00 1.19 O ATOM 1892 CB ARG A 123 24.400 -4.195 4.698 1.00 0.98 C ATOM 1893 CG ARG A 123 23.556 -5.162 3.885 1.00 0.89 C ATOM 1894 CD ARG A 123 23.210 -6.409 4.683 1.00 1.00 C ATOM 1895 NE ARG A 123 22.144 -6.168 5.655 1.00 1.20 N ATOM 1896 CZ ARG A 123 22.108 -6.701 6.875 1.00 1.56 C ATOM 1897 NH1 ARG A 123 23.145 -7.382 7.345 1.00 1.82 N ATOM 1898 NH2 ARG A 123 21.043 -6.512 7.638 1.00 2.03 N ATOM 0 H ARG A 123 25.609 -4.191 2.516 1.00 0.86 H new ATOM 0 HA ARG A 123 23.854 -2.340 3.783 1.00 0.94 H new ATOM 0 HB2 ARG A 123 25.316 -4.699 5.007 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.859 -3.932 5.607 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.639 -4.667 3.567 1.00 0.89 H new ATOM 0 HG3 ARG A 123 24.095 -5.446 2.981 1.00 0.89 H new ATOM 0 HD2 ARG A 123 22.904 -7.201 4.000 1.00 1.00 H new ATOM 0 HD3 ARG A 123 24.100 -6.763 5.203 1.00 1.00 H new ATOM 0 HE ARG A 123 21.379 -5.552 5.381 1.00 1.20 H new ATOM 0 HH11 ARG A 123 23.980 -7.501 6.771 1.00 1.82 H new ATOM 0 HH12 ARG A 123 23.108 -7.786 8.281 1.00 1.82 H new ATOM 0 HH21 ARG A 123 20.258 -5.962 7.290 1.00 2.03 H new ATOM 0 HH22 ARG A 123 21.008 -6.917 8.574 1.00 2.03 H new ATOM 1912 N GLU A 124 27.033 -2.361 4.578 1.00 1.20 N ATOM 1913 CA GLU A 124 28.094 -1.616 5.236 1.00 1.39 C ATOM 1914 C GLU A 124 28.163 -0.191 4.704 1.00 1.37 C ATOM 1915 O GLU A 124 28.254 0.765 5.475 1.00 1.49 O ATOM 1916 CB GLU A 124 29.451 -2.297 5.023 1.00 1.53 C ATOM 1917 CG GLU A 124 29.546 -3.708 5.580 1.00 1.66 C ATOM 1918 CD GLU A 124 30.905 -4.338 5.335 1.00 2.03 C ATOM 1919 OE1 GLU A 124 31.186 -4.737 4.184 1.00 2.84 O ATOM 1920 OE2 GLU A 124 31.697 -4.442 6.294 1.00 2.06 O ATOM 0 H GLU A 124 27.365 -3.096 3.953 1.00 1.20 H new ATOM 0 HA GLU A 124 27.867 -1.593 6.302 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.664 -2.327 3.954 1.00 1.53 H new ATOM 0 HB3 GLU A 124 30.226 -1.685 5.485 1.00 1.53 H new ATOM 0 HG2 GLU A 124 29.347 -3.687 6.651 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.774 -4.328 5.124 1.00 1.66 H new ATOM 1927 N ASN A 125 28.121 -0.044 3.383 1.00 1.27 N ATOM 1928 CA ASN A 125 28.329 1.257 2.770 1.00 1.30 C ATOM 1929 C ASN A 125 27.287 1.546 1.701 1.00 1.14 C ATOM 1930 O ASN A 125 27.351 0.989 0.605 1.00 1.10 O ATOM 1931 CB ASN A 125 29.721 1.336 2.128 1.00 1.45 C ATOM 1932 CG ASN A 125 30.848 1.048 3.101 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.362 1.950 3.762 1.00 2.19 O ATOM 1934 ND2 ASN A 125 31.250 -0.210 3.180 1.00 1.62 N ATOM 0 H ASN A 125 27.946 -0.803 2.725 1.00 1.27 H new ATOM 0 HA ASN A 125 28.240 1.999 3.564 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.773 0.627 1.302 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.862 2.330 1.704 1.00 1.45 H new ATOM 0 HD21 ASN A 125 32.014 -0.463 3.807 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.796 -0.927 2.614 1.00 1.62 H new ATOM 1941 N PRO A 126 26.290 2.387 2.009 1.00 1.13 N ATOM 1942 CA PRO A 126 25.424 2.968 0.988 1.00 1.06 C ATOM 1943 C PRO A 126 26.246 3.768 -0.015 1.00 1.09 C ATOM 1944 O PRO A 126 26.896 4.751 0.352 1.00 1.19 O ATOM 1945 CB PRO A 126 24.493 3.893 1.774 1.00 1.15 C ATOM 1946 CG PRO A 126 24.506 3.344 3.159 1.00 1.23 C ATOM 1947 CD PRO A 126 25.896 2.807 3.364 1.00 1.24 C ATOM 0 HA PRO A 126 24.884 2.214 0.416 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.846 4.924 1.752 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.486 3.892 1.356 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.272 4.118 3.890 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.760 2.558 3.277 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.568 3.567 3.763 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.907 1.972 4.065 1.00 1.24 H new ATOM 1955 N PRO A 127 26.252 3.332 -1.280 1.00 1.05 N ATOM 1956 CA PRO A 127 27.014 3.984 -2.356 1.00 1.13 C ATOM 1957 C PRO A 127 26.667 5.467 -2.505 1.00 1.19 C ATOM 1958 O PRO A 127 25.686 5.938 -1.921 1.00 1.14 O ATOM 1959 CB PRO A 127 26.615 3.187 -3.601 1.00 1.11 C ATOM 1960 CG PRO A 127 26.207 1.858 -3.065 1.00 1.01 C ATOM 1961 CD PRO A 127 25.518 2.156 -1.772 1.00 0.97 C ATOM 0 HA PRO A 127 28.087 3.978 -2.165 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.798 3.669 -4.138 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.446 3.097 -4.300 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.542 1.341 -3.757 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.072 1.212 -2.912 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.459 2.371 -1.917 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.581 1.319 -1.077 1.00 0.97 H new ATOM 1969 N VAL A 128 27.505 6.195 -3.258 1.00 1.34 N ATOM 1970 CA VAL A 128 27.350 7.643 -3.475 1.00 1.44 C ATOM 1971 C VAL A 128 25.882 8.052 -3.660 1.00 1.22 C ATOM 1972 O VAL A 128 25.477 9.132 -3.245 1.00 1.28 O ATOM 1973 CB VAL A 128 28.191 8.121 -4.687 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.720 7.481 -5.985 1.00 1.92 C ATOM 1975 CG2 VAL A 128 28.169 9.640 -4.794 1.00 2.16 C ATOM 0 H VAL A 128 28.313 5.795 -3.736 1.00 1.34 H new ATOM 0 HA VAL A 128 27.719 8.132 -2.573 1.00 1.44 H new ATOM 0 HB VAL A 128 29.220 7.802 -4.519 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.333 7.840 -6.811 1.00 1.92 H new ATOM 0 HG12 VAL A 128 27.811 6.397 -5.910 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.678 7.746 -6.164 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.765 9.953 -5.651 1.00 2.16 H new ATOM 0 HG22 VAL A 128 27.142 9.981 -4.923 1.00 2.16 H new ATOM 0 HG23 VAL A 128 28.584 10.075 -3.885 1.00 2.16 H new ATOM 1985 N LYS A 129 25.103 7.187 -4.291 1.00 1.07 N ATOM 1986 CA LYS A 129 23.655 7.311 -4.294 1.00 0.88 C ATOM 1987 C LYS A 129 23.046 5.940 -4.043 1.00 0.76 C ATOM 1988 O LYS A 129 23.454 4.959 -4.667 1.00 0.80 O ATOM 1989 CB LYS A 129 23.143 7.908 -5.608 1.00 1.00 C ATOM 1990 CG LYS A 129 23.404 9.403 -5.734 1.00 1.12 C ATOM 1991 CD LYS A 129 22.689 10.184 -4.640 1.00 1.29 C ATOM 1992 CE LYS A 129 23.148 11.634 -4.591 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.598 11.744 -4.281 1.00 1.96 N ATOM 0 H LYS A 129 25.455 6.384 -4.812 1.00 1.07 H new ATOM 0 HA LYS A 129 23.355 7.996 -3.501 1.00 0.88 H new ATOM 0 HB2 LYS A 129 23.618 7.392 -6.443 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.071 7.725 -5.688 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.476 9.593 -5.678 1.00 1.12 H new ATOM 0 HG3 LYS A 129 23.069 9.752 -6.711 1.00 1.12 H new ATOM 0 HD2 LYS A 129 21.613 10.149 -4.812 1.00 1.29 H new ATOM 0 HD3 LYS A 129 22.874 9.711 -3.675 1.00 1.29 H new ATOM 0 HE2 LYS A 129 22.944 12.112 -5.549 1.00 1.46 H new ATOM 0 HE3 LYS A 129 22.573 12.172 -3.837 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 24.747 12.496 -3.578 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 24.941 10.840 -3.899 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 25.122 11.974 -5.149 1.00 1.96 H new ATOM 2007 N PRO A 130 22.100 5.849 -3.091 1.00 0.66 N ATOM 2008 CA PRO A 130 21.446 4.591 -2.722 1.00 0.57 C ATOM 2009 C PRO A 130 20.900 3.831 -3.923 1.00 0.52 C ATOM 2010 O PRO A 130 20.440 4.426 -4.900 1.00 0.64 O ATOM 2011 CB PRO A 130 20.316 5.023 -1.779 1.00 0.55 C ATOM 2012 CG PRO A 130 20.209 6.498 -1.956 1.00 0.64 C ATOM 2013 CD PRO A 130 21.594 6.959 -2.282 1.00 0.71 C ATOM 0 HA PRO A 130 22.149 3.897 -2.261 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.379 4.526 -2.032 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.545 4.765 -0.745 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.513 6.748 -2.756 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.838 6.977 -1.050 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.592 7.899 -2.834 1.00 0.71 H new ATOM 0 HD3 PRO A 130 22.193 7.117 -1.385 1.00 0.71 H new ATOM 2021 N ASP A 131 20.940 2.515 -3.830 1.00 0.45 N ATOM 2022 CA ASP A 131 20.641 1.664 -4.970 1.00 0.45 C ATOM 2023 C ASP A 131 19.384 0.856 -4.714 1.00 0.39 C ATOM 2024 O ASP A 131 19.343 0.018 -3.813 1.00 0.39 O ATOM 2025 CB ASP A 131 21.815 0.732 -5.267 1.00 0.53 C ATOM 2026 CG ASP A 131 21.609 -0.067 -6.536 1.00 0.82 C ATOM 2027 OD1 ASP A 131 20.856 -1.065 -6.504 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.189 0.296 -7.574 1.00 1.06 O ATOM 0 H ASP A 131 21.177 2.010 -2.976 1.00 0.45 H new ATOM 0 HA ASP A 131 20.475 2.302 -5.838 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.729 1.320 -5.355 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.954 0.049 -4.429 1.00 0.53 H new ATOM 2033 N PHE A 132 18.364 1.110 -5.514 1.00 0.38 N ATOM 2034 CA PHE A 132 17.064 0.482 -5.334 1.00 0.35 C ATOM 2035 C PHE A 132 17.056 -0.950 -5.875 1.00 0.37 C ATOM 2036 O PHE A 132 16.194 -1.752 -5.518 1.00 0.38 O ATOM 2037 CB PHE A 132 15.983 1.318 -6.028 1.00 0.38 C ATOM 2038 CG PHE A 132 15.841 2.721 -5.488 1.00 0.38 C ATOM 2039 CD1 PHE A 132 16.808 3.682 -5.747 1.00 0.46 C ATOM 2040 CD2 PHE A 132 14.740 3.080 -4.724 1.00 0.35 C ATOM 2041 CE1 PHE A 132 16.679 4.967 -5.256 1.00 0.50 C ATOM 2042 CE2 PHE A 132 14.608 4.365 -4.233 1.00 0.40 C ATOM 2043 CZ PHE A 132 15.578 5.308 -4.498 1.00 0.46 C ATOM 0 H PHE A 132 18.411 1.754 -6.304 1.00 0.38 H new ATOM 0 HA PHE A 132 16.854 0.434 -4.266 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.210 1.372 -7.093 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.026 0.805 -5.932 1.00 0.38 H new ATOM 0 HD1 PHE A 132 17.672 3.422 -6.340 1.00 0.46 H new ATOM 0 HD2 PHE A 132 13.977 2.346 -4.510 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.440 5.704 -5.466 1.00 0.50 H new ATOM 0 HE2 PHE A 132 13.744 4.631 -3.641 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.476 6.312 -4.113 1.00 0.46 H new ATOM 2053 N SER A 133 18.022 -1.272 -6.724 1.00 0.42 N ATOM 2054 CA SER A 133 18.093 -2.588 -7.347 1.00 0.47 C ATOM 2055 C SER A 133 18.634 -3.629 -6.369 1.00 0.48 C ATOM 2056 O SER A 133 18.253 -4.800 -6.411 1.00 0.62 O ATOM 2057 CB SER A 133 18.981 -2.526 -8.591 1.00 0.54 C ATOM 2058 OG SER A 133 18.577 -1.474 -9.456 1.00 1.46 O ATOM 0 H SER A 133 18.771 -0.637 -6.999 1.00 0.42 H new ATOM 0 HA SER A 133 17.085 -2.886 -7.636 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.019 -2.378 -8.294 1.00 0.54 H new ATOM 0 HB3 SER A 133 18.934 -3.476 -9.123 1.00 0.54 H new ATOM 0 HG SER A 133 17.609 -1.339 -9.378 1.00 1.46 H new ATOM 2064 N LYS A 134 19.495 -3.184 -5.467 1.00 0.40 N ATOM 2065 CA LYS A 134 20.136 -4.071 -4.507 1.00 0.43 C ATOM 2066 C LYS A 134 19.334 -4.093 -3.229 1.00 0.39 C ATOM 2067 O LYS A 134 19.705 -4.737 -2.243 1.00 0.46 O ATOM 2068 CB LYS A 134 21.558 -3.590 -4.219 1.00 0.48 C ATOM 2069 CG LYS A 134 22.507 -3.738 -5.399 1.00 0.65 C ATOM 2070 CD LYS A 134 22.721 -5.198 -5.761 1.00 0.78 C ATOM 2071 CE LYS A 134 23.721 -5.356 -6.896 1.00 1.00 C ATOM 2072 NZ LYS A 134 24.074 -6.782 -7.129 1.00 1.87 N ATOM 0 H LYS A 134 19.768 -2.205 -5.379 1.00 0.40 H new ATOM 0 HA LYS A 134 20.182 -5.077 -4.923 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.524 -2.542 -3.921 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.956 -4.149 -3.372 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.105 -3.204 -6.260 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.465 -3.278 -5.157 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.076 -5.742 -4.885 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.769 -5.645 -6.050 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.304 -4.931 -7.809 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.624 -4.791 -6.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.040 -6.843 -7.509 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.021 -7.304 -6.231 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 23.407 -7.198 -7.811 1.00 1.87 H new ATOM 2086 N LEU A 135 18.222 -3.391 -3.270 1.00 0.41 N ATOM 2087 CA LEU A 135 17.423 -3.158 -2.096 1.00 0.40 C ATOM 2088 C LEU A 135 16.434 -4.285 -1.857 1.00 0.41 C ATOM 2089 O LEU A 135 15.724 -4.727 -2.762 1.00 0.46 O ATOM 2090 CB LEU A 135 16.695 -1.831 -2.236 1.00 0.41 C ATOM 2091 CG LEU A 135 16.942 -0.849 -1.099 1.00 0.36 C ATOM 2092 CD1 LEU A 135 18.431 -0.606 -0.906 1.00 0.79 C ATOM 2093 CD2 LEU A 135 16.215 0.458 -1.364 1.00 0.74 C ATOM 0 H LEU A 135 17.850 -2.968 -4.120 1.00 0.41 H new ATOM 0 HA LEU A 135 18.086 -3.122 -1.231 1.00 0.40 H new ATOM 0 HB2 LEU A 135 16.996 -1.364 -3.174 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.625 -2.024 -2.305 1.00 0.41 H new ATOM 0 HG LEU A 135 16.551 -1.284 -0.179 1.00 0.36 H new ATOM 0 HD11 LEU A 135 18.582 0.099 -0.088 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.926 -1.548 -0.669 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.854 -0.194 -1.822 1.00 0.79 H new ATOM 0 HD21 LEU A 135 16.401 1.151 -0.543 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.577 0.894 -2.295 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.145 0.269 -1.444 1.00 0.74 H new ATOM 2105 N GLN A 136 16.419 -4.738 -0.624 1.00 0.40 N ATOM 2106 CA GLN A 136 15.509 -5.760 -0.161 1.00 0.41 C ATOM 2107 C GLN A 136 14.342 -5.083 0.523 1.00 0.38 C ATOM 2108 O GLN A 136 14.527 -4.333 1.484 1.00 0.44 O ATOM 2109 CB GLN A 136 16.242 -6.694 0.811 1.00 0.46 C ATOM 2110 CG GLN A 136 15.503 -7.983 1.148 1.00 0.58 C ATOM 2111 CD GLN A 136 14.752 -7.926 2.470 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.278 -6.879 2.891 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.650 -9.062 3.141 1.00 0.72 N ATOM 0 H GLN A 136 17.053 -4.399 0.100 1.00 0.40 H new ATOM 0 HA GLN A 136 15.142 -6.356 -0.996 1.00 0.41 H new ATOM 0 HB2 GLN A 136 17.211 -6.950 0.383 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.435 -6.151 1.736 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.797 -8.207 0.348 1.00 0.58 H new ATOM 0 HG3 GLN A 136 16.219 -8.804 1.181 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.057 -9.917 2.761 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.165 -9.083 4.038 1.00 0.72 H new ATOM 2122 N ARG A 137 13.154 -5.309 0.004 1.00 0.36 N ATOM 2123 CA ARG A 137 11.970 -4.737 0.586 1.00 0.35 C ATOM 2124 C ARG A 137 11.365 -5.708 1.586 1.00 0.35 C ATOM 2125 O ARG A 137 10.900 -6.790 1.212 1.00 0.39 O ATOM 2126 CB ARG A 137 10.958 -4.408 -0.508 1.00 0.43 C ATOM 2127 CG ARG A 137 9.621 -3.945 0.031 1.00 1.02 C ATOM 2128 CD ARG A 137 8.513 -4.093 -0.996 1.00 1.29 C ATOM 2129 NE ARG A 137 8.456 -5.444 -1.564 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.466 -6.586 -0.865 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.300 -6.582 0.448 1.00 2.82 N ATOM 2132 NH2 ARG A 137 8.598 -7.738 -1.495 1.00 2.05 N ATOM 0 H ARG A 137 12.988 -5.886 -0.821 1.00 0.36 H new ATOM 0 HA ARG A 137 12.237 -3.817 1.105 1.00 0.35 H new ATOM 0 HB2 ARG A 137 11.370 -3.632 -1.153 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.805 -5.291 -1.129 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.370 -4.521 0.921 1.00 1.02 H new ATOM 0 HG3 ARG A 137 9.695 -2.901 0.337 1.00 1.02 H new ATOM 0 HD2 ARG A 137 7.556 -3.856 -0.531 1.00 1.29 H new ATOM 0 HD3 ARG A 137 8.665 -3.370 -1.798 1.00 1.29 H new ATOM 0 HE ARG A 137 8.404 -5.520 -2.580 1.00 1.00 H new ATOM 0 HH11 ARG A 137 8.162 -5.700 0.942 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.310 -7.461 0.966 1.00 2.82 H new ATOM 0 HH21 ARG A 137 8.692 -7.756 -2.511 1.00 2.05 H new ATOM 0 HH22 ARG A 137 8.606 -8.610 -0.966 1.00 2.05 H new ATOM 2146 N ASN A 138 11.394 -5.346 2.853 1.00 0.35 N ATOM 2147 CA ASN A 138 10.707 -6.130 3.861 1.00 0.39 C ATOM 2148 C ASN A 138 9.493 -5.372 4.358 1.00 0.39 C ATOM 2149 O ASN A 138 9.609 -4.432 5.144 1.00 0.49 O ATOM 2150 CB ASN A 138 11.611 -6.483 5.039 1.00 0.45 C ATOM 2151 CG ASN A 138 10.924 -7.447 5.991 1.00 0.52 C ATOM 2152 OD1 ASN A 138 10.171 -8.324 5.562 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.142 -7.269 7.283 1.00 0.67 N ATOM 0 H ASN A 138 11.881 -4.522 3.207 1.00 0.35 H new ATOM 0 HA ASN A 138 10.401 -7.066 3.393 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.535 -6.929 4.671 1.00 0.45 H new ATOM 0 HB3 ASN A 138 11.887 -5.574 5.574 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.679 -7.869 7.966 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.773 -6.531 7.597 1.00 0.67 H new ATOM 2160 N ILE A 139 8.336 -5.750 3.851 1.00 0.37 N ATOM 2161 CA ILE A 139 7.085 -5.180 4.303 1.00 0.36 C ATOM 2162 C ILE A 139 6.681 -5.828 5.611 1.00 0.37 C ATOM 2163 O ILE A 139 6.361 -7.016 5.652 1.00 0.46 O ATOM 2164 CB ILE A 139 5.984 -5.375 3.249 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.425 -4.750 1.938 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.677 -4.756 3.696 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.415 -4.901 0.822 1.00 0.48 C ATOM 0 H ILE A 139 8.238 -6.455 3.120 1.00 0.37 H new ATOM 0 HA ILE A 139 7.219 -4.109 4.455 1.00 0.36 H new ATOM 0 HB ILE A 139 5.822 -6.445 3.116 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.620 -3.690 2.099 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.366 -5.204 1.628 1.00 0.42 H new ATOM 0 HG21 ILE A 139 3.919 -4.912 2.928 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.352 -5.223 4.626 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.817 -3.687 3.856 1.00 0.43 H new ATOM 0 HD11 ILE A 139 5.799 -4.430 -0.083 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.237 -5.960 0.633 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.479 -4.422 1.111 1.00 0.48 H new ATOM 2179 N LEU A 140 6.723 -5.049 6.674 1.00 0.35 N ATOM 2180 CA LEU A 140 6.440 -5.563 8.002 1.00 0.39 C ATOM 2181 C LEU A 140 4.948 -5.776 8.184 1.00 0.36 C ATOM 2182 O LEU A 140 4.230 -4.893 8.654 1.00 0.37 O ATOM 2183 CB LEU A 140 6.988 -4.621 9.078 1.00 0.47 C ATOM 2184 CG LEU A 140 8.510 -4.497 9.121 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.926 -3.450 10.141 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.146 -5.839 9.445 1.00 0.99 C ATOM 0 H LEU A 140 6.951 -4.055 6.645 1.00 0.35 H new ATOM 0 HA LEU A 140 6.940 -6.526 8.109 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.563 -3.630 8.921 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.640 -4.966 10.052 1.00 0.47 H new ATOM 0 HG LEU A 140 8.859 -4.181 8.138 1.00 0.54 H new ATOM 0 HD11 LEU A 140 10.013 -3.373 10.160 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.499 -2.485 9.867 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.565 -3.740 11.128 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.230 -5.731 9.471 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.792 -6.184 10.416 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.872 -6.566 8.680 1.00 0.99 H new ATOM 2198 N ALA A 141 4.486 -6.955 7.786 1.00 0.39 N ATOM 2199 CA ALA A 141 3.082 -7.315 7.907 1.00 0.42 C ATOM 2200 C ALA A 141 2.725 -7.590 9.364 1.00 0.49 C ATOM 2201 O ALA A 141 1.560 -7.785 9.709 1.00 0.55 O ATOM 2202 CB ALA A 141 2.767 -8.526 7.038 1.00 0.48 C ATOM 0 H ALA A 141 5.070 -7.682 7.374 1.00 0.39 H new ATOM 0 HA ALA A 141 2.478 -6.477 7.559 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.713 -8.783 7.140 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.985 -8.292 5.996 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.378 -9.371 7.356 1.00 0.48 H new ATOM 2208 N SER A 142 3.745 -7.606 10.211 1.00 0.52 N ATOM 2209 CA SER A 142 3.561 -7.793 11.638 1.00 0.62 C ATOM 2210 C SER A 142 3.121 -6.479 12.286 1.00 0.61 C ATOM 2211 O SER A 142 2.649 -6.461 13.423 1.00 0.70 O ATOM 2212 CB SER A 142 4.863 -8.300 12.269 1.00 0.72 C ATOM 2213 OG SER A 142 4.696 -8.591 13.647 1.00 1.42 O ATOM 0 H SER A 142 4.718 -7.490 9.927 1.00 0.52 H new ATOM 0 HA SER A 142 2.782 -8.537 11.806 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.197 -9.196 11.745 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.644 -7.549 12.147 1.00 0.72 H new ATOM 0 HG SER A 142 5.544 -8.913 14.018 1.00 1.42 H new ATOM 2219 N ASN A 143 3.268 -5.381 11.553 1.00 0.56 N ATOM 2220 CA ASN A 143 2.845 -4.077 12.043 1.00 0.60 C ATOM 2221 C ASN A 143 1.894 -3.433 11.038 1.00 0.49 C ATOM 2222 O ASN A 143 2.317 -2.688 10.153 1.00 0.49 O ATOM 2223 CB ASN A 143 4.056 -3.172 12.295 1.00 0.74 C ATOM 2224 CG ASN A 143 3.711 -1.919 13.089 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.598 -1.399 13.024 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.672 -1.428 13.854 1.00 1.91 N ATOM 0 H ASN A 143 3.677 -5.369 10.618 1.00 0.56 H new ATOM 0 HA ASN A 143 2.323 -4.210 12.991 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.818 -3.737 12.832 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.490 -2.881 11.338 1.00 0.74 H new ATOM 0 HD21 ASN A 143 4.501 -0.593 14.414 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.584 -1.885 13.884 1.00 1.91 H new ATOM 2233 N PRO A 144 0.601 -3.758 11.134 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.421 -3.226 10.257 1.00 0.43 C ATOM 2235 C PRO A 144 -1.070 -1.967 10.825 1.00 0.39 C ATOM 2236 O PRO A 144 -1.818 -2.025 11.804 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.441 -4.372 10.180 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.116 -5.305 11.316 1.00 0.66 C ATOM 2239 CD PRO A 144 0.017 -4.688 12.097 1.00 0.60 C ATOM 0 HA PRO A 144 -0.021 -2.925 9.289 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.459 -3.993 10.268 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.374 -4.888 9.222 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.987 -5.451 11.954 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.831 -6.286 10.937 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.339 -4.175 12.991 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.738 -5.437 12.425 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.766 -0.828 10.228 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.384 0.424 10.625 1.00 0.33 C ATOM 2249 C ARG A 145 -2.750 0.543 9.967 1.00 0.30 C ATOM 2250 O ARG A 145 -2.878 1.075 8.864 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.507 1.613 10.227 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.053 2.969 10.654 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.798 3.259 12.127 1.00 1.21 C ATOM 2254 NE ARG A 145 -1.519 2.354 13.025 1.00 1.63 N ATOM 2255 CZ ARG A 145 -1.551 2.498 14.349 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -0.921 3.517 14.925 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -2.214 1.621 15.093 1.00 3.15 N ATOM 0 H ARG A 145 -0.094 -0.745 9.465 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.497 0.432 11.709 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.483 1.480 10.663 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.382 1.610 9.144 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.594 3.750 10.048 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.125 3.004 10.460 1.00 0.98 H new ATOM 0 HD2 ARG A 145 0.271 3.183 12.326 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.091 4.286 12.345 1.00 1.21 H new ATOM 0 HE ARG A 145 -2.025 1.570 12.614 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -0.412 4.191 14.353 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -0.947 3.625 15.939 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -2.697 0.839 14.651 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -2.240 1.729 16.107 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.759 0.006 10.626 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.107 0.043 10.095 1.00 0.39 C ATOM 2273 C VAL A 146 -5.832 1.276 10.608 1.00 0.40 C ATOM 2274 O VAL A 146 -6.228 1.343 11.768 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.906 -1.225 10.475 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.301 -1.190 9.865 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.157 -2.477 10.041 1.00 1.11 C ATOM 0 H VAL A 146 -3.670 -0.460 11.529 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.034 0.082 9.008 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.014 -1.249 11.559 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.844 -2.092 10.146 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.837 -0.315 10.232 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.222 -1.138 8.779 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.734 -3.360 10.316 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.014 -2.459 8.961 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.186 -2.510 10.535 1.00 1.11 H new ATOM 2287 N THR A 147 -5.964 2.267 9.746 1.00 0.40 N ATOM 2288 CA THR A 147 -6.690 3.470 10.090 1.00 0.42 C ATOM 2289 C THR A 147 -7.939 3.583 9.239 1.00 0.35 C ATOM 2290 O THR A 147 -7.861 3.829 8.039 1.00 0.33 O ATOM 2291 CB THR A 147 -5.825 4.726 9.888 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.522 4.523 10.453 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.476 5.941 10.534 1.00 0.52 C ATOM 0 H THR A 147 -5.577 2.260 8.802 1.00 0.40 H new ATOM 0 HA THR A 147 -6.962 3.403 11.143 1.00 0.42 H new ATOM 0 HB THR A 147 -5.733 4.906 8.817 1.00 0.47 H new ATOM 0 HG1 THR A 147 -3.932 4.125 9.779 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.846 6.817 10.378 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.454 6.112 10.084 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.595 5.765 11.603 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.086 3.380 9.854 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.337 3.519 9.143 1.00 0.34 C ATOM 2303 C ARG A 148 -10.970 4.864 9.459 1.00 0.37 C ATOM 2304 O ARG A 148 -10.894 5.357 10.587 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.288 2.360 9.462 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.606 2.188 10.940 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.429 0.929 11.179 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.773 0.747 12.588 1.00 1.48 N ATOM 2309 CZ ARG A 148 -12.950 -0.444 13.165 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -12.745 -1.563 12.483 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -13.315 -0.519 14.438 1.00 3.00 N ATOM 0 H ARG A 148 -9.177 3.120 10.836 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.135 3.480 8.073 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.221 2.513 8.919 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.850 1.435 9.088 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.679 2.135 11.511 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.153 3.059 11.301 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.344 0.978 10.588 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.870 0.061 10.829 1.00 0.88 H new ATOM 0 HE ARG A 148 -12.885 1.580 13.165 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -12.449 -1.519 11.508 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -12.883 -2.468 12.934 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -13.461 0.334 14.978 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -13.450 -1.430 14.877 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.569 5.456 8.448 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.130 6.788 8.547 1.00 0.36 C ATOM 2327 C PHE A 149 -13.647 6.720 8.450 1.00 0.38 C ATOM 2328 O PHE A 149 -14.202 5.751 7.933 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.588 7.665 7.414 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.102 7.552 7.202 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.222 8.262 8.004 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.587 6.736 6.212 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -7.858 8.162 7.820 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.221 6.630 6.023 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.362 7.339 6.792 1.00 0.40 C ATOM 0 H PHE A 149 -11.681 5.026 7.530 1.00 0.33 H new ATOM 0 HA PHE A 149 -11.848 7.219 9.507 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.097 7.398 6.488 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -11.835 8.705 7.625 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.609 8.902 8.783 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.259 6.175 5.579 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.179 8.709 8.457 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.836 5.976 5.255 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.298 7.273 6.617 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.316 7.747 8.940 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.762 7.825 8.837 1.00 0.51 C ATOM 2347 C HIS A 150 -16.151 8.733 7.679 1.00 0.52 C ATOM 2348 O HIS A 150 -15.850 9.928 7.685 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.376 8.344 10.144 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.870 8.490 10.094 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -18.500 9.707 9.943 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.858 7.565 10.165 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -19.805 9.527 9.929 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.053 8.237 10.057 1.00 2.73 N ATOM 0 H HIS A 150 -13.882 8.539 9.413 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.149 6.823 8.653 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.113 7.663 10.954 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -15.933 9.311 10.384 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.731 6.499 10.284 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -20.548 10.305 9.829 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -20.979 7.809 10.073 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.807 8.162 6.684 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.281 8.930 5.546 1.00 0.50 C ATOM 2365 C ILE A 151 -18.761 8.682 5.324 1.00 0.49 C ATOM 2366 O ILE A 151 -19.408 7.982 6.108 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.524 8.581 4.245 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.761 7.119 3.847 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.038 8.850 4.409 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.380 6.815 2.415 1.00 0.64 C ATOM 0 H ILE A 151 -17.024 7.166 6.641 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.099 9.979 5.780 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.909 9.217 3.448 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.189 6.472 4.512 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.813 6.877 3.994 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.519 8.599 3.484 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.882 9.904 4.638 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.645 8.240 5.222 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.574 5.764 2.202 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.970 7.436 1.742 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.321 7.026 2.268 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.292 9.257 4.261 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.661 9.001 3.866 1.00 0.51 C ATOM 2384 C ASN A 152 -20.685 8.288 2.519 1.00 0.49 C ATOM 2385 O ASN A 152 -20.257 8.824 1.498 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.477 10.303 3.835 1.00 0.62 C ATOM 2387 CG ASN A 152 -20.940 11.343 2.870 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.043 12.115 3.210 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.498 11.389 1.670 1.00 1.33 N ATOM 0 H ASN A 152 -18.792 9.907 3.654 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.128 8.350 4.605 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.507 10.068 3.565 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.500 10.730 4.838 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.187 12.082 0.989 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.239 10.732 1.427 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.151 7.052 2.540 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.227 6.239 1.334 1.00 0.59 C ATOM 2398 C TRP A 153 -22.459 6.633 0.537 1.00 0.72 C ATOM 2399 O TRP A 153 -22.538 6.427 -0.676 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.305 4.754 1.694 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.171 4.263 2.547 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.838 4.694 3.799 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.241 3.223 2.224 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.756 3.995 4.267 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.372 3.086 3.322 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.059 2.397 1.114 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.339 2.158 3.342 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.033 1.475 1.134 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.186 1.360 2.242 1.00 0.53 C ATOM 0 H TRP A 153 -21.485 6.585 3.383 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.331 6.408 0.738 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.244 4.568 2.216 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.331 4.170 0.774 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.353 5.473 4.342 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.310 4.131 5.174 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.709 2.478 0.255 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.681 2.070 4.194 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.881 0.831 0.280 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.395 0.625 2.228 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.405 7.224 1.244 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.644 7.670 0.667 1.00 0.99 C ATOM 2422 C GLU A 154 -24.605 9.173 0.577 1.00 0.96 C ATOM 2423 O GLU A 154 -23.817 9.823 1.269 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.834 7.235 1.526 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.923 5.735 1.735 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.983 4.968 0.430 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -26.744 5.383 -0.469 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -25.263 3.958 0.300 1.00 2.07 O ATOM 0 H GLU A 154 -23.326 7.406 2.245 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.765 7.228 -0.322 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.767 7.724 2.498 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.755 7.582 1.057 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.060 5.400 2.310 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.809 5.506 2.328 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.436 9.725 -0.265 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.487 11.159 -0.417 1.00 1.07 C ATOM 2437 C ASP A 155 -26.446 11.763 0.592 1.00 1.02 C ATOM 2438 O ASP A 155 -27.587 12.098 0.269 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.875 11.519 -1.840 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.898 13.016 -2.075 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -24.945 13.702 -1.649 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.865 13.515 -2.692 1.00 1.86 O ATOM 0 H ASP A 155 -26.087 9.208 -0.856 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.498 11.575 -0.223 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.172 11.057 -2.533 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.859 11.105 -2.061 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.990 11.835 1.833 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.777 12.422 2.903 1.00 1.31 C ATOM 2449 C ASN A 156 -26.190 13.767 3.299 1.00 1.59 C ATOM 2450 O ASN A 156 -26.066 14.639 2.416 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.809 11.489 4.118 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.424 10.139 3.811 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -27.042 9.128 4.395 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -28.385 10.109 2.898 1.00 2.27 N ATOM 2455 OXT ASN A 156 -25.856 13.951 4.488 1.00 2.05 O ATOM 0 H ASN A 156 -25.074 11.492 2.123 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.797 12.566 2.547 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -25.793 11.344 4.485 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -27.373 11.965 4.920 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.834 9.225 2.659 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -28.675 10.970 2.434 1.00 2.27 H new TER 2462 ASN A 156