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= -2.77! K(o=-8.7!,f=-5.2) USER MOD Set 1.2: A 152 ASN : amide:sc= -5.75! K(o=-8.7!,f=-4.7) USER MOD Set 1.3: A 156 ASN : amide:sc= -0.208 K(o=-8.7,f=-4.8) USER MOD Set 2.1: A 8 ASN : amide:sc= 1.45 K(o=2.3,f=0.57) USER MOD Set 2.2: A 27 THR OG1 : rot 21:sc= 1.12 USER MOD Set 2.3: A 71 MET CE :methyl -176:sc= -0.23 (180deg=-0.322) USER MOD Set 3.1: A 30 CYS SG : rot 170:sc= -1 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.692 K(o=-0.31,f=-2.8!) USER MOD Set 4.1: A 44 TYR OH : rot 130:sc= 0.361 USER MOD Set 4.2: A 93 THR OG1 : rot -103:sc= 1.24 USER MOD Set 4.3: A 115 ASN : amide:sc= 0.385 K(o=2,f=0.53) USER MOD Single : A 1 MET CE :methyl -117:sc= -2.28 (180deg=-3) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.075 (180deg=-0.161) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= -2.29! (180deg=-3.66!) USER MOD Single : A 5 GLN : amide:sc= 0.438 K(o=0.44,f=-0.09) USER MOD Single : A 7 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.107 K(o=0.11,f=-8.3!) USER MOD Single : A 16 SER OG : rot 160:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.24! K(o=-3.2!,f=-0.74) USER MOD Single : A 23 GLN : amide:sc= -4.88! K(o=-4.9!,f=-0.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -108:sc= -1.07! 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= -2.65! X(o=-2.7!,f=-2.2) USER MOD Single : A 59 SER OG : rot 40:sc= 0.136 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 31:sc= 0.471 USER MOD Single : A 99 CYS SG : rot 115:sc= -0.625 USER MOD Single : A 100 THR OG1 : rot 167:sc= 0.994 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.085 USER MOD Single : A 111 TYR OH : rot 137:sc=-0.00206 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.596 K(o=-0.6,f=-2!) USER MOD Single : A 117 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.875 K(o=0.88,f=-0.87) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0175) USER MOD Single : A 133 SER OG : rot -30:sc= 0.17 USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.16) USER MOD Single : A 136 GLN : amide:sc= -3.31! K(o=-3.3!,f=-1.9) USER MOD Single : A 138 ASN : amide:sc= -0.0406 K(o=-0.041,f=-0.86) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.322 K(o=-0.32,f=-3!) USER MOD Single : A 147 THR OG1 : rot -130:sc= 0.989 USER MOD Single : A 150 HIS : no HD1:sc= -0.642 K(o=-0.64,f=0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.544 0.593 9.233 1.00 2.96 N ATOM 2 CA MET A 1 -22.384 1.690 8.251 1.00 2.49 C ATOM 3 C MET A 1 -21.565 1.238 7.045 1.00 1.61 C ATOM 4 O MET A 1 -21.652 1.830 5.973 1.00 2.04 O ATOM 5 CB MET A 1 -21.705 2.904 8.896 1.00 2.65 C ATOM 6 CG MET A 1 -20.252 2.666 9.281 1.00 2.26 C ATOM 7 SD MET A 1 -19.448 4.143 9.930 1.00 2.63 S ATOM 8 CE MET A 1 -19.607 5.256 8.537 1.00 2.46 C ATOM 0 H1 MET A 1 -23.161 0.909 10.009 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.970 -0.232 8.765 1.00 2.96 H new ATOM 0 H3 MET A 1 -21.613 0.331 9.616 1.00 2.96 H new ATOM 0 HA MET A 1 -23.382 1.971 7.915 1.00 2.49 H new ATOM 0 HB2 MET A 1 -21.754 3.745 8.205 1.00 2.65 H new ATOM 0 HB3 MET A 1 -22.264 3.190 9.787 1.00 2.65 H new ATOM 0 HG2 MET A 1 -20.204 1.874 10.029 1.00 2.26 H new ATOM 0 HG3 MET A 1 -19.703 2.313 8.408 1.00 2.26 H new ATOM 0 HE1 MET A 1 -18.616 5.522 8.169 1.00 2.46 H new ATOM 0 HE2 MET A 1 -20.170 4.766 7.743 1.00 2.46 H new ATOM 0 HE3 MET A 1 -20.131 6.159 8.850 1.00 2.46 H new ATOM 18 N ALA A 2 -20.769 0.191 7.217 1.00 0.91 N ATOM 19 CA ALA A 2 -19.859 -0.246 6.170 1.00 0.66 C ATOM 20 C ALA A 2 -20.578 -1.024 5.072 1.00 0.57 C ATOM 21 O ALA A 2 -21.283 -1.993 5.340 1.00 0.68 O ATOM 22 CB ALA A 2 -18.739 -1.085 6.766 1.00 1.48 C ATOM 0 H ALA A 2 -20.736 -0.369 8.069 1.00 0.91 H new ATOM 0 HA ALA A 2 -19.436 0.647 5.710 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.064 -1.407 5.973 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.187 -0.490 7.494 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.163 -1.960 7.259 1.00 1.48 H new ATOM 28 N LYS A 3 -20.412 -0.573 3.832 1.00 0.46 N ATOM 29 CA LYS A 3 -20.875 -1.333 2.676 1.00 0.45 C ATOM 30 C LYS A 3 -19.792 -2.318 2.248 1.00 0.35 C ATOM 31 O LYS A 3 -20.056 -3.279 1.531 1.00 0.36 O ATOM 32 CB LYS A 3 -21.230 -0.412 1.498 1.00 0.54 C ATOM 33 CG LYS A 3 -22.652 0.150 1.511 1.00 0.82 C ATOM 34 CD LYS A 3 -22.851 1.222 2.572 1.00 0.81 C ATOM 35 CE LYS A 3 -23.500 0.676 3.834 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.916 0.266 3.613 1.00 0.98 N ATOM 0 H LYS A 3 -19.961 0.313 3.602 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.778 -1.871 2.965 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.528 0.422 1.486 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.084 -0.965 0.570 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.882 0.568 0.531 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.358 -0.662 1.685 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.887 1.663 2.824 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.470 2.021 2.165 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -22.928 -0.180 4.192 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.462 1.434 4.616 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.166 -0.492 4.280 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.542 1.083 3.766 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.029 -0.079 2.639 1.00 0.98 H new ATOM 50 N VAL A 4 -18.576 -2.066 2.716 1.00 0.32 N ATOM 51 CA VAL A 4 -17.427 -2.914 2.441 1.00 0.29 C ATOM 52 C VAL A 4 -16.589 -3.042 3.703 1.00 0.33 C ATOM 53 O VAL A 4 -16.212 -2.043 4.316 1.00 0.45 O ATOM 54 CB VAL A 4 -16.553 -2.366 1.275 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.078 -2.706 1.467 1.00 0.31 C ATOM 56 CG2 VAL A 4 -17.028 -2.934 -0.050 1.00 0.27 C ATOM 0 H VAL A 4 -18.360 -1.260 3.302 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.797 -3.891 2.131 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.659 -1.281 1.273 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.501 -2.307 0.633 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.721 -2.266 2.398 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.956 -3.788 1.507 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.408 -2.543 -0.857 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.951 -4.021 -0.028 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.066 -2.647 -0.218 1.00 0.27 H new ATOM 66 N GLN A 5 -16.336 -4.267 4.103 1.00 0.30 N ATOM 67 CA GLN A 5 -15.529 -4.534 5.271 1.00 0.34 C ATOM 68 C GLN A 5 -14.433 -5.519 4.910 1.00 0.31 C ATOM 69 O GLN A 5 -14.704 -6.682 4.610 1.00 0.32 O ATOM 70 CB GLN A 5 -16.411 -5.080 6.396 1.00 0.41 C ATOM 71 CG GLN A 5 -15.673 -5.399 7.689 1.00 0.72 C ATOM 72 CD GLN A 5 -14.876 -4.226 8.233 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.400 -3.384 8.963 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.592 -4.190 7.917 1.00 1.39 N ATOM 0 H GLN A 5 -16.682 -5.102 3.631 1.00 0.30 H new ATOM 0 HA GLN A 5 -15.066 -3.612 5.621 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.193 -4.352 6.611 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.906 -5.985 6.044 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.394 -5.719 8.441 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.999 -6.238 7.517 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.196 -4.907 7.309 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.998 -3.445 8.281 1.00 1.39 H new ATOM 83 N VAL A 6 -13.200 -5.040 4.878 1.00 0.32 N ATOM 84 CA VAL A 6 -12.076 -5.913 4.606 1.00 0.34 C ATOM 85 C VAL A 6 -11.890 -6.869 5.776 1.00 0.38 C ATOM 86 O VAL A 6 -12.153 -6.515 6.929 1.00 0.60 O ATOM 87 CB VAL A 6 -10.764 -5.132 4.334 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.980 -4.055 3.278 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.198 -4.528 5.607 1.00 1.32 C ATOM 0 H VAL A 6 -12.956 -4.062 5.035 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.300 -6.470 3.696 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.034 -5.846 3.953 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -10.045 -3.522 3.106 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -11.310 -4.518 2.348 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.739 -3.354 3.624 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.279 -3.989 5.377 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.925 -3.839 6.037 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.983 -5.322 6.322 1.00 1.32 H new ATOM 99 N ASN A 7 -11.475 -8.079 5.476 1.00 0.32 N ATOM 100 CA ASN A 7 -11.329 -9.105 6.497 1.00 0.36 C ATOM 101 C ASN A 7 -9.917 -9.645 6.485 1.00 0.37 C ATOM 102 O ASN A 7 -9.166 -9.492 7.447 1.00 0.46 O ATOM 103 CB ASN A 7 -12.321 -10.253 6.266 1.00 0.37 C ATOM 104 CG ASN A 7 -13.745 -9.907 6.659 1.00 0.45 C ATOM 105 OD1 ASN A 7 -14.162 -10.145 7.793 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.509 -9.359 5.726 1.00 0.53 N ATOM 0 H ASN A 7 -11.231 -8.382 4.533 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.540 -8.654 7.467 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.301 -10.535 5.213 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.996 -11.124 6.835 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.478 -9.119 5.936 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.128 -9.177 4.797 1.00 0.53 H new ATOM 113 N ASN A 8 -9.563 -10.267 5.377 1.00 0.33 N ATOM 114 CA ASN A 8 -8.252 -10.872 5.229 1.00 0.39 C ATOM 115 C ASN A 8 -7.363 -9.990 4.377 1.00 0.39 C ATOM 116 O ASN A 8 -7.763 -9.564 3.301 1.00 0.48 O ATOM 117 CB ASN A 8 -8.371 -12.273 4.617 1.00 0.44 C ATOM 118 CG ASN A 8 -7.045 -12.810 4.110 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.223 -13.311 4.880 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.850 -12.743 2.806 1.00 1.47 N ATOM 0 H ASN A 8 -10.168 -10.367 4.562 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.800 -10.970 6.216 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.773 -12.958 5.364 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -9.085 -12.245 3.794 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.992 -13.115 2.399 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.558 -12.320 2.206 1.00 1.47 H new ATOM 127 N VAL A 9 -6.179 -9.693 4.866 1.00 0.42 N ATOM 128 CA VAL A 9 -5.213 -8.951 4.087 1.00 0.45 C ATOM 129 C VAL A 9 -3.806 -9.458 4.385 1.00 0.50 C ATOM 130 O VAL A 9 -3.376 -9.510 5.537 1.00 0.60 O ATOM 131 CB VAL A 9 -5.330 -7.429 4.340 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.112 -7.085 5.807 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.364 -6.661 3.453 1.00 1.01 C ATOM 0 H VAL A 9 -5.862 -9.954 5.800 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.424 -9.113 3.030 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.346 -7.129 4.083 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.202 -6.008 5.945 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.861 -7.593 6.415 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.117 -7.408 6.113 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.463 -5.593 3.647 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.343 -6.976 3.669 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.592 -6.862 2.406 1.00 1.01 H new ATOM 143 N VAL A 10 -3.119 -9.903 3.348 1.00 0.52 N ATOM 144 CA VAL A 10 -1.775 -10.408 3.489 1.00 0.61 C ATOM 145 C VAL A 10 -0.888 -9.882 2.364 1.00 0.47 C ATOM 146 O VAL A 10 -1.333 -9.721 1.227 1.00 0.48 O ATOM 147 CB VAL A 10 -1.771 -11.952 3.512 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.489 -12.517 2.301 1.00 1.54 C ATOM 149 CG2 VAL A 10 -0.356 -12.482 3.589 1.00 1.24 C ATOM 0 H VAL A 10 -3.478 -9.923 2.394 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.372 -10.055 4.438 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.308 -12.276 4.403 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.471 -13.606 2.343 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -3.523 -12.171 2.297 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -1.990 -12.180 1.392 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -0.376 -13.572 3.604 1.00 1.24 H new ATOM 0 HG22 VAL A 10 0.208 -12.141 2.721 1.00 1.24 H new ATOM 0 HG23 VAL A 10 0.121 -12.115 4.498 1.00 1.24 H new ATOM 159 N VAL A 11 0.358 -9.591 2.692 1.00 0.44 N ATOM 160 CA VAL A 11 1.301 -9.077 1.718 1.00 0.39 C ATOM 161 C VAL A 11 2.115 -10.222 1.141 1.00 0.41 C ATOM 162 O VAL A 11 2.634 -11.054 1.884 1.00 0.52 O ATOM 163 CB VAL A 11 2.250 -8.044 2.348 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.098 -7.386 1.278 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.466 -7.007 3.137 1.00 0.91 C ATOM 0 H VAL A 11 0.741 -9.703 3.631 1.00 0.44 H new ATOM 0 HA VAL A 11 0.734 -8.585 0.927 1.00 0.39 H new ATOM 0 HB VAL A 11 2.915 -8.560 3.041 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.765 -6.657 1.739 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.689 -8.144 0.765 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.451 -6.882 0.560 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.156 -6.285 3.575 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.774 -6.490 2.472 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.906 -7.501 3.931 1.00 0.91 H new ATOM 175 N LEU A 12 2.228 -10.268 -0.175 1.00 0.40 N ATOM 176 CA LEU A 12 2.898 -11.379 -0.826 1.00 0.45 C ATOM 177 C LEU A 12 4.274 -10.973 -1.330 1.00 0.57 C ATOM 178 O LEU A 12 4.530 -9.798 -1.622 1.00 1.18 O ATOM 179 CB LEU A 12 2.062 -11.926 -1.986 1.00 0.50 C ATOM 180 CG LEU A 12 0.577 -12.115 -1.685 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.203 -10.880 -2.100 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.037 -13.350 -2.379 1.00 1.16 C ATOM 0 H LEU A 12 1.868 -9.555 -0.809 1.00 0.40 H new ATOM 0 HA LEU A 12 3.018 -12.165 -0.080 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.161 -11.249 -2.835 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.479 -12.885 -2.293 1.00 0.50 H new ATOM 0 HG LEU A 12 0.458 -12.257 -0.611 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.261 -11.027 -1.880 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.165 -10.015 -1.549 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.075 -10.711 -3.169 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -1.022 -13.463 -2.149 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.165 -13.247 -3.457 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.579 -14.229 -2.031 1.00 1.16 H new ATOM 194 N ASP A 13 5.151 -11.966 -1.396 1.00 0.84 N ATOM 195 CA ASP A 13 6.515 -11.815 -1.896 1.00 1.01 C ATOM 196 C ASP A 13 7.336 -10.995 -0.916 1.00 0.85 C ATOM 197 O ASP A 13 8.322 -10.366 -1.274 1.00 1.01 O ATOM 198 CB ASP A 13 6.531 -11.170 -3.287 1.00 1.29 C ATOM 199 CG ASP A 13 7.451 -11.902 -4.244 1.00 2.15 C ATOM 200 OD1 ASP A 13 8.630 -12.123 -3.891 1.00 2.57 O ATOM 201 OD2 ASP A 13 7.014 -12.229 -5.367 1.00 2.73 O ATOM 0 H ASP A 13 4.932 -12.917 -1.099 1.00 0.84 H new ATOM 0 HA ASP A 13 6.958 -12.807 -1.989 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.520 -11.160 -3.693 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.850 -10.131 -3.201 1.00 1.29 H new ATOM 206 N ASN A 14 6.892 -10.991 0.326 1.00 0.68 N ATOM 207 CA ASN A 14 7.586 -10.294 1.396 1.00 0.63 C ATOM 208 C ASN A 14 8.499 -11.242 2.180 1.00 0.57 C ATOM 209 O ASN A 14 8.060 -12.312 2.603 1.00 0.67 O ATOM 210 CB ASN A 14 6.550 -9.698 2.343 1.00 0.78 C ATOM 211 CG ASN A 14 7.177 -8.946 3.488 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.183 -8.261 3.316 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.600 -9.091 4.666 1.00 1.40 N ATOM 0 H ASN A 14 6.042 -11.469 0.623 1.00 0.68 H new ATOM 0 HA ASN A 14 8.206 -9.512 0.958 1.00 0.63 H new ATOM 0 HB2 ASN A 14 5.898 -9.026 1.786 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.922 -10.497 2.738 1.00 0.78 H new ATOM 0 HD21 ASN A 14 6.988 -8.623 5.485 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.766 -9.671 4.757 1.00 1.40 H new ATOM 220 N PRO A 15 9.784 -10.880 2.380 1.00 0.51 N ATOM 221 CA PRO A 15 10.432 -9.724 1.756 1.00 0.45 C ATOM 222 C PRO A 15 11.112 -10.085 0.441 1.00 0.44 C ATOM 223 O PRO A 15 11.607 -11.201 0.279 1.00 0.48 O ATOM 224 CB PRO A 15 11.506 -9.319 2.780 1.00 0.48 C ATOM 225 CG PRO A 15 11.449 -10.350 3.872 1.00 0.57 C ATOM 226 CD PRO A 15 10.707 -11.530 3.306 1.00 0.60 C ATOM 0 HA PRO A 15 9.711 -8.941 1.521 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.494 -9.293 2.320 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.312 -8.322 3.175 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.452 -10.637 4.187 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.939 -9.956 4.751 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.373 -12.228 2.798 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.183 -12.094 4.078 1.00 0.60 H new ATOM 234 N SER A 16 11.154 -9.136 -0.478 1.00 0.42 N ATOM 235 CA SER A 16 11.810 -9.340 -1.767 1.00 0.47 C ATOM 236 C SER A 16 12.291 -8.003 -2.315 1.00 0.45 C ATOM 237 O SER A 16 11.893 -6.957 -1.803 1.00 0.43 O ATOM 238 CB SER A 16 10.868 -10.014 -2.771 1.00 0.59 C ATOM 239 OG SER A 16 10.675 -11.384 -2.467 1.00 0.77 O ATOM 0 H SER A 16 10.741 -8.211 -0.359 1.00 0.42 H new ATOM 0 HA SER A 16 12.664 -10.000 -1.616 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.906 -9.501 -2.769 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.278 -9.918 -3.776 1.00 0.59 H new ATOM 0 HG SER A 16 9.855 -11.703 -2.899 1.00 0.77 H new ATOM 245 N PRO A 17 13.167 -8.023 -3.338 1.00 0.52 N ATOM 246 CA PRO A 17 13.697 -6.809 -3.970 1.00 0.52 C ATOM 247 C PRO A 17 12.638 -5.736 -4.230 1.00 0.48 C ATOM 248 O PRO A 17 11.477 -6.035 -4.514 1.00 0.58 O ATOM 249 CB PRO A 17 14.261 -7.329 -5.288 1.00 0.60 C ATOM 250 CG PRO A 17 14.714 -8.708 -4.970 1.00 0.83 C ATOM 251 CD PRO A 17 13.742 -9.240 -3.950 1.00 0.63 C ATOM 0 HA PRO A 17 14.424 -6.312 -3.328 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.505 -7.329 -6.073 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.086 -6.710 -5.640 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.722 -9.332 -5.864 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.730 -8.704 -4.575 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.972 -9.855 -4.415 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.242 -9.862 -3.208 1.00 0.63 H new ATOM 259 N PHE A 18 13.071 -4.491 -4.107 1.00 0.41 N ATOM 260 CA PHE A 18 12.239 -3.317 -4.349 1.00 0.37 C ATOM 261 C PHE A 18 11.595 -3.341 -5.738 1.00 0.36 C ATOM 262 O PHE A 18 10.453 -2.919 -5.900 1.00 0.37 O ATOM 263 CB PHE A 18 13.099 -2.055 -4.167 1.00 0.38 C ATOM 264 CG PHE A 18 12.582 -0.838 -4.878 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.506 -0.123 -4.383 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.183 -0.411 -6.051 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.036 0.992 -5.047 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.721 0.702 -6.717 1.00 0.36 C ATOM 269 CZ PHE A 18 11.644 1.406 -6.217 1.00 0.37 C ATOM 0 H PHE A 18 14.026 -4.261 -3.832 1.00 0.41 H new ATOM 0 HA PHE A 18 11.420 -3.317 -3.629 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.174 -1.833 -3.102 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.108 -2.265 -4.521 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.029 -0.441 -3.468 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.025 -0.958 -6.448 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.194 1.541 -4.652 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.201 1.024 -7.630 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.278 2.278 -6.739 1.00 0.37 H new ATOM 279 N TYR A 19 12.319 -3.846 -6.732 1.00 0.38 N ATOM 280 CA TYR A 19 11.806 -3.878 -8.101 1.00 0.41 C ATOM 281 C TYR A 19 10.802 -5.009 -8.299 1.00 0.44 C ATOM 282 O TYR A 19 10.326 -5.249 -9.412 1.00 0.52 O ATOM 283 CB TYR A 19 12.949 -3.990 -9.106 1.00 0.45 C ATOM 284 CG TYR A 19 13.719 -2.700 -9.275 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.234 -1.675 -10.074 1.00 0.52 C ATOM 286 CD2 TYR A 19 14.939 -2.510 -8.635 1.00 0.58 C ATOM 287 CE1 TYR A 19 13.941 -0.498 -10.231 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.652 -1.336 -8.787 1.00 0.64 C ATOM 289 CZ TYR A 19 15.124 -0.320 -9.588 1.00 0.57 C ATOM 290 OH TYR A 19 15.852 0.838 -9.739 1.00 0.65 O ATOM 0 H TYR A 19 13.255 -4.236 -6.619 1.00 0.38 H new ATOM 0 HA TYR A 19 11.283 -2.938 -8.276 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.633 -4.775 -8.783 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.547 -4.295 -10.072 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.289 -1.799 -10.582 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.336 -3.294 -8.008 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.551 0.283 -10.867 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.604 -1.206 -8.294 1.00 0.64 H new ATOM 0 HH TYR A 19 16.669 0.783 -9.201 1.00 0.65 H new ATOM 300 N ASN A 20 10.483 -5.699 -7.219 1.00 0.44 N ATOM 301 CA ASN A 20 9.426 -6.694 -7.237 1.00 0.48 C ATOM 302 C ASN A 20 8.131 -6.048 -6.750 1.00 0.42 C ATOM 303 O ASN A 20 8.117 -5.358 -5.723 1.00 0.52 O ATOM 304 CB ASN A 20 9.818 -7.918 -6.391 1.00 0.61 C ATOM 305 CG ASN A 20 8.765 -8.317 -5.375 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.843 -9.071 -5.672 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.911 -7.818 -4.160 1.00 0.69 N ATOM 0 H ASN A 20 10.943 -5.588 -6.315 1.00 0.44 H new ATOM 0 HA ASN A 20 9.271 -7.055 -8.254 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.009 -8.762 -7.054 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.751 -7.705 -5.870 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.243 -8.056 -3.427 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.692 -7.195 -3.955 1.00 0.69 H new ATOM 314 N PRO A 21 7.035 -6.247 -7.499 1.00 0.41 N ATOM 315 CA PRO A 21 5.757 -5.564 -7.262 1.00 0.38 C ATOM 316 C PRO A 21 5.238 -5.717 -5.835 1.00 0.35 C ATOM 317 O PRO A 21 5.418 -6.756 -5.193 1.00 0.42 O ATOM 318 CB PRO A 21 4.797 -6.243 -8.243 1.00 0.44 C ATOM 319 CG PRO A 21 5.671 -6.792 -9.314 1.00 0.62 C ATOM 320 CD PRO A 21 6.956 -7.176 -8.640 1.00 0.57 C ATOM 0 HA PRO A 21 5.860 -4.488 -7.404 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.226 -7.033 -7.755 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.076 -5.532 -8.647 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.208 -7.655 -9.792 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.845 -6.051 -10.094 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.942 -8.215 -8.312 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.809 -7.064 -9.309 1.00 0.57 H new ATOM 328 N PHE A 22 4.599 -4.669 -5.342 1.00 0.33 N ATOM 329 CA PHE A 22 3.945 -4.716 -4.048 1.00 0.34 C ATOM 330 C PHE A 22 2.644 -5.497 -4.170 1.00 0.33 C ATOM 331 O PHE A 22 1.646 -4.986 -4.680 1.00 0.41 O ATOM 332 CB PHE A 22 3.677 -3.304 -3.513 1.00 0.37 C ATOM 333 CG PHE A 22 4.926 -2.561 -3.125 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.527 -2.790 -1.898 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.501 -1.640 -3.986 1.00 0.49 C ATOM 336 CE1 PHE A 22 6.678 -2.118 -1.538 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.651 -0.962 -3.629 1.00 0.57 C ATOM 338 CZ PHE A 22 7.241 -1.202 -2.404 1.00 0.58 C ATOM 0 H PHE A 22 4.520 -3.772 -5.822 1.00 0.33 H new ATOM 0 HA PHE A 22 4.604 -5.217 -3.338 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.145 -2.731 -4.273 1.00 0.37 H new ATOM 0 HB3 PHE A 22 3.020 -3.371 -2.646 1.00 0.37 H new ATOM 0 HD1 PHE A 22 5.090 -3.503 -1.215 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.045 -1.450 -4.947 1.00 0.49 H new ATOM 0 HE1 PHE A 22 7.138 -2.309 -0.580 1.00 0.53 H new ATOM 0 HE2 PHE A 22 7.088 -0.245 -4.308 1.00 0.57 H new ATOM 0 HZ PHE A 22 8.141 -0.674 -2.124 1.00 0.58 H new ATOM 348 N GLN A 23 2.678 -6.749 -3.736 1.00 0.31 N ATOM 349 CA GLN A 23 1.526 -7.630 -3.845 1.00 0.34 C ATOM 350 C GLN A 23 0.695 -7.575 -2.576 1.00 0.33 C ATOM 351 O GLN A 23 1.201 -7.842 -1.484 1.00 0.38 O ATOM 352 CB GLN A 23 1.965 -9.074 -4.083 1.00 0.45 C ATOM 353 CG GLN A 23 3.029 -9.236 -5.145 1.00 0.97 C ATOM 354 CD GLN A 23 3.040 -10.629 -5.740 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.353 -10.902 -6.723 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.819 -11.520 -5.151 1.00 1.13 N ATOM 0 H GLN A 23 3.496 -7.178 -3.303 1.00 0.31 H new ATOM 0 HA GLN A 23 0.930 -7.290 -4.692 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.338 -9.487 -3.146 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.093 -9.664 -4.366 1.00 0.45 H new ATOM 0 HG2 GLN A 23 2.862 -8.506 -5.937 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.006 -9.020 -4.713 1.00 0.97 H new ATOM 0 HE21 GLN A 23 4.374 -11.254 -4.337 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.865 -12.474 -5.510 1.00 1.13 H new ATOM 365 N PHE A 24 -0.575 -7.242 -2.721 1.00 0.31 N ATOM 366 CA PHE A 24 -1.485 -7.196 -1.589 1.00 0.33 C ATOM 367 C PHE A 24 -2.703 -8.064 -1.835 1.00 0.36 C ATOM 368 O PHE A 24 -3.513 -7.782 -2.714 1.00 0.50 O ATOM 369 CB PHE A 24 -1.916 -5.761 -1.306 1.00 0.31 C ATOM 370 CG PHE A 24 -0.801 -4.911 -0.784 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.418 -4.981 0.543 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.144 -4.037 -1.625 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.605 -4.189 1.023 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.880 -3.242 -1.152 1.00 0.32 C ATOM 375 CZ PHE A 24 1.275 -3.354 0.192 1.00 0.30 C ATOM 0 H PHE A 24 -1.002 -6.998 -3.615 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.955 -7.584 -0.719 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.307 -5.317 -2.222 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.731 -5.768 -0.582 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.925 -5.662 1.210 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.434 -3.974 -2.664 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.874 -4.235 2.068 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.373 -2.540 -1.808 1.00 0.32 H new ATOM 0 HZ PHE A 24 2.110 -2.777 0.561 1.00 0.30 H new ATOM 385 N GLU A 25 -2.826 -9.120 -1.054 1.00 0.31 N ATOM 386 CA GLU A 25 -3.965 -10.007 -1.158 1.00 0.34 C ATOM 387 C GLU A 25 -5.050 -9.484 -0.240 1.00 0.32 C ATOM 388 O GLU A 25 -5.017 -9.687 0.978 1.00 0.35 O ATOM 389 CB GLU A 25 -3.565 -11.446 -0.815 1.00 0.43 C ATOM 390 CG GLU A 25 -4.599 -12.496 -1.204 1.00 0.97 C ATOM 391 CD GLU A 25 -5.645 -12.722 -0.132 1.00 1.43 C ATOM 392 OE1 GLU A 25 -6.674 -12.015 -0.136 1.00 1.98 O ATOM 393 OE2 GLU A 25 -5.432 -13.618 0.716 1.00 1.72 O ATOM 0 H GLU A 25 -2.148 -9.384 -0.339 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.341 -10.029 -2.181 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.624 -11.678 -1.314 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.382 -11.514 0.257 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.092 -12.188 -2.126 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.092 -13.438 -1.413 1.00 0.97 H new ATOM 400 N ILE A 26 -5.965 -8.747 -0.831 1.00 0.30 N ATOM 401 CA ILE A 26 -7.000 -8.070 -0.090 1.00 0.30 C ATOM 402 C ILE A 26 -8.338 -8.775 -0.255 1.00 0.29 C ATOM 403 O ILE A 26 -8.969 -8.702 -1.312 1.00 0.32 O ATOM 404 CB ILE A 26 -7.138 -6.614 -0.568 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.784 -5.905 -0.518 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.164 -5.865 0.277 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.749 -4.622 -1.319 1.00 0.29 C ATOM 0 H ILE A 26 -6.010 -8.602 -1.840 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.717 -8.085 0.962 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.486 -6.624 -1.601 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.536 -5.684 0.520 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.014 -6.580 -0.893 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.247 -4.837 -0.077 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.133 -6.357 0.193 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.846 -5.865 1.320 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.760 -4.171 -1.240 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -5.966 -4.840 -2.365 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.496 -3.930 -0.930 1.00 0.29 H new ATOM 419 N THR A 27 -8.758 -9.472 0.780 1.00 0.31 N ATOM 420 CA THR A 27 -10.084 -10.042 0.813 1.00 0.30 C ATOM 421 C THR A 27 -11.024 -9.091 1.549 1.00 0.27 C ATOM 422 O THR A 27 -10.980 -8.985 2.784 1.00 0.29 O ATOM 423 CB THR A 27 -10.096 -11.407 1.525 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.073 -12.259 1.001 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.446 -12.088 1.366 1.00 0.34 C ATOM 0 H THR A 27 -8.196 -9.657 1.611 1.00 0.31 H new ATOM 0 HA THR A 27 -10.413 -10.189 -0.216 1.00 0.30 H new ATOM 0 HB THR A 27 -9.909 -11.229 2.584 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.384 -11.714 0.567 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.430 -13.051 1.877 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.224 -11.459 1.799 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.653 -12.243 0.307 1.00 0.34 H new ATOM 433 N PHE A 28 -11.872 -8.404 0.797 1.00 0.23 N ATOM 434 CA PHE A 28 -12.813 -7.473 1.378 1.00 0.22 C ATOM 435 C PHE A 28 -14.226 -7.933 1.086 1.00 0.21 C ATOM 436 O PHE A 28 -14.534 -8.382 -0.017 1.00 0.20 O ATOM 437 CB PHE A 28 -12.581 -6.050 0.854 1.00 0.21 C ATOM 438 CG PHE A 28 -12.938 -5.831 -0.592 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.081 -6.229 -1.606 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.123 -5.202 -0.932 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.405 -6.005 -2.930 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.448 -4.971 -2.253 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.589 -5.372 -3.254 1.00 0.28 C ATOM 0 H PHE A 28 -11.923 -8.478 -0.219 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.662 -7.450 2.457 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.161 -5.357 1.463 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.530 -5.796 0.994 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.151 -6.719 -1.359 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.802 -4.888 -0.153 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.732 -6.325 -3.712 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.375 -4.476 -2.503 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.841 -5.192 -4.289 1.00 0.28 H new ATOM 453 N GLU A 29 -15.075 -7.842 2.080 1.00 0.22 N ATOM 454 CA GLU A 29 -16.428 -8.324 1.948 1.00 0.23 C ATOM 455 C GLU A 29 -17.388 -7.167 1.776 1.00 0.25 C ATOM 456 O GLU A 29 -17.521 -6.320 2.660 1.00 0.29 O ATOM 457 CB GLU A 29 -16.806 -9.148 3.172 1.00 0.26 C ATOM 458 CG GLU A 29 -18.187 -9.769 3.101 1.00 0.33 C ATOM 459 CD GLU A 29 -18.590 -10.413 4.408 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.712 -10.972 5.095 1.00 0.67 O ATOM 461 OE2 GLU A 29 -19.788 -10.354 4.758 1.00 0.77 O ATOM 0 H GLU A 29 -14.853 -7.438 2.990 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.491 -8.956 1.062 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -16.070 -9.941 3.304 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.751 -8.512 4.055 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.915 -9.003 2.836 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.207 -10.516 2.308 1.00 0.33 H new ATOM 468 N CYS A 30 -18.033 -7.116 0.630 1.00 0.24 N ATOM 469 CA CYS A 30 -19.077 -6.146 0.407 1.00 0.28 C ATOM 470 C CYS A 30 -20.321 -6.588 1.157 1.00 0.33 C ATOM 471 O CYS A 30 -20.980 -7.556 0.775 1.00 0.35 O ATOM 472 CB CYS A 30 -19.374 -6.002 -1.086 1.00 0.29 C ATOM 473 SG CYS A 30 -17.938 -5.553 -2.088 1.00 0.51 S ATOM 0 H CYS A 30 -17.851 -7.736 -0.160 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.752 -5.172 0.774 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.781 -6.943 -1.456 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.147 -5.245 -1.220 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.237 -5.664 -3.348 1.00 0.51 H new ATOM 479 N ILE A 31 -20.598 -5.907 2.253 1.00 0.39 N ATOM 480 CA ILE A 31 -21.763 -6.201 3.067 1.00 0.45 C ATOM 481 C ILE A 31 -23.008 -5.799 2.299 1.00 0.48 C ATOM 482 O ILE A 31 -24.069 -6.405 2.429 1.00 0.53 O ATOM 483 CB ILE A 31 -21.710 -5.429 4.403 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.355 -5.647 5.083 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.848 -5.859 5.317 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.201 -4.908 6.395 1.00 0.52 C ATOM 0 H ILE A 31 -20.026 -5.139 2.603 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.781 -7.268 3.290 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.828 -4.365 4.197 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.216 -6.714 5.260 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.564 -5.330 4.404 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.793 -5.303 6.253 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.802 -5.656 4.830 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.766 -6.926 5.523 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.216 -5.113 6.814 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.307 -3.837 6.224 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.969 -5.242 7.093 1.00 0.52 H new ATOM 498 N GLU A 32 -22.831 -4.783 1.472 1.00 0.49 N ATOM 499 CA GLU A 32 -23.903 -4.225 0.674 1.00 0.53 C ATOM 500 C GLU A 32 -23.433 -4.083 -0.765 1.00 0.52 C ATOM 501 O GLU A 32 -22.250 -4.268 -1.055 1.00 0.51 O ATOM 502 CB GLU A 32 -24.281 -2.852 1.222 1.00 0.60 C ATOM 503 CG GLU A 32 -24.749 -2.868 2.666 1.00 0.84 C ATOM 504 CD GLU A 32 -26.212 -3.217 2.799 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.546 -4.412 2.872 1.00 1.83 O ATOM 506 OE2 GLU A 32 -27.036 -2.282 2.826 1.00 1.53 O ATOM 0 H GLU A 32 -21.932 -4.321 1.336 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.771 -4.883 0.713 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.420 -2.189 1.138 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.070 -2.429 0.600 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -24.155 -3.588 3.228 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.571 -1.890 3.113 1.00 0.84 H new ATOM 513 N ASP A 33 -24.350 -3.762 -1.659 1.00 0.62 N ATOM 514 CA ASP A 33 -23.984 -3.459 -3.033 1.00 0.65 C ATOM 515 C ASP A 33 -23.667 -1.978 -3.150 1.00 0.65 C ATOM 516 O ASP A 33 -24.475 -1.131 -2.760 1.00 0.79 O ATOM 517 CB ASP A 33 -25.110 -3.831 -4.003 1.00 0.76 C ATOM 518 CG ASP A 33 -25.409 -5.316 -4.021 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.736 -6.055 -4.770 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.330 -5.752 -3.297 1.00 2.18 O ATOM 0 H ASP A 33 -25.349 -3.704 -1.461 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.107 -4.049 -3.298 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.014 -3.287 -3.728 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -24.838 -3.509 -5.008 1.00 0.76 H new ATOM 525 N LEU A 34 -22.491 -1.663 -3.668 1.00 0.57 N ATOM 526 CA LEU A 34 -22.059 -0.279 -3.766 1.00 0.57 C ATOM 527 C LEU A 34 -22.464 0.291 -5.117 1.00 0.64 C ATOM 528 O LEU A 34 -22.323 -0.368 -6.147 1.00 0.71 O ATOM 529 CB LEU A 34 -20.543 -0.146 -3.557 1.00 0.55 C ATOM 530 CG LEU A 34 -20.035 -0.433 -2.134 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.087 -1.919 -1.819 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.620 0.096 -1.952 1.00 1.41 C ATOM 0 H LEU A 34 -21.821 -2.344 -4.026 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.548 0.289 -2.975 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.040 -0.824 -4.246 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.245 0.866 -3.832 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.694 0.084 -1.436 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.722 -2.089 -0.806 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.115 -2.272 -1.898 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.461 -2.463 -2.527 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.279 -0.117 -0.939 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -17.956 -0.388 -2.668 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.610 1.173 -2.119 1.00 1.41 H new ATOM 544 N SER A 35 -22.972 1.513 -5.104 1.00 0.75 N ATOM 545 CA SER A 35 -23.499 2.135 -6.309 1.00 0.89 C ATOM 546 C SER A 35 -22.397 2.842 -7.093 1.00 0.75 C ATOM 547 O SER A 35 -22.558 3.157 -8.273 1.00 0.92 O ATOM 548 CB SER A 35 -24.598 3.123 -5.932 1.00 1.14 C ATOM 549 OG SER A 35 -25.563 2.506 -5.094 1.00 1.55 O ATOM 0 H SER A 35 -23.031 2.096 -4.269 1.00 0.75 H new ATOM 0 HA SER A 35 -23.913 1.356 -6.949 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.162 3.982 -5.422 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.080 3.499 -6.834 1.00 1.14 H new ATOM 0 HG SER A 35 -26.258 3.156 -4.862 1.00 1.55 H new ATOM 555 N GLU A 36 -21.277 3.085 -6.435 1.00 0.61 N ATOM 556 CA GLU A 36 -20.155 3.752 -7.071 1.00 0.51 C ATOM 557 C GLU A 36 -19.016 2.760 -7.285 1.00 0.44 C ATOM 558 O GLU A 36 -19.009 1.671 -6.702 1.00 0.53 O ATOM 559 CB GLU A 36 -19.687 4.928 -6.207 1.00 0.63 C ATOM 560 CG GLU A 36 -18.658 5.826 -6.873 1.00 1.48 C ATOM 561 CD GLU A 36 -18.078 6.847 -5.920 1.00 2.16 C ATOM 562 OE1 GLU A 36 -17.123 6.510 -5.190 1.00 2.95 O ATOM 563 OE2 GLU A 36 -18.568 7.995 -5.900 1.00 2.46 O ATOM 0 H GLU A 36 -21.120 2.830 -5.460 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.469 4.137 -8.041 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.554 5.530 -5.934 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.265 4.537 -5.281 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -17.853 5.213 -7.278 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.120 6.341 -7.715 1.00 1.48 H new ATOM 570 N ASP A 37 -18.066 3.137 -8.122 1.00 0.37 N ATOM 571 CA ASP A 37 -16.901 2.311 -8.382 1.00 0.36 C ATOM 572 C ASP A 37 -15.904 2.472 -7.245 1.00 0.35 C ATOM 573 O ASP A 37 -15.545 3.588 -6.873 1.00 0.50 O ATOM 574 CB ASP A 37 -16.262 2.663 -9.736 1.00 0.49 C ATOM 575 CG ASP A 37 -15.939 4.139 -9.891 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.884 4.958 -9.979 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.741 4.488 -9.959 1.00 1.88 O ATOM 0 H ASP A 37 -18.080 4.017 -8.637 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.211 1.267 -8.436 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.346 2.085 -9.857 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.938 2.362 -10.536 1.00 0.49 H new ATOM 582 N LEU A 38 -15.474 1.357 -6.686 1.00 0.30 N ATOM 583 CA LEU A 38 -14.658 1.379 -5.482 1.00 0.31 C ATOM 584 C LEU A 38 -13.197 1.635 -5.828 1.00 0.28 C ATOM 585 O LEU A 38 -12.577 0.863 -6.563 1.00 0.29 O ATOM 586 CB LEU A 38 -14.814 0.058 -4.728 1.00 0.39 C ATOM 587 CG LEU A 38 -14.306 0.057 -3.290 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.902 1.223 -2.516 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.657 -1.257 -2.609 1.00 1.32 C ATOM 0 H LEU A 38 -15.675 0.423 -7.045 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.997 2.192 -4.840 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.870 -0.214 -4.722 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.288 -0.720 -5.281 1.00 0.39 H new ATOM 0 HG LEU A 38 -13.222 0.167 -3.305 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.530 1.208 -1.492 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.616 2.160 -2.993 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -15.989 1.137 -2.508 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.289 -1.245 -1.583 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.739 -1.387 -2.605 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.195 -2.082 -3.151 1.00 1.32 H new ATOM 601 N GLU A 39 -12.661 2.725 -5.296 1.00 0.30 N ATOM 602 CA GLU A 39 -11.297 3.135 -5.585 1.00 0.32 C ATOM 603 C GLU A 39 -10.322 2.540 -4.578 1.00 0.31 C ATOM 604 O GLU A 39 -10.353 2.878 -3.401 1.00 0.43 O ATOM 605 CB GLU A 39 -11.189 4.666 -5.565 1.00 0.42 C ATOM 606 CG GLU A 39 -9.787 5.188 -5.856 1.00 0.50 C ATOM 607 CD GLU A 39 -9.704 6.704 -5.858 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.151 7.330 -6.844 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.206 7.278 -4.867 1.00 0.73 O ATOM 0 H GLU A 39 -13.157 3.345 -4.656 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.038 2.766 -6.577 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.880 5.079 -6.300 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.507 5.031 -4.588 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.097 4.793 -5.110 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.459 4.811 -6.825 1.00 0.50 H new ATOM 616 N TRP A 40 -9.477 1.638 -5.039 1.00 0.24 N ATOM 617 CA TRP A 40 -8.372 1.153 -4.230 1.00 0.23 C ATOM 618 C TRP A 40 -7.088 1.764 -4.760 1.00 0.24 C ATOM 619 O TRP A 40 -6.648 1.438 -5.862 1.00 0.28 O ATOM 620 CB TRP A 40 -8.275 -0.375 -4.270 1.00 0.24 C ATOM 621 CG TRP A 40 -9.497 -1.081 -3.768 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.611 -1.400 -4.490 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.724 -1.568 -2.439 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.518 -2.047 -3.694 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.001 -2.160 -2.430 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.977 -1.556 -1.255 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.542 -2.736 -1.287 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.520 -2.128 -0.119 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.793 -2.711 -0.143 1.00 0.40 C ATOM 0 H TRP A 40 -9.533 1.225 -5.970 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.538 1.444 -3.193 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.083 -0.689 -5.296 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.417 -0.689 -3.675 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.756 -1.175 -5.536 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.431 -2.389 -3.993 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.995 -1.108 -1.229 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.522 -3.189 -1.302 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.954 -2.125 0.801 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.191 -3.150 0.760 1.00 0.40 H new ATOM 640 N LYS A 41 -6.504 2.666 -3.998 1.00 0.25 N ATOM 641 CA LYS A 41 -5.326 3.381 -4.452 1.00 0.25 C ATOM 642 C LYS A 41 -4.145 3.074 -3.544 1.00 0.23 C ATOM 643 O LYS A 41 -4.273 3.125 -2.321 1.00 0.27 O ATOM 644 CB LYS A 41 -5.607 4.885 -4.459 1.00 0.37 C ATOM 645 CG LYS A 41 -4.586 5.700 -5.235 1.00 0.63 C ATOM 646 CD LYS A 41 -4.661 7.172 -4.867 1.00 0.65 C ATOM 647 CE LYS A 41 -5.963 7.779 -5.364 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.242 9.111 -4.769 1.00 1.23 N ATOM 0 H LYS A 41 -6.824 2.922 -3.064 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.081 3.059 -5.464 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.595 5.058 -4.886 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.637 5.244 -3.430 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.584 5.322 -5.030 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.759 5.581 -6.305 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.589 7.287 -3.785 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -3.815 7.705 -5.301 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.924 7.872 -6.449 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.786 7.103 -5.131 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.141 9.477 -5.143 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.308 9.022 -3.735 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.473 9.768 -5.012 1.00 1.23 H new ATOM 662 N ILE A 42 -3.000 2.760 -4.133 1.00 0.22 N ATOM 663 CA ILE A 42 -1.805 2.497 -3.347 1.00 0.24 C ATOM 664 C ILE A 42 -0.857 3.679 -3.424 1.00 0.25 C ATOM 665 O ILE A 42 -0.312 3.991 -4.488 1.00 0.31 O ATOM 666 CB ILE A 42 -1.056 1.222 -3.796 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.952 -0.012 -3.647 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.232 1.056 -2.994 1.00 0.37 C ATOM 669 CD1 ILE A 42 -1.190 -1.318 -3.588 1.00 0.46 C ATOM 0 H ILE A 42 -2.874 2.682 -5.142 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.140 2.340 -2.322 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.796 1.325 -4.849 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.548 0.091 -2.740 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.649 -0.046 -4.484 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.750 0.154 -3.320 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.875 1.922 -3.154 1.00 0.37 H new ATOM 0 HG23 ILE A 42 -0.008 0.974 -1.934 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.893 -2.145 -3.482 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.615 -1.446 -4.505 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.513 -1.306 -2.734 1.00 0.46 H new ATOM 681 N ILE A 43 -0.682 4.338 -2.293 1.00 0.24 N ATOM 682 CA ILE A 43 0.226 5.459 -2.190 1.00 0.27 C ATOM 683 C ILE A 43 1.477 5.035 -1.445 1.00 0.26 C ATOM 684 O ILE A 43 1.431 4.730 -0.250 1.00 0.30 O ATOM 685 CB ILE A 43 -0.406 6.666 -1.467 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.644 7.154 -2.212 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.601 7.797 -1.333 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.918 6.446 -1.809 1.00 0.69 C ATOM 0 H ILE A 43 -1.165 4.110 -1.424 1.00 0.24 H new ATOM 0 HA ILE A 43 0.469 5.770 -3.206 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.705 6.343 -0.470 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.763 8.223 -2.038 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -1.488 7.021 -3.283 1.00 0.37 H new ATOM 0 HG21 ILE A 43 0.136 8.639 -0.820 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.461 7.452 -0.759 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.929 8.111 -2.324 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.754 6.847 -2.382 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.820 5.379 -2.009 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -3.099 6.601 -0.745 1.00 0.69 H new ATOM 700 N TYR A 44 2.584 4.985 -2.153 1.00 0.29 N ATOM 701 CA TYR A 44 3.853 4.679 -1.531 1.00 0.29 C ATOM 702 C TYR A 44 4.494 5.981 -1.081 1.00 0.28 C ATOM 703 O TYR A 44 4.588 6.926 -1.866 1.00 0.33 O ATOM 704 CB TYR A 44 4.760 3.924 -2.510 1.00 0.32 C ATOM 705 CG TYR A 44 6.048 3.417 -1.893 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.053 2.280 -1.095 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.258 4.068 -2.113 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.222 1.806 -0.531 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.435 3.597 -1.556 1.00 0.45 C ATOM 710 CZ TYR A 44 8.410 2.465 -0.766 1.00 0.49 C ATOM 711 OH TYR A 44 9.575 1.984 -0.210 1.00 0.59 O ATOM 0 H TYR A 44 2.631 5.152 -3.158 1.00 0.29 H new ATOM 0 HA TYR A 44 3.701 4.034 -0.666 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.209 3.078 -2.921 1.00 0.32 H new ATOM 0 HB3 TYR A 44 5.003 4.582 -3.344 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.126 1.757 -0.912 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.279 4.955 -2.728 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.205 0.923 0.091 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.367 4.112 -1.738 1.00 0.45 H new ATOM 0 HH TYR A 44 10.263 1.912 -0.904 1.00 0.59 H new ATOM 721 N VAL A 45 4.878 6.049 0.188 1.00 0.27 N ATOM 722 CA VAL A 45 5.515 7.243 0.725 1.00 0.28 C ATOM 723 C VAL A 45 6.748 7.591 -0.093 1.00 0.30 C ATOM 724 O VAL A 45 7.681 6.802 -0.183 1.00 0.36 O ATOM 725 CB VAL A 45 5.909 7.069 2.212 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.740 8.244 2.703 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.672 6.914 3.075 1.00 0.34 C ATOM 0 H VAL A 45 4.759 5.293 0.862 1.00 0.27 H new ATOM 0 HA VAL A 45 4.790 8.055 0.663 1.00 0.28 H new ATOM 0 HB VAL A 45 6.514 6.165 2.291 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.001 8.093 3.750 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.651 8.319 2.109 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.164 9.164 2.602 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.968 6.793 4.117 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.046 7.801 2.976 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.111 6.037 2.753 1.00 0.34 H new ATOM 737 N GLY A 46 6.724 8.764 -0.707 1.00 0.32 N ATOM 738 CA GLY A 46 7.835 9.185 -1.527 1.00 0.39 C ATOM 739 C GLY A 46 9.076 9.401 -0.709 1.00 0.41 C ATOM 740 O GLY A 46 10.132 8.873 -1.024 1.00 0.47 O ATOM 0 H GLY A 46 5.954 9.430 -0.651 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.029 8.433 -2.292 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.576 10.108 -2.046 1.00 0.39 H new ATOM 744 N SER A 47 8.957 10.192 0.347 1.00 0.43 N ATOM 745 CA SER A 47 10.057 10.385 1.252 1.00 0.48 C ATOM 746 C SER A 47 9.565 10.341 2.685 1.00 0.51 C ATOM 747 O SER A 47 8.575 10.977 3.010 1.00 0.49 O ATOM 748 CB SER A 47 10.705 11.735 0.964 1.00 0.53 C ATOM 749 OG SER A 47 9.769 12.787 1.103 1.00 1.23 O ATOM 0 H SER A 47 8.109 10.705 0.589 1.00 0.43 H new ATOM 0 HA SER A 47 10.789 9.590 1.112 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.540 11.894 1.646 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.113 11.738 -0.047 1.00 0.53 H new ATOM 0 HG SER A 47 9.546 13.146 0.219 1.00 1.23 H new ATOM 755 N ALA A 48 10.233 9.587 3.539 1.00 0.62 N ATOM 756 CA ALA A 48 9.978 9.668 4.974 1.00 0.70 C ATOM 757 C ALA A 48 10.335 11.061 5.474 1.00 0.75 C ATOM 758 O ALA A 48 9.912 11.489 6.549 1.00 0.82 O ATOM 759 CB ALA A 48 10.777 8.613 5.723 1.00 0.81 C ATOM 0 H ALA A 48 10.952 8.915 3.271 1.00 0.62 H new ATOM 0 HA ALA A 48 8.920 9.480 5.157 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.572 8.691 6.791 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.491 7.622 5.370 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.841 8.769 5.546 1.00 0.81 H new ATOM 765 N GLU A 49 11.108 11.766 4.654 1.00 0.75 N ATOM 766 CA GLU A 49 11.557 13.107 4.959 1.00 0.83 C ATOM 767 C GLU A 49 10.433 14.123 4.770 1.00 0.82 C ATOM 768 O GLU A 49 10.167 14.931 5.658 1.00 0.93 O ATOM 769 CB GLU A 49 12.739 13.452 4.053 1.00 0.90 C ATOM 770 CG GLU A 49 13.266 14.863 4.231 1.00 1.06 C ATOM 771 CD GLU A 49 14.439 15.150 3.324 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.590 14.878 3.725 1.00 1.99 O ATOM 773 OE2 GLU A 49 14.218 15.655 2.209 1.00 1.96 O ATOM 0 H GLU A 49 11.439 11.415 3.755 1.00 0.75 H new ATOM 0 HA GLU A 49 11.865 13.147 6.004 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.548 12.747 4.245 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.438 13.317 3.014 1.00 0.90 H new ATOM 0 HG2 GLU A 49 12.467 15.576 4.027 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.566 15.009 5.269 1.00 1.06 H new ATOM 780 N SER A 50 9.761 14.079 3.624 1.00 0.74 N ATOM 781 CA SER A 50 8.734 15.066 3.336 1.00 0.79 C ATOM 782 C SER A 50 7.360 14.430 3.212 1.00 0.75 C ATOM 783 O SER A 50 6.366 14.996 3.661 1.00 1.26 O ATOM 784 CB SER A 50 9.097 15.834 2.064 1.00 0.96 C ATOM 785 OG SER A 50 8.090 16.760 1.707 1.00 1.72 O ATOM 0 H SER A 50 9.907 13.383 2.893 1.00 0.74 H new ATOM 0 HA SER A 50 8.688 15.763 4.173 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.039 16.361 2.213 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.251 15.131 1.246 1.00 0.96 H new ATOM 0 HG SER A 50 8.356 17.234 0.891 1.00 1.72 H new ATOM 791 N GLU A 51 7.321 13.260 2.588 1.00 0.78 N ATOM 792 CA GLU A 51 6.085 12.511 2.347 1.00 0.71 C ATOM 793 C GLU A 51 5.214 13.198 1.289 1.00 0.74 C ATOM 794 O GLU A 51 4.317 12.581 0.722 1.00 0.80 O ATOM 795 CB GLU A 51 5.296 12.285 3.648 1.00 0.85 C ATOM 796 CG GLU A 51 6.045 11.435 4.668 1.00 1.46 C ATOM 797 CD GLU A 51 5.309 11.286 5.985 1.00 1.68 C ATOM 798 OE1 GLU A 51 5.401 12.200 6.834 1.00 2.02 O ATOM 799 OE2 GLU A 51 4.612 10.266 6.165 1.00 2.09 O ATOM 0 H GLU A 51 8.155 12.795 2.229 1.00 0.78 H new ATOM 0 HA GLU A 51 6.371 11.532 1.961 1.00 0.71 H new ATOM 0 HB2 GLU A 51 5.060 13.251 4.094 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.348 11.803 3.410 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.222 10.446 4.246 1.00 1.46 H new ATOM 0 HG3 GLU A 51 7.022 11.881 4.855 1.00 1.46 H new ATOM 806 N GLU A 52 5.505 14.471 1.018 1.00 0.78 N ATOM 807 CA GLU A 52 4.872 15.210 -0.074 1.00 0.89 C ATOM 808 C GLU A 52 5.361 14.672 -1.412 1.00 0.78 C ATOM 809 O GLU A 52 4.850 15.018 -2.474 1.00 0.85 O ATOM 810 CB GLU A 52 5.217 16.693 0.027 1.00 1.09 C ATOM 811 CG GLU A 52 4.882 17.307 1.374 1.00 1.70 C ATOM 812 CD GLU A 52 3.393 17.391 1.628 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.790 16.370 2.020 1.00 2.83 O ATOM 814 OE2 GLU A 52 2.821 18.488 1.448 1.00 2.43 O ATOM 0 H GLU A 52 6.184 15.017 1.548 1.00 0.78 H new ATOM 0 HA GLU A 52 3.792 15.085 -0.001 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.282 16.823 -0.167 1.00 1.09 H new ATOM 0 HB3 GLU A 52 4.682 17.235 -0.753 1.00 1.09 H new ATOM 0 HG2 GLU A 52 5.347 16.716 2.163 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.312 18.307 1.429 1.00 1.70 H new ATOM 821 N TYR A 53 6.376 13.829 -1.334 1.00 0.65 N ATOM 822 CA TYR A 53 6.972 13.211 -2.503 1.00 0.61 C ATOM 823 C TYR A 53 6.305 11.871 -2.788 1.00 0.52 C ATOM 824 O TYR A 53 6.825 11.063 -3.553 1.00 0.52 O ATOM 825 CB TYR A 53 8.479 13.034 -2.269 1.00 0.62 C ATOM 826 CG TYR A 53 9.225 14.345 -2.194 1.00 0.82 C ATOM 827 CD1 TYR A 53 9.078 15.312 -3.180 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.059 14.622 -1.126 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.748 16.516 -3.098 1.00 1.44 C ATOM 830 CE2 TYR A 53 10.728 15.821 -1.032 1.00 1.01 C ATOM 831 CZ TYR A 53 10.572 16.768 -2.023 1.00 1.25 C ATOM 832 OH TYR A 53 11.234 17.972 -1.935 1.00 1.48 O ATOM 0 H TYR A 53 6.811 13.553 -0.453 1.00 0.65 H new ATOM 0 HA TYR A 53 6.822 13.852 -3.372 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.634 12.481 -1.343 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.897 12.430 -3.074 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.430 15.119 -4.023 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.188 13.882 -0.350 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.627 17.258 -3.874 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.371 16.019 -0.187 1.00 1.01 H new ATOM 0 HH TYR A 53 11.773 17.990 -1.116 1.00 1.48 H new ATOM 842 N ASP A 54 5.138 11.665 -2.173 1.00 0.52 N ATOM 843 CA ASP A 54 4.403 10.403 -2.270 1.00 0.52 C ATOM 844 C ASP A 54 4.137 10.012 -3.716 1.00 0.57 C ATOM 845 O ASP A 54 3.950 10.866 -4.587 1.00 0.68 O ATOM 846 CB ASP A 54 3.082 10.486 -1.494 1.00 0.65 C ATOM 847 CG ASP A 54 2.131 11.523 -2.060 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.379 12.731 -1.867 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.126 11.130 -2.690 1.00 1.22 O ATOM 0 H ASP A 54 4.677 12.368 -1.595 1.00 0.52 H new ATOM 0 HA ASP A 54 5.029 9.629 -1.826 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.597 9.510 -1.506 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.293 10.724 -0.451 1.00 0.65 H new ATOM 854 N GLN A 55 4.125 8.712 -3.957 1.00 0.54 N ATOM 855 CA GLN A 55 4.038 8.180 -5.304 1.00 0.60 C ATOM 856 C GLN A 55 2.807 7.293 -5.458 1.00 0.46 C ATOM 857 O GLN A 55 2.667 6.279 -4.768 1.00 0.57 O ATOM 858 CB GLN A 55 5.302 7.373 -5.604 1.00 0.78 C ATOM 859 CG GLN A 55 6.582 8.118 -5.270 1.00 0.87 C ATOM 860 CD GLN A 55 7.797 7.216 -5.262 1.00 0.88 C ATOM 861 OE1 GLN A 55 8.156 6.652 -4.234 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.428 7.057 -6.412 1.00 0.81 N ATOM 0 H GLN A 55 4.175 8.000 -3.228 1.00 0.54 H new ATOM 0 HA GLN A 55 3.950 9.008 -6.008 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.273 6.442 -5.038 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.311 7.104 -6.660 1.00 0.78 H new ATOM 0 HG2 GLN A 55 6.732 8.917 -5.996 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.479 8.590 -4.293 1.00 0.87 H new ATOM 0 HE21 GLN A 55 8.099 7.544 -7.246 1.00 0.81 H new ATOM 0 HE22 GLN A 55 9.244 6.448 -6.466 1.00 0.81 H new ATOM 871 N VAL A 56 1.913 7.683 -6.355 1.00 0.41 N ATOM 872 CA VAL A 56 0.759 6.868 -6.686 1.00 0.37 C ATOM 873 C VAL A 56 1.177 5.773 -7.658 1.00 0.36 C ATOM 874 O VAL A 56 1.423 6.032 -8.839 1.00 0.44 O ATOM 875 CB VAL A 56 -0.377 7.707 -7.311 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.600 6.841 -7.580 1.00 0.80 C ATOM 877 CG2 VAL A 56 -0.735 8.877 -6.407 1.00 1.08 C ATOM 0 H VAL A 56 1.968 8.563 -6.867 1.00 0.41 H new ATOM 0 HA VAL A 56 0.380 6.431 -5.762 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.026 8.104 -8.263 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.388 7.452 -8.020 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.334 6.040 -8.269 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.954 6.411 -6.643 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.537 9.457 -6.863 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.065 8.501 -5.439 1.00 1.08 H new ATOM 0 HG23 VAL A 56 0.140 9.512 -6.271 1.00 1.08 H new ATOM 887 N LEU A 57 1.284 4.559 -7.150 1.00 0.34 N ATOM 888 CA LEU A 57 1.732 3.432 -7.953 1.00 0.39 C ATOM 889 C LEU A 57 0.648 2.970 -8.905 1.00 0.36 C ATOM 890 O LEU A 57 0.835 2.959 -10.125 1.00 0.48 O ATOM 891 CB LEU A 57 2.160 2.286 -7.045 1.00 0.44 C ATOM 892 CG LEU A 57 3.526 2.478 -6.400 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.837 1.346 -5.435 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.583 2.565 -7.483 1.00 0.77 C ATOM 0 H LEU A 57 1.066 4.326 -6.181 1.00 0.34 H new ATOM 0 HA LEU A 57 2.585 3.756 -8.550 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.414 2.161 -6.260 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.171 1.363 -7.624 1.00 0.44 H new ATOM 0 HG LEU A 57 3.520 3.405 -5.827 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.818 1.508 -4.988 1.00 1.05 H new ATOM 0 HD12 LEU A 57 3.081 1.319 -4.650 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.835 0.398 -5.973 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.563 2.703 -7.025 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.582 1.645 -8.068 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.366 3.410 -8.136 1.00 0.77 H new ATOM 906 N ASP A 58 -0.485 2.597 -8.344 1.00 0.31 N ATOM 907 CA ASP A 58 -1.613 2.149 -9.135 1.00 0.35 C ATOM 908 C ASP A 58 -2.897 2.405 -8.366 1.00 0.33 C ATOM 909 O ASP A 58 -2.870 2.614 -7.148 1.00 0.33 O ATOM 910 CB ASP A 58 -1.478 0.660 -9.474 1.00 0.43 C ATOM 911 CG ASP A 58 -2.470 0.214 -10.533 1.00 0.71 C ATOM 912 OD1 ASP A 58 -2.306 0.606 -11.708 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.410 -0.532 -10.200 1.00 1.31 O ATOM 0 H ASP A 58 -0.649 2.596 -7.337 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.637 2.705 -10.072 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.465 0.460 -9.822 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.626 0.070 -8.570 1.00 0.43 H new ATOM 918 N SER A 59 -4.010 2.399 -9.071 1.00 0.42 N ATOM 919 CA SER A 59 -5.296 2.634 -8.463 1.00 0.43 C ATOM 920 C SER A 59 -6.366 1.911 -9.252 1.00 0.46 C ATOM 921 O SER A 59 -6.579 2.184 -10.437 1.00 0.58 O ATOM 922 CB SER A 59 -5.579 4.134 -8.391 1.00 0.52 C ATOM 923 OG SER A 59 -5.365 4.762 -9.644 1.00 1.09 O ATOM 0 H SER A 59 -4.045 2.232 -10.077 1.00 0.42 H new ATOM 0 HA SER A 59 -5.296 2.246 -7.444 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.609 4.297 -8.072 1.00 0.52 H new ATOM 0 HB3 SER A 59 -4.936 4.591 -7.639 1.00 0.52 H new ATOM 0 HG SER A 59 -5.701 4.185 -10.361 1.00 1.09 H new ATOM 929 N VAL A 60 -7.019 0.970 -8.606 1.00 0.39 N ATOM 930 CA VAL A 60 -8.008 0.159 -9.282 1.00 0.45 C ATOM 931 C VAL A 60 -9.413 0.590 -8.889 1.00 0.38 C ATOM 932 O VAL A 60 -9.706 0.802 -7.712 1.00 0.39 O ATOM 933 CB VAL A 60 -7.811 -1.350 -9.012 1.00 0.54 C ATOM 934 CG1 VAL A 60 -6.408 -1.782 -9.392 1.00 1.22 C ATOM 935 CG2 VAL A 60 -8.089 -1.706 -7.565 1.00 1.11 C ATOM 0 H VAL A 60 -6.885 0.748 -7.620 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.874 0.316 -10.352 1.00 0.45 H new ATOM 0 HB VAL A 60 -8.531 -1.885 -9.632 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -6.289 -2.847 -9.194 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -6.242 -1.589 -10.452 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -5.682 -1.221 -8.803 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -7.939 -2.776 -7.418 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -7.410 -1.152 -6.917 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -9.118 -1.447 -7.318 1.00 1.11 H new ATOM 945 N LEU A 61 -10.265 0.753 -9.886 1.00 0.40 N ATOM 946 CA LEU A 61 -11.638 1.169 -9.661 1.00 0.39 C ATOM 947 C LEU A 61 -12.567 0.028 -10.037 1.00 0.38 C ATOM 948 O LEU A 61 -12.762 -0.235 -11.223 1.00 0.57 O ATOM 949 CB LEU A 61 -12.002 2.398 -10.521 1.00 0.51 C ATOM 950 CG LEU A 61 -11.101 3.639 -10.401 1.00 0.62 C ATOM 951 CD1 LEU A 61 -10.829 3.977 -8.949 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.799 3.458 -11.172 1.00 1.34 C ATOM 0 H LEU A 61 -10.027 0.602 -10.866 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.745 1.434 -8.609 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -12.010 2.087 -11.566 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.020 2.695 -10.269 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.636 4.477 -10.848 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.190 4.858 -8.894 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -11.771 4.180 -8.440 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.330 3.136 -8.467 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.186 4.353 -11.066 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.258 2.599 -10.776 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -10.020 3.293 -12.226 1.00 1.34 H new ATOM 964 N VAL A 62 -13.133 -0.664 -9.058 1.00 0.27 N ATOM 965 CA VAL A 62 -14.045 -1.750 -9.384 1.00 0.27 C ATOM 966 C VAL A 62 -15.474 -1.222 -9.436 1.00 0.26 C ATOM 967 O VAL A 62 -16.106 -0.990 -8.403 1.00 0.30 O ATOM 968 CB VAL A 62 -13.948 -2.897 -8.348 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.904 -4.029 -8.701 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.518 -3.413 -8.254 1.00 0.59 C ATOM 0 H VAL A 62 -12.984 -0.501 -8.062 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.764 -2.149 -10.358 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.236 -2.501 -7.374 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.818 -4.823 -7.959 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.927 -3.652 -8.712 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.653 -4.424 -9.685 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.469 -4.218 -7.521 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.202 -3.788 -9.227 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.858 -2.602 -7.946 1.00 0.59 H new ATOM 980 N GLY A 63 -15.950 -0.996 -10.653 1.00 0.28 N ATOM 981 CA GLY A 63 -17.307 -0.554 -10.871 1.00 0.33 C ATOM 982 C GLY A 63 -18.201 -1.660 -11.413 1.00 0.36 C ATOM 983 O GLY A 63 -17.939 -2.169 -12.505 1.00 0.42 O ATOM 0 H GLY A 63 -15.405 -1.115 -11.507 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.720 -0.184 -9.933 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.305 0.282 -11.570 1.00 0.33 H new ATOM 987 N PRO A 64 -19.252 -2.069 -10.697 1.00 0.39 N ATOM 988 CA PRO A 64 -19.490 -1.715 -9.315 1.00 0.39 C ATOM 989 C PRO A 64 -19.095 -2.861 -8.392 1.00 0.38 C ATOM 990 O PRO A 64 -18.825 -3.971 -8.852 1.00 0.41 O ATOM 991 CB PRO A 64 -21.002 -1.510 -9.304 1.00 0.48 C ATOM 992 CG PRO A 64 -21.523 -2.509 -10.294 1.00 0.55 C ATOM 993 CD PRO A 64 -20.369 -2.876 -11.211 1.00 0.48 C ATOM 0 HA PRO A 64 -18.922 -0.851 -8.972 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.419 -1.680 -8.311 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.267 -0.492 -9.590 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.905 -3.393 -9.784 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.350 -2.089 -10.866 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.146 -3.942 -11.169 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.591 -2.637 -12.251 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.030 -2.595 -7.105 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.742 -3.645 -6.144 1.00 0.40 C ATOM 1003 C VAL A 65 -20.026 -4.208 -5.558 1.00 0.41 C ATOM 1004 O VAL A 65 -20.674 -3.574 -4.724 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.817 -3.163 -5.015 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.430 -3.741 -5.209 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.760 -1.644 -4.971 1.00 0.95 C ATOM 0 H VAL A 65 -19.171 -1.670 -6.700 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.220 -4.433 -6.686 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.218 -3.510 -4.063 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -15.777 -3.397 -4.407 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -16.484 -4.830 -5.192 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.030 -3.413 -6.168 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -17.099 -1.328 -4.164 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -17.380 -1.267 -5.920 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.760 -1.247 -4.797 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.424 -5.403 -6.015 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.624 -6.074 -5.540 1.00 0.48 C ATOM 1019 C PRO A 66 -21.366 -6.810 -4.237 1.00 0.39 C ATOM 1020 O PRO A 66 -20.233 -7.229 -3.967 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.959 -7.068 -6.665 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.893 -6.898 -7.706 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.745 -6.206 -7.031 1.00 0.46 C ATOM 0 HA PRO A 66 -22.434 -5.376 -5.331 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -21.975 -8.091 -6.288 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.946 -6.866 -7.082 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.583 -7.864 -8.105 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.261 -6.309 -8.546 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.045 -6.915 -6.589 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.177 -5.588 -7.726 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.416 -6.969 -3.445 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.312 -7.609 -2.142 1.00 0.36 C ATOM 1033 C ALA A 67 -21.714 -9.006 -2.252 1.00 0.34 C ATOM 1034 O ALA A 67 -22.233 -9.864 -2.966 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.672 -7.670 -1.467 1.00 0.40 C ATOM 0 H ALA A 67 -23.358 -6.660 -3.685 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.642 -7.005 -1.531 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.574 -8.152 -0.494 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.058 -6.659 -1.334 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.361 -8.243 -2.088 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.615 -9.218 -1.548 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.940 -10.493 -1.578 1.00 0.33 C ATOM 1043 C GLY A 68 -18.515 -10.353 -1.113 1.00 0.27 C ATOM 1044 O GLY A 68 -17.968 -9.250 -1.120 1.00 0.26 O ATOM 0 H GLY A 68 -20.175 -8.519 -0.950 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.467 -11.204 -0.942 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -19.959 -10.896 -2.590 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.903 -11.445 -0.703 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.541 -11.388 -0.210 1.00 0.26 C ATOM 1050 C ARG A 69 -15.560 -11.582 -1.358 1.00 0.26 C ATOM 1051 O ARG A 69 -15.426 -12.679 -1.903 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.323 -12.425 0.878 1.00 0.32 C ATOM 1053 CG ARG A 69 -15.050 -12.206 1.669 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.926 -13.208 2.803 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.916 -12.966 3.854 1.00 1.24 N ATOM 1056 CZ ARG A 69 -16.245 -13.850 4.795 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -15.703 -15.060 4.810 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -17.127 -13.514 5.721 1.00 2.78 N ATOM 0 H ARG A 69 -18.322 -12.375 -0.701 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.365 -10.405 0.227 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -17.173 -12.410 1.560 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.295 -13.416 0.425 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.188 -12.294 1.007 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -15.040 -11.194 2.073 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -15.051 -14.217 2.411 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.924 -13.153 3.228 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.385 -12.060 3.867 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.025 -15.324 4.095 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -15.964 -15.727 5.536 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -17.549 -12.585 5.711 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -17.386 -14.183 6.446 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.889 -10.502 -1.729 1.00 0.21 N ATOM 1073 CA HIS A 70 -13.998 -10.502 -2.880 1.00 0.24 C ATOM 1074 C HIS A 70 -12.542 -10.575 -2.435 1.00 0.25 C ATOM 1075 O HIS A 70 -12.063 -9.708 -1.706 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.200 -9.234 -3.719 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.606 -9.013 -4.196 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.118 -9.576 -5.345 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.608 -8.267 -3.671 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.369 -9.185 -5.506 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.692 -8.391 -4.503 1.00 0.47 N ATOM 0 H HIS A 70 -14.946 -9.606 -1.244 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.236 -11.378 -3.483 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -13.892 -8.371 -3.128 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.540 -9.279 -4.585 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.562 -7.682 -2.764 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.018 -9.468 -6.321 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.598 -7.943 -4.368 1.00 0.47 H new ATOM 1090 N MET A 71 -11.852 -11.612 -2.870 1.00 0.33 N ATOM 1091 CA MET A 71 -10.429 -11.759 -2.599 1.00 0.38 C ATOM 1092 C MET A 71 -9.626 -11.386 -3.839 1.00 0.38 C ATOM 1093 O MET A 71 -9.470 -12.201 -4.752 1.00 0.48 O ATOM 1094 CB MET A 71 -10.119 -13.202 -2.189 1.00 0.47 C ATOM 1095 CG MET A 71 -8.632 -13.495 -2.028 1.00 0.60 C ATOM 1096 SD MET A 71 -8.292 -15.236 -1.699 1.00 0.80 S ATOM 1097 CE MET A 71 -9.084 -15.441 -0.105 1.00 1.80 C ATOM 0 H MET A 71 -12.255 -12.372 -3.417 1.00 0.33 H new ATOM 0 HA MET A 71 -10.152 -11.093 -1.781 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.625 -13.418 -1.248 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.533 -13.878 -2.937 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.107 -13.192 -2.934 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.234 -12.892 -1.212 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.900 -16.449 0.266 1.00 1.80 H new ATOM 0 HE2 MET A 71 -8.678 -14.715 0.599 1.00 1.80 H new ATOM 0 HE3 MET A 71 -10.158 -15.284 -0.209 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.144 -10.153 -3.895 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.400 -9.704 -5.062 1.00 0.31 C ATOM 1109 C PHE A 72 -6.972 -9.339 -4.675 1.00 0.29 C ATOM 1110 O PHE A 72 -6.717 -8.836 -3.579 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.111 -8.524 -5.753 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.809 -7.164 -5.177 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.238 -6.814 -3.909 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.094 -6.234 -5.919 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -8.959 -5.565 -3.389 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.813 -4.985 -5.402 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.244 -4.651 -4.136 1.00 0.29 C ATOM 0 H PHE A 72 -9.252 -9.456 -3.159 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.358 -10.525 -5.778 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.836 -8.523 -6.808 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.187 -8.690 -5.704 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.797 -7.525 -3.319 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.754 -6.490 -6.911 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.300 -5.304 -2.398 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.256 -4.270 -5.989 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.022 -3.675 -3.729 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.040 -9.611 -5.570 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.637 -9.344 -5.312 1.00 0.29 C ATOM 1129 C VAL A 73 -4.172 -8.095 -6.047 1.00 0.30 C ATOM 1130 O VAL A 73 -3.929 -8.114 -7.253 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.739 -10.544 -5.685 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.750 -11.581 -4.575 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.189 -11.176 -6.991 1.00 1.00 C ATOM 0 H VAL A 73 -6.231 -10.018 -6.486 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.542 -9.177 -4.239 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.722 -10.174 -5.814 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.112 -12.420 -4.854 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.377 -11.132 -3.654 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.769 -11.936 -4.419 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.540 -12.018 -7.230 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.216 -11.527 -6.891 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.134 -10.437 -7.791 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.061 -7.009 -5.304 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.606 -5.747 -5.852 1.00 0.25 C ATOM 1145 C PHE A 74 -2.105 -5.829 -6.086 1.00 0.25 C ATOM 1146 O PHE A 74 -1.356 -6.269 -5.213 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.937 -4.608 -4.880 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.873 -3.224 -5.476 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.745 -2.780 -6.150 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.948 -2.361 -5.351 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.689 -1.509 -6.686 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.899 -1.088 -5.881 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.770 -0.660 -6.549 1.00 0.31 C ATOM 0 H PHE A 74 -4.283 -6.978 -4.309 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.109 -5.546 -6.798 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.939 -4.770 -4.481 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.247 -4.657 -4.038 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.896 -3.439 -6.257 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.837 -2.688 -4.832 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.804 -1.180 -7.210 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.745 -0.426 -5.773 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.732 0.336 -6.964 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.676 -5.429 -7.268 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.268 -5.470 -7.615 1.00 0.27 C ATOM 1165 C GLN A 75 0.171 -4.119 -8.154 1.00 0.32 C ATOM 1166 O GLN A 75 -0.439 -3.579 -9.080 1.00 0.41 O ATOM 1167 CB GLN A 75 0.005 -6.570 -8.647 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.459 -7.949 -8.200 1.00 0.49 C ATOM 1169 CD GLN A 75 -0.223 -9.020 -9.245 1.00 0.52 C ATOM 1170 OE1 GLN A 75 0.724 -8.948 -10.027 1.00 1.14 O ATOM 1171 NE2 GLN A 75 -1.089 -10.018 -9.268 1.00 1.12 N ATOM 0 H GLN A 75 -2.283 -5.071 -8.005 1.00 0.24 H new ATOM 0 HA GLN A 75 0.306 -5.698 -6.716 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.494 -6.313 -9.581 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.074 -6.605 -8.855 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.063 -8.222 -7.283 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.522 -7.909 -7.962 1.00 0.49 H new ATOM 0 HE21 GLN A 75 -1.861 -10.039 -8.601 1.00 1.12 H new ATOM 0 HE22 GLN A 75 -0.986 -10.767 -9.953 1.00 1.12 H new ATOM 1180 N ALA A 76 1.203 -3.565 -7.548 1.00 0.36 N ATOM 1181 CA ALA A 76 1.745 -2.292 -7.983 1.00 0.46 C ATOM 1182 C ALA A 76 3.233 -2.422 -8.262 1.00 0.40 C ATOM 1183 O ALA A 76 3.943 -3.126 -7.546 1.00 0.48 O ATOM 1184 CB ALA A 76 1.480 -1.219 -6.938 1.00 0.56 C ATOM 0 H ALA A 76 1.685 -3.978 -6.750 1.00 0.36 H new ATOM 0 HA ALA A 76 1.249 -1.995 -8.907 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.893 -0.269 -7.279 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.405 -1.115 -6.788 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.952 -1.503 -5.997 1.00 0.56 H new ATOM 1190 N ASP A 77 3.692 -1.754 -9.309 1.00 0.56 N ATOM 1191 CA ASP A 77 5.090 -1.818 -9.724 1.00 0.61 C ATOM 1192 C ASP A 77 5.993 -1.039 -8.771 1.00 0.43 C ATOM 1193 O ASP A 77 5.537 -0.513 -7.755 1.00 0.47 O ATOM 1194 CB ASP A 77 5.241 -1.287 -11.155 1.00 0.95 C ATOM 1195 CG ASP A 77 4.647 0.098 -11.338 1.00 1.54 C ATOM 1196 OD1 ASP A 77 3.411 0.219 -11.443 1.00 2.13 O ATOM 1197 OD2 ASP A 77 5.424 1.080 -11.367 1.00 2.06 O ATOM 0 H ASP A 77 3.111 -1.154 -9.895 1.00 0.56 H new ATOM 0 HA ASP A 77 5.401 -2.862 -9.696 1.00 0.61 H new ATOM 0 HB2 ASP A 77 6.299 -1.261 -11.417 1.00 0.95 H new ATOM 0 HB3 ASP A 77 4.758 -1.978 -11.846 1.00 0.95 H new ATOM 1202 N ALA A 78 7.276 -0.985 -9.099 1.00 0.45 N ATOM 1203 CA ALA A 78 8.250 -0.304 -8.269 1.00 0.36 C ATOM 1204 C ALA A 78 8.239 1.192 -8.551 1.00 0.37 C ATOM 1205 O ALA A 78 8.369 1.614 -9.702 1.00 0.46 O ATOM 1206 CB ALA A 78 9.637 -0.881 -8.508 1.00 0.40 C ATOM 0 H ALA A 78 7.665 -1.409 -9.941 1.00 0.45 H new ATOM 0 HA ALA A 78 7.984 -0.457 -7.223 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.360 -0.362 -7.879 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.637 -1.943 -8.261 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.909 -0.753 -9.556 1.00 0.40 H new ATOM 1212 N PRO A 79 8.074 2.005 -7.498 1.00 0.34 N ATOM 1213 CA PRO A 79 8.055 3.466 -7.612 1.00 0.43 C ATOM 1214 C PRO A 79 9.351 4.022 -8.199 1.00 0.41 C ATOM 1215 O PRO A 79 10.394 3.367 -8.160 1.00 0.47 O ATOM 1216 CB PRO A 79 7.886 3.940 -6.165 1.00 0.47 C ATOM 1217 CG PRO A 79 7.344 2.770 -5.423 1.00 0.53 C ATOM 1218 CD PRO A 79 7.894 1.557 -6.108 1.00 0.33 C ATOM 0 HA PRO A 79 7.266 3.806 -8.282 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.838 4.264 -5.745 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.206 4.790 -6.108 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.646 2.798 -4.376 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.254 2.768 -5.440 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.836 1.237 -5.663 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.208 0.713 -6.043 1.00 0.33 H new ATOM 1226 N ASN A 80 9.278 5.233 -8.741 1.00 0.43 N ATOM 1227 CA ASN A 80 10.459 5.893 -9.300 1.00 0.46 C ATOM 1228 C ASN A 80 11.552 6.043 -8.249 1.00 0.40 C ATOM 1229 O ASN A 80 11.323 6.621 -7.185 1.00 0.39 O ATOM 1230 CB ASN A 80 10.133 7.286 -9.840 1.00 0.56 C ATOM 1231 CG ASN A 80 9.341 7.282 -11.130 1.00 1.33 C ATOM 1232 OD1 ASN A 80 9.906 7.175 -12.218 1.00 2.19 O ATOM 1233 ND2 ASN A 80 8.034 7.444 -11.021 1.00 1.59 N ATOM 0 H ASN A 80 8.418 5.778 -8.806 1.00 0.43 H new ATOM 0 HA ASN A 80 10.803 5.258 -10.117 1.00 0.46 H new ATOM 0 HB2 ASN A 80 9.571 7.834 -9.084 1.00 0.56 H new ATOM 0 HB3 ASN A 80 11.065 7.828 -10.001 1.00 0.56 H new ATOM 0 HD21 ASN A 80 7.453 7.484 -11.859 1.00 1.59 H new ATOM 0 HD22 ASN A 80 7.606 7.529 -10.099 1.00 1.59 H new ATOM 1240 N PRO A 81 12.755 5.535 -8.540 1.00 0.41 N ATOM 1241 CA PRO A 81 13.908 5.654 -7.642 1.00 0.41 C ATOM 1242 C PRO A 81 14.354 7.099 -7.467 1.00 0.43 C ATOM 1243 O PRO A 81 14.992 7.446 -6.477 1.00 0.48 O ATOM 1244 CB PRO A 81 15.003 4.841 -8.342 1.00 0.47 C ATOM 1245 CG PRO A 81 14.282 3.984 -9.324 1.00 0.54 C ATOM 1246 CD PRO A 81 13.089 4.784 -9.758 1.00 0.48 C ATOM 0 HA PRO A 81 13.676 5.299 -6.638 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.721 5.493 -8.840 1.00 0.47 H new ATOM 0 HB3 PRO A 81 15.563 4.237 -7.628 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.920 3.739 -10.173 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.978 3.040 -8.872 1.00 0.54 H new ATOM 0 HD2 PRO A 81 13.325 5.445 -10.592 1.00 0.48 H new ATOM 0 HD3 PRO A 81 12.267 4.145 -10.080 1.00 0.48 H new ATOM 1254 N GLY A 82 14.006 7.940 -8.435 1.00 0.45 N ATOM 1255 CA GLY A 82 14.371 9.337 -8.371 1.00 0.49 C ATOM 1256 C GLY A 82 13.448 10.125 -7.467 1.00 0.48 C ATOM 1257 O GLY A 82 13.780 11.229 -7.037 1.00 0.51 O ATOM 0 H GLY A 82 13.475 7.674 -9.265 1.00 0.45 H new ATOM 0 HA2 GLY A 82 15.396 9.428 -8.010 1.00 0.49 H new ATOM 0 HA3 GLY A 82 14.347 9.764 -9.374 1.00 0.49 H new ATOM 1261 N LEU A 83 12.287 9.556 -7.176 1.00 0.46 N ATOM 1262 CA LEU A 83 11.313 10.212 -6.309 1.00 0.49 C ATOM 1263 C LEU A 83 11.599 9.868 -4.850 1.00 0.46 C ATOM 1264 O LEU A 83 11.347 10.672 -3.949 1.00 0.52 O ATOM 1265 CB LEU A 83 9.880 9.813 -6.696 1.00 0.52 C ATOM 1266 CG LEU A 83 9.254 10.595 -7.865 1.00 0.58 C ATOM 1267 CD1 LEU A 83 10.077 10.474 -9.137 1.00 1.60 C ATOM 1268 CD2 LEU A 83 7.827 10.134 -8.110 1.00 1.34 C ATOM 0 H LEU A 83 11.995 8.643 -7.526 1.00 0.46 H new ATOM 0 HA LEU A 83 11.403 11.291 -6.436 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.875 8.753 -6.950 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.242 9.934 -5.821 1.00 0.52 H new ATOM 0 HG LEU A 83 9.243 11.648 -7.583 1.00 0.58 H new ATOM 0 HD11 LEU A 83 9.598 11.041 -9.935 1.00 1.60 H new ATOM 0 HD12 LEU A 83 11.078 10.868 -8.962 1.00 1.60 H new ATOM 0 HD13 LEU A 83 10.146 9.426 -9.428 1.00 1.60 H new ATOM 0 HD21 LEU A 83 7.400 10.697 -8.940 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.825 9.072 -8.353 1.00 1.34 H new ATOM 0 HD23 LEU A 83 7.231 10.302 -7.213 1.00 1.34 H new ATOM 1280 N ILE A 84 12.149 8.680 -4.634 1.00 0.41 N ATOM 1281 CA ILE A 84 12.561 8.251 -3.305 1.00 0.40 C ATOM 1282 C ILE A 84 13.910 8.877 -2.952 1.00 0.46 C ATOM 1283 O ILE A 84 14.857 8.812 -3.739 1.00 0.52 O ATOM 1284 CB ILE A 84 12.662 6.711 -3.226 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.329 6.074 -3.623 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.066 6.265 -1.826 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.365 4.562 -3.680 1.00 0.33 C ATOM 0 H ILE A 84 12.321 7.993 -5.368 1.00 0.41 H new ATOM 0 HA ILE A 84 11.808 8.582 -2.590 1.00 0.40 H new ATOM 0 HB ILE A 84 13.432 6.381 -3.923 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.564 6.383 -2.911 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.030 6.458 -4.599 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.131 5.177 -1.795 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.036 6.693 -1.573 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.321 6.605 -1.107 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.384 4.185 -3.968 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.106 4.243 -4.413 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.632 4.167 -2.700 1.00 0.33 H new ATOM 1299 N PRO A 85 14.007 9.512 -1.774 1.00 0.48 N ATOM 1300 CA PRO A 85 15.226 10.180 -1.331 1.00 0.57 C ATOM 1301 C PRO A 85 16.269 9.193 -0.812 1.00 0.56 C ATOM 1302 O PRO A 85 15.939 8.077 -0.399 1.00 0.55 O ATOM 1303 CB PRO A 85 14.728 11.093 -0.211 1.00 0.68 C ATOM 1304 CG PRO A 85 13.565 10.367 0.366 1.00 0.81 C ATOM 1305 CD PRO A 85 12.935 9.609 -0.769 1.00 0.50 C ATOM 0 HA PRO A 85 15.728 10.712 -2.139 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.502 11.263 0.537 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.436 12.070 -0.595 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.884 9.688 1.157 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.854 11.063 0.811 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.596 8.623 -0.451 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.064 10.133 -1.164 1.00 0.50 H new ATOM 1313 N ASP A 86 17.524 9.620 -0.821 1.00 0.67 N ATOM 1314 CA ASP A 86 18.637 8.760 -0.430 1.00 0.76 C ATOM 1315 C ASP A 86 18.517 8.297 1.021 1.00 0.78 C ATOM 1316 O ASP A 86 18.755 7.128 1.327 1.00 0.86 O ATOM 1317 CB ASP A 86 19.981 9.471 -0.649 1.00 0.98 C ATOM 1318 CG ASP A 86 20.132 10.755 0.143 1.00 1.52 C ATOM 1319 OD1 ASP A 86 19.576 11.791 -0.279 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.822 10.740 1.179 1.00 2.29 O ATOM 0 H ASP A 86 17.800 10.563 -1.096 1.00 0.67 H new ATOM 0 HA ASP A 86 18.597 7.876 -1.067 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.789 8.791 -0.378 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.094 9.694 -1.710 1.00 0.98 H new ATOM 1325 N ALA A 87 18.130 9.206 1.905 1.00 0.83 N ATOM 1326 CA ALA A 87 18.006 8.893 3.326 1.00 0.99 C ATOM 1327 C ALA A 87 16.875 7.901 3.593 1.00 0.90 C ATOM 1328 O ALA A 87 16.932 7.127 4.549 1.00 1.07 O ATOM 1329 CB ALA A 87 17.785 10.167 4.129 1.00 1.25 C ATOM 0 H ALA A 87 17.895 10.169 1.665 1.00 0.83 H new ATOM 0 HA ALA A 87 18.938 8.425 3.641 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.694 9.919 5.187 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.631 10.839 3.985 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.871 10.656 3.791 1.00 1.25 H new ATOM 1335 N ASP A 88 15.858 7.923 2.740 1.00 0.76 N ATOM 1336 CA ASP A 88 14.680 7.077 2.925 1.00 0.78 C ATOM 1337 C ASP A 88 14.950 5.642 2.499 1.00 0.62 C ATOM 1338 O ASP A 88 14.522 4.697 3.163 1.00 0.64 O ATOM 1339 CB ASP A 88 13.502 7.625 2.122 1.00 0.99 C ATOM 1340 CG ASP A 88 12.231 6.819 2.311 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.091 5.787 1.636 1.00 1.94 O ATOM 1342 OD2 ASP A 88 11.385 7.211 3.135 1.00 1.68 O ATOM 0 H ASP A 88 15.823 8.517 1.912 1.00 0.76 H new ATOM 0 HA ASP A 88 14.438 7.084 3.988 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.318 8.658 2.416 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.764 7.637 1.064 1.00 0.99 H new ATOM 1347 N ALA A 89 15.684 5.493 1.403 1.00 0.54 N ATOM 1348 CA ALA A 89 15.898 4.187 0.789 1.00 0.49 C ATOM 1349 C ALA A 89 16.622 3.221 1.722 1.00 0.44 C ATOM 1350 O ALA A 89 16.467 2.012 1.613 1.00 0.51 O ATOM 1351 CB ALA A 89 16.660 4.343 -0.518 1.00 0.48 C ATOM 0 H ALA A 89 16.143 6.264 0.919 1.00 0.54 H new ATOM 0 HA ALA A 89 14.918 3.756 0.584 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.815 3.362 -0.968 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.086 4.970 -1.201 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.626 4.809 -0.323 1.00 0.48 H new ATOM 1357 N VAL A 90 17.428 3.749 2.625 1.00 0.41 N ATOM 1358 CA VAL A 90 18.131 2.913 3.587 1.00 0.43 C ATOM 1359 C VAL A 90 17.438 2.983 4.956 1.00 0.43 C ATOM 1360 O VAL A 90 18.090 3.007 6.003 1.00 0.49 O ATOM 1361 CB VAL A 90 19.611 3.338 3.717 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.430 2.234 4.369 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.189 3.691 2.357 1.00 0.54 C ATOM 0 H VAL A 90 17.613 4.748 2.714 1.00 0.41 H new ATOM 0 HA VAL A 90 18.104 1.885 3.226 1.00 0.43 H new ATOM 0 HB VAL A 90 19.656 4.223 4.351 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.469 2.552 4.452 1.00 0.56 H new ATOM 0 HG12 VAL A 90 20.034 2.026 5.363 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.374 1.332 3.760 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.232 3.988 2.471 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.128 2.824 1.699 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.623 4.515 1.924 1.00 0.54 H new ATOM 1373 N GLY A 91 16.112 3.005 4.948 1.00 0.42 N ATOM 1374 CA GLY A 91 15.377 3.201 6.183 1.00 0.46 C ATOM 1375 C GLY A 91 14.019 2.531 6.179 1.00 0.43 C ATOM 1376 O GLY A 91 13.896 1.358 5.827 1.00 0.62 O ATOM 0 H GLY A 91 15.535 2.892 4.115 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.965 2.812 7.014 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.248 4.269 6.356 1.00 0.46 H new ATOM 1380 N VAL A 92 12.999 3.282 6.571 1.00 0.40 N ATOM 1381 CA VAL A 92 11.647 2.758 6.655 1.00 0.38 C ATOM 1382 C VAL A 92 10.668 3.681 5.939 1.00 0.36 C ATOM 1383 O VAL A 92 10.645 4.893 6.165 1.00 0.55 O ATOM 1384 CB VAL A 92 11.203 2.548 8.124 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.312 3.837 8.927 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.785 2.001 8.189 1.00 1.23 C ATOM 0 H VAL A 92 13.086 4.263 6.837 1.00 0.40 H new ATOM 0 HA VAL A 92 11.645 1.786 6.162 1.00 0.38 H new ATOM 0 HB VAL A 92 11.878 1.816 8.569 1.00 0.50 H new ATOM 0 HG11 VAL A 92 10.993 3.655 9.953 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.346 4.181 8.924 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.675 4.600 8.479 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.496 1.862 9.231 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.101 2.704 7.714 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.740 1.044 7.669 1.00 1.23 H new ATOM 1396 N THR A 93 9.868 3.097 5.076 1.00 0.28 N ATOM 1397 CA THR A 93 8.904 3.827 4.291 1.00 0.28 C ATOM 1398 C THR A 93 7.519 3.232 4.540 1.00 0.27 C ATOM 1399 O THR A 93 7.403 2.164 5.137 1.00 0.41 O ATOM 1400 CB THR A 93 9.267 3.733 2.796 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.693 3.727 2.650 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.688 4.899 2.017 1.00 0.59 C ATOM 0 H THR A 93 9.870 2.092 4.899 1.00 0.28 H new ATOM 0 HA THR A 93 8.907 4.878 4.579 1.00 0.28 H new ATOM 0 HB THR A 93 8.845 2.810 2.399 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.995 4.610 2.350 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.961 4.805 0.966 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.602 4.897 2.112 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.085 5.834 2.413 1.00 0.59 H new ATOM 1410 N VAL A 94 6.467 3.910 4.127 1.00 0.25 N ATOM 1411 CA VAL A 94 5.127 3.381 4.326 1.00 0.25 C ATOM 1412 C VAL A 94 4.459 3.110 2.986 1.00 0.24 C ATOM 1413 O VAL A 94 4.526 3.932 2.071 1.00 0.28 O ATOM 1414 CB VAL A 94 4.243 4.343 5.156 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.891 3.712 5.459 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.948 4.751 6.441 1.00 0.32 C ATOM 0 H VAL A 94 6.508 4.815 3.658 1.00 0.25 H new ATOM 0 HA VAL A 94 5.229 2.449 4.882 1.00 0.25 H new ATOM 0 HB VAL A 94 4.072 5.241 4.563 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.288 4.407 6.043 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.379 3.483 4.525 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.037 2.793 6.027 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.308 5.427 7.008 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.158 3.864 7.038 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.884 5.255 6.198 1.00 0.32 H new ATOM 1426 N VAL A 95 3.836 1.951 2.862 1.00 0.22 N ATOM 1427 CA VAL A 95 3.045 1.648 1.690 1.00 0.22 C ATOM 1428 C VAL A 95 1.591 1.523 2.116 1.00 0.24 C ATOM 1429 O VAL A 95 1.208 0.586 2.820 1.00 0.34 O ATOM 1430 CB VAL A 95 3.540 0.373 0.954 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.616 -0.829 1.885 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.653 0.066 -0.244 1.00 0.60 C ATOM 0 H VAL A 95 3.865 1.207 3.560 1.00 0.22 H new ATOM 0 HA VAL A 95 3.151 2.459 0.969 1.00 0.22 H new ATOM 0 HB VAL A 95 4.551 0.575 0.600 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.967 -1.698 1.329 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.309 -0.615 2.699 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.627 -1.035 2.295 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.017 -0.831 -0.746 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.629 -0.097 0.093 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.677 0.905 -0.939 1.00 0.60 H new ATOM 1442 N LEU A 96 0.792 2.502 1.741 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.552 2.591 2.266 1.00 0.26 C ATOM 1444 C LEU A 96 -1.596 2.527 1.164 1.00 0.24 C ATOM 1445 O LEU A 96 -1.455 3.141 0.106 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.708 3.855 3.130 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.327 5.182 2.465 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.524 5.791 1.757 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.239 6.150 3.491 1.00 1.21 C ATOM 0 H LEU A 96 1.047 3.238 1.083 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.723 1.723 2.903 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.746 3.921 3.456 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.100 3.734 4.026 1.00 0.44 H new ATOM 0 HG LEU A 96 0.443 4.983 1.720 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.231 6.732 1.292 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -1.882 5.103 0.991 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.319 5.975 2.479 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.504 7.087 3.000 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.508 6.342 4.261 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.128 5.716 3.949 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.628 1.746 1.418 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.737 1.614 0.495 1.00 0.24 C ATOM 1463 C ILE A 97 -4.938 2.391 1.015 1.00 0.26 C ATOM 1464 O ILE A 97 -5.504 2.049 2.054 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.136 0.136 0.302 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.911 -0.701 -0.083 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.224 0.016 -0.759 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.193 -2.184 -0.168 1.00 0.30 C ATOM 0 H ILE A 97 -2.721 1.188 2.266 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.419 2.016 -0.467 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.530 -0.246 1.244 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.534 -0.356 -1.046 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.121 -0.531 0.649 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.496 -1.032 -0.885 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.101 0.583 -0.447 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.855 0.411 -1.705 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.281 -2.713 -0.445 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.541 -2.544 0.800 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.960 -2.366 -0.920 1.00 0.30 H new ATOM 1480 N THR A 98 -5.301 3.450 0.313 1.00 0.29 N ATOM 1481 CA THR A 98 -6.478 4.221 0.663 1.00 0.33 C ATOM 1482 C THR A 98 -7.623 3.843 -0.258 1.00 0.28 C ATOM 1483 O THR A 98 -7.497 3.936 -1.482 1.00 0.37 O ATOM 1484 CB THR A 98 -6.228 5.743 0.561 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.880 6.094 -0.783 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.118 6.180 1.507 1.00 1.07 C ATOM 0 H THR A 98 -4.796 3.795 -0.503 1.00 0.29 H new ATOM 0 HA THR A 98 -6.726 3.990 1.699 1.00 0.33 H new ATOM 0 HB THR A 98 -7.147 6.256 0.846 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.329 5.486 -1.407 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.963 7.255 1.414 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.399 5.941 2.533 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.196 5.657 1.252 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.722 3.395 0.316 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.877 3.051 -0.481 1.00 0.29 C ATOM 1496 C CYS A 99 -10.912 4.159 -0.394 1.00 0.31 C ATOM 1497 O CYS A 99 -11.418 4.479 0.686 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.470 1.715 -0.046 1.00 0.36 C ATOM 1499 SG CYS A 99 -11.668 1.047 -1.219 1.00 1.32 S ATOM 0 H CYS A 99 -8.837 3.262 1.321 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.562 2.945 -1.519 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -9.663 0.994 0.088 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -10.952 1.838 0.924 1.00 0.36 H new ATOM 0 HG CYS A 99 -11.212 -0.063 -1.720 1.00 1.32 H new ATOM 1505 N THR A 100 -11.205 4.742 -1.539 1.00 0.34 N ATOM 1506 CA THR A 100 -12.074 5.896 -1.627 1.00 0.38 C ATOM 1507 C THR A 100 -13.481 5.495 -2.058 1.00 0.37 C ATOM 1508 O THR A 100 -13.653 4.729 -3.009 1.00 0.41 O ATOM 1509 CB THR A 100 -11.511 6.900 -2.649 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.108 7.088 -2.428 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.224 8.240 -2.556 1.00 0.50 C ATOM 0 H THR A 100 -10.844 4.426 -2.439 1.00 0.34 H new ATOM 0 HA THR A 100 -12.123 6.352 -0.638 1.00 0.38 H new ATOM 0 HB THR A 100 -11.675 6.492 -3.646 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.716 7.555 -3.195 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.804 8.927 -3.290 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.287 8.101 -2.755 1.00 0.50 H new ATOM 0 HG23 THR A 100 -12.093 8.653 -1.556 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.483 6.001 -1.350 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.865 5.828 -1.759 1.00 0.40 C ATOM 1521 C TYR A 101 -16.595 7.165 -1.661 1.00 0.44 C ATOM 1522 O TYR A 101 -16.636 7.769 -0.590 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.564 4.774 -0.894 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.913 4.351 -1.428 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.026 3.763 -2.681 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.068 4.533 -0.681 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.256 3.370 -3.177 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.299 4.142 -1.169 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.389 3.561 -2.417 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.617 3.175 -2.907 1.00 0.65 O ATOM 0 H TYR A 101 -14.361 6.535 -0.489 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.885 5.480 -2.792 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.922 3.897 -0.816 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.689 5.168 0.114 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.139 3.610 -3.278 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.003 4.987 0.297 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.328 2.916 -4.154 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.189 4.291 -0.575 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.312 3.379 -2.246 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.130 7.636 -2.789 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.874 8.900 -2.849 1.00 0.59 C ATOM 1542 C ARG A 102 -16.969 10.092 -2.545 1.00 0.57 C ATOM 1543 O ARG A 102 -17.431 11.131 -2.072 1.00 0.64 O ATOM 1544 CB ARG A 102 -19.068 8.883 -1.884 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.061 7.765 -2.157 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.659 7.878 -3.551 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.481 9.077 -3.712 1.00 1.26 N ATOM 1548 CZ ARG A 102 -21.561 9.786 -4.840 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -20.777 9.498 -5.874 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.403 10.809 -4.929 1.00 2.45 N ATOM 0 H ARG A 102 -17.061 7.155 -3.686 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.251 9.007 -3.866 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.697 8.786 -0.864 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.586 9.840 -1.945 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.563 6.801 -2.051 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.858 7.796 -1.414 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.856 7.891 -4.288 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.265 6.996 -3.755 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.028 9.392 -2.911 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.108 8.731 -5.809 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -20.844 10.044 -6.733 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -22.992 11.056 -4.133 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -22.461 11.348 -5.793 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.683 9.948 -2.843 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.730 11.013 -2.582 1.00 0.53 C ATOM 1566 C GLY A 103 -14.257 11.015 -1.147 1.00 0.49 C ATOM 1567 O GLY A 103 -13.548 11.923 -0.715 1.00 0.57 O ATOM 0 H GLY A 103 -15.281 9.110 -3.262 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.872 10.902 -3.246 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -15.189 11.974 -2.813 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.653 9.991 -0.410 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.314 9.875 0.998 1.00 0.44 C ATOM 1573 C GLN A 104 -13.605 8.547 1.240 1.00 0.37 C ATOM 1574 O GLN A 104 -14.193 7.485 1.035 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.591 9.928 1.842 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.633 10.912 1.322 1.00 0.66 C ATOM 1577 CD GLN A 104 -18.060 10.417 1.484 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.977 11.202 1.725 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.281 9.123 1.299 1.00 0.98 N ATOM 0 H GLN A 104 -15.216 9.220 -0.769 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.658 10.699 1.280 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.032 8.932 1.879 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.328 10.198 2.865 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -16.522 11.860 1.849 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.442 11.109 0.267 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.502 8.496 1.101 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.231 8.755 1.355 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.347 8.597 1.640 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.619 7.377 1.960 1.00 0.32 C ATOM 1590 C GLU A 105 -12.051 6.844 3.317 1.00 0.32 C ATOM 1591 O GLU A 105 -12.024 7.563 4.310 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.109 7.611 1.934 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.611 8.102 0.589 1.00 0.49 C ATOM 1594 CD GLU A 105 -9.347 9.590 0.567 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -10.307 10.371 0.749 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -8.180 9.989 0.369 1.00 1.59 O ATOM 0 H GLU A 105 -11.811 9.458 1.751 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.856 6.634 1.199 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.846 8.339 2.701 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.598 6.682 2.188 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -8.694 7.572 0.331 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.347 7.857 -0.177 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.454 5.582 3.347 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.987 4.974 4.562 1.00 0.27 C ATOM 1605 C PHE A 106 -11.979 4.041 5.211 1.00 0.26 C ATOM 1606 O PHE A 106 -12.218 3.517 6.295 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.272 4.206 4.254 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.131 3.204 3.139 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.716 1.906 3.398 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.422 3.560 1.835 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.596 0.987 2.373 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.301 2.646 0.809 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.889 1.361 1.077 1.00 0.31 C ATOM 0 H PHE A 106 -12.423 4.956 2.542 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.204 5.781 5.262 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.599 3.688 5.156 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.055 4.918 3.993 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.484 1.611 4.411 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.748 4.566 1.617 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.274 -0.022 2.585 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.530 2.939 -0.205 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.795 0.645 0.274 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.864 3.813 4.548 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.853 2.926 5.086 1.00 0.24 C ATOM 1625 C ILE A 107 -8.476 3.291 4.547 1.00 0.22 C ATOM 1626 O ILE A 107 -8.326 3.686 3.387 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.168 1.435 4.799 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.297 0.530 5.680 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -9.973 1.107 3.325 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.514 -0.951 5.437 1.00 0.37 C ATOM 0 H ILE A 107 -10.636 4.225 3.643 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.857 3.056 6.168 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.215 1.253 5.042 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.248 0.768 5.504 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.503 0.751 6.727 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.201 0.055 3.153 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.639 1.726 2.723 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -8.939 1.305 3.042 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.864 -1.527 6.096 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.554 -1.205 5.641 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.280 -1.188 4.399 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.489 3.191 5.412 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.109 3.433 5.055 1.00 0.24 C ATOM 1644 C ARG A 108 -5.253 2.321 5.645 1.00 0.24 C ATOM 1645 O ARG A 108 -5.060 2.254 6.860 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.678 4.814 5.580 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.307 5.297 5.118 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.176 4.651 5.899 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.371 4.753 7.348 1.00 0.60 N ATOM 1650 CZ ARG A 108 -2.401 5.091 8.202 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -1.217 5.481 7.742 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -2.617 5.061 9.509 1.00 0.95 N ATOM 0 H ARG A 108 -7.624 2.937 6.391 1.00 0.23 H new ATOM 0 HA ARG A 108 -5.985 3.434 3.972 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.424 5.548 5.274 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.685 4.787 6.670 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -4.185 5.077 4.057 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.250 6.380 5.228 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -3.097 3.601 5.618 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -2.233 5.125 5.627 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.298 4.555 7.725 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -1.049 5.522 6.737 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -0.476 5.739 8.394 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -3.529 4.778 9.869 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -1.872 5.320 10.155 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.791 1.425 4.791 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.923 0.339 5.223 1.00 0.22 C ATOM 1668 C VAL A 109 -2.468 0.761 5.120 1.00 0.24 C ATOM 1669 O VAL A 109 -1.927 0.859 4.026 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.139 -0.938 4.384 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.057 -1.967 4.683 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.517 -1.526 4.644 1.00 0.27 C ATOM 0 H VAL A 109 -5.001 1.426 3.793 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.176 0.115 6.259 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.075 -0.666 3.330 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.228 -2.860 4.081 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.080 -1.548 4.442 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.088 -2.231 5.740 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.648 -2.425 4.042 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.611 -1.779 5.700 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.281 -0.796 4.376 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.846 1.026 6.255 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.465 1.445 6.255 1.00 0.25 C ATOM 1684 C GLY A 110 0.481 0.340 6.674 1.00 0.21 C ATOM 1685 O GLY A 110 0.562 -0.004 7.851 1.00 0.27 O ATOM 0 H GLY A 110 -2.274 0.958 7.178 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.194 1.790 5.257 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.347 2.294 6.929 1.00 0.25 H new ATOM 1689 N TYR A 111 1.178 -0.233 5.711 1.00 0.23 N ATOM 1690 CA TYR A 111 2.231 -1.188 6.015 1.00 0.24 C ATOM 1691 C TYR A 111 3.574 -0.487 5.994 1.00 0.23 C ATOM 1692 O TYR A 111 3.930 0.160 5.008 1.00 0.27 O ATOM 1693 CB TYR A 111 2.253 -2.357 5.028 1.00 0.32 C ATOM 1694 CG TYR A 111 1.139 -3.360 5.225 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.068 -4.132 6.375 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.144 -3.514 4.269 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.038 -5.034 6.565 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.890 -4.410 4.453 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.880 -5.237 5.576 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.968 -6.059 5.787 1.00 0.40 O ATOM 0 H TYR A 111 1.037 -0.056 4.716 1.00 0.23 H new ATOM 0 HA TYR A 111 2.030 -1.594 7.006 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.195 -1.962 4.014 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.209 -2.872 5.115 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.829 -4.027 7.134 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.180 -2.923 3.366 1.00 0.30 H new ATOM 0 HE1 TYR A 111 -0.040 -5.577 7.495 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.696 -4.470 3.737 1.00 0.32 H new ATOM 0 HH TYR A 111 -2.773 -5.637 5.420 1.00 0.40 H new ATOM 1710 N TYR A 112 4.306 -0.593 7.084 1.00 0.25 N ATOM 1711 CA TYR A 112 5.633 -0.017 7.142 1.00 0.25 C ATOM 1712 C TYR A 112 6.630 -0.957 6.486 1.00 0.27 C ATOM 1713 O TYR A 112 6.914 -2.031 6.996 1.00 0.33 O ATOM 1714 CB TYR A 112 6.037 0.276 8.588 1.00 0.29 C ATOM 1715 CG TYR A 112 5.339 1.480 9.182 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.994 1.433 9.531 1.00 0.50 C ATOM 1717 CD2 TYR A 112 6.029 2.669 9.390 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.359 2.538 10.066 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.400 3.775 9.928 1.00 0.60 C ATOM 1720 CZ TYR A 112 4.065 3.706 10.263 1.00 0.64 C ATOM 1721 OH TYR A 112 3.434 4.810 10.793 1.00 0.78 O ATOM 0 H TYR A 112 4.007 -1.069 7.935 1.00 0.25 H new ATOM 0 HA TYR A 112 5.629 0.928 6.600 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.819 -0.598 9.201 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.115 0.434 8.630 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.437 0.520 9.382 1.00 0.50 H new ATOM 0 HD2 TYR A 112 7.075 2.729 9.126 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.313 2.487 10.329 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.952 4.690 10.085 1.00 0.60 H new ATOM 0 HH TYR A 112 4.074 5.548 10.867 1.00 0.78 H new ATOM 1731 N VAL A 113 7.132 -0.560 5.339 1.00 0.27 N ATOM 1732 CA VAL A 113 8.111 -1.350 4.630 1.00 0.31 C ATOM 1733 C VAL A 113 9.512 -0.831 4.919 1.00 0.28 C ATOM 1734 O VAL A 113 9.787 0.358 4.790 1.00 0.31 O ATOM 1735 CB VAL A 113 7.847 -1.358 3.106 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.621 0.051 2.576 1.00 0.96 C ATOM 1737 CG2 VAL A 113 8.997 -2.029 2.373 1.00 1.19 C ATOM 0 H VAL A 113 6.876 0.312 4.875 1.00 0.27 H new ATOM 0 HA VAL A 113 8.027 -2.377 4.984 1.00 0.31 H new ATOM 0 HB VAL A 113 6.937 -1.930 2.925 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.438 0.011 1.502 1.00 0.96 H new ATOM 0 HG12 VAL A 113 6.758 0.493 3.075 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.504 0.659 2.771 1.00 0.96 H new ATOM 0 HG21 VAL A 113 8.796 -2.027 1.302 1.00 1.19 H new ATOM 0 HG22 VAL A 113 9.921 -1.485 2.570 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.100 -3.057 2.721 1.00 1.19 H new ATOM 1747 N ASN A 114 10.382 -1.721 5.344 1.00 0.29 N ATOM 1748 CA ASN A 114 11.763 -1.360 5.603 1.00 0.32 C ATOM 1749 C ASN A 114 12.615 -1.695 4.399 1.00 0.32 C ATOM 1750 O ASN A 114 12.545 -2.805 3.871 1.00 0.35 O ATOM 1751 CB ASN A 114 12.307 -2.083 6.834 1.00 0.42 C ATOM 1752 CG ASN A 114 11.616 -1.663 8.114 1.00 0.84 C ATOM 1753 OD1 ASN A 114 10.629 -2.266 8.526 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.133 -0.628 8.753 1.00 1.28 N ATOM 0 H ASN A 114 10.160 -2.701 5.518 1.00 0.29 H new ATOM 0 HA ASN A 114 11.800 -0.288 5.795 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.190 -3.158 6.699 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.376 -1.887 6.922 1.00 0.42 H new ATOM 0 HD21 ASN A 114 11.711 -0.303 9.623 1.00 1.28 H new ATOM 0 HD22 ASN A 114 12.954 -0.155 8.377 1.00 1.28 H new ATOM 1761 N ASN A 115 13.417 -0.744 3.964 1.00 0.34 N ATOM 1762 CA ASN A 115 14.237 -0.946 2.788 1.00 0.39 C ATOM 1763 C ASN A 115 15.687 -1.144 3.192 1.00 0.43 C ATOM 1764 O ASN A 115 16.363 -0.218 3.642 1.00 0.50 O ATOM 1765 CB ASN A 115 14.104 0.224 1.808 1.00 0.48 C ATOM 1766 CG ASN A 115 12.674 0.451 1.346 1.00 0.50 C ATOM 1767 OD1 ASN A 115 11.895 -0.493 1.203 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.318 1.707 1.110 1.00 0.60 N ATOM 0 H ASN A 115 13.518 0.171 4.404 1.00 0.34 H new ATOM 0 HA ASN A 115 13.886 -1.844 2.279 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.475 1.132 2.282 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.735 0.037 0.939 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.370 1.918 0.798 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.992 2.461 1.240 1.00 0.60 H new ATOM 1775 N GLU A 116 16.144 -2.372 3.045 1.00 0.42 N ATOM 1776 CA GLU A 116 17.512 -2.741 3.359 1.00 0.50 C ATOM 1777 C GLU A 116 18.080 -3.578 2.232 1.00 0.45 C ATOM 1778 O GLU A 116 17.345 -4.296 1.565 1.00 0.54 O ATOM 1779 CB GLU A 116 17.597 -3.528 4.669 1.00 0.69 C ATOM 1780 CG GLU A 116 17.907 -2.675 5.884 1.00 1.26 C ATOM 1781 CD GLU A 116 18.863 -3.373 6.829 1.00 1.58 C ATOM 1782 OE1 GLU A 116 20.055 -3.491 6.484 1.00 1.97 O ATOM 1783 OE2 GLU A 116 18.433 -3.820 7.912 1.00 1.87 O ATOM 0 H GLU A 116 15.575 -3.146 2.703 1.00 0.42 H new ATOM 0 HA GLU A 116 18.090 -1.824 3.477 1.00 0.50 H new ATOM 0 HB2 GLU A 116 16.651 -4.044 4.832 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.366 -4.295 4.571 1.00 0.69 H new ATOM 0 HG2 GLU A 116 18.340 -1.728 5.563 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.981 -2.441 6.410 1.00 1.26 H new ATOM 1790 N TYR A 117 19.379 -3.481 2.024 1.00 0.46 N ATOM 1791 CA TYR A 117 20.032 -4.201 0.944 1.00 0.46 C ATOM 1792 C TYR A 117 19.883 -5.708 1.127 1.00 0.52 C ATOM 1793 O TYR A 117 19.737 -6.199 2.245 1.00 0.60 O ATOM 1794 CB TYR A 117 21.507 -3.815 0.879 1.00 0.48 C ATOM 1795 CG TYR A 117 21.729 -2.327 0.735 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.679 -1.719 -0.512 1.00 0.55 C ATOM 1797 CD2 TYR A 117 21.987 -1.532 1.843 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.879 -0.362 -0.651 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.188 -0.173 1.712 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.141 0.409 0.479 1.00 0.60 C ATOM 1801 OH TYR A 117 22.335 1.763 0.324 1.00 0.69 O ATOM 0 H TYR A 117 20.006 -2.909 2.590 1.00 0.46 H new ATOM 0 HA TYR A 117 19.552 -3.927 0.005 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.007 -4.164 1.782 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.973 -4.328 0.038 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.480 -2.319 -1.388 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.031 -1.984 2.823 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.833 0.099 -1.627 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.383 0.430 2.586 1.00 0.59 H new ATOM 0 HH TYR A 117 22.507 2.171 1.198 1.00 0.69 H new ATOM 1811 N THR A 118 19.931 -6.435 0.025 1.00 0.54 N ATOM 1812 CA THR A 118 19.735 -7.877 0.052 1.00 0.65 C ATOM 1813 C THR A 118 21.037 -8.558 0.419 1.00 0.74 C ATOM 1814 O THR A 118 21.058 -9.681 0.924 1.00 0.84 O ATOM 1815 CB THR A 118 19.259 -8.410 -1.313 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.145 -7.968 -2.346 1.00 0.66 O ATOM 1817 CG2 THR A 118 17.846 -7.946 -1.624 1.00 0.77 C ATOM 0 H THR A 118 20.105 -6.051 -0.904 1.00 0.54 H new ATOM 0 HA THR A 118 18.967 -8.096 0.794 1.00 0.65 H new ATOM 0 HB THR A 118 19.261 -9.499 -1.267 1.00 0.67 H new ATOM 0 HG1 THR A 118 19.837 -8.312 -3.210 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.539 -8.339 -2.593 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.166 -8.309 -0.854 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.818 -6.857 -1.648 1.00 0.77 H new ATOM 1825 N GLU A 119 22.120 -7.847 0.160 1.00 0.78 N ATOM 1826 CA GLU A 119 23.450 -8.346 0.426 1.00 0.92 C ATOM 1827 C GLU A 119 23.965 -7.780 1.738 1.00 0.95 C ATOM 1828 O GLU A 119 23.940 -6.564 1.957 1.00 0.90 O ATOM 1829 CB GLU A 119 24.374 -7.982 -0.731 1.00 1.00 C ATOM 1830 CG GLU A 119 23.960 -8.637 -2.038 1.00 1.29 C ATOM 1831 CD GLU A 119 24.699 -8.090 -3.237 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.941 -7.977 -3.181 1.00 1.67 O ATOM 1833 OE2 GLU A 119 24.045 -7.794 -4.255 1.00 2.24 O ATOM 0 H GLU A 119 22.098 -6.909 -0.240 1.00 0.78 H new ATOM 0 HA GLU A 119 23.422 -9.432 0.516 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.382 -6.899 -0.858 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.393 -8.282 -0.486 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.135 -9.711 -1.970 1.00 1.29 H new ATOM 0 HG3 GLU A 119 22.889 -8.497 -2.184 1.00 1.29 H new ATOM 1840 N THR A 120 24.420 -8.671 2.608 1.00 1.07 N ATOM 1841 CA THR A 120 24.870 -8.299 3.941 1.00 1.14 C ATOM 1842 C THR A 120 25.961 -7.234 3.883 1.00 1.12 C ATOM 1843 O THR A 120 25.951 -6.291 4.666 1.00 1.13 O ATOM 1844 CB THR A 120 25.391 -9.536 4.694 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.423 -10.590 4.601 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.661 -9.217 6.159 1.00 1.41 C ATOM 0 H THR A 120 24.487 -9.669 2.410 1.00 1.07 H new ATOM 0 HA THR A 120 24.015 -7.884 4.475 1.00 1.14 H new ATOM 0 HB THR A 120 26.330 -9.848 4.237 1.00 1.31 H new ATOM 0 HG1 THR A 120 24.753 -11.380 5.078 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.028 -10.110 6.664 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.410 -8.428 6.228 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.739 -8.884 6.635 1.00 1.41 H new ATOM 1854 N GLU A 121 26.871 -7.375 2.927 1.00 1.13 N ATOM 1855 CA GLU A 121 27.992 -6.451 2.773 1.00 1.14 C ATOM 1856 C GLU A 121 27.494 -5.021 2.552 1.00 1.03 C ATOM 1857 O GLU A 121 28.067 -4.064 3.077 1.00 1.09 O ATOM 1858 CB GLU A 121 28.867 -6.914 1.603 1.00 1.18 C ATOM 1859 CG GLU A 121 30.321 -6.473 1.670 1.00 1.27 C ATOM 1860 CD GLU A 121 30.558 -5.079 1.133 1.00 1.56 C ATOM 1861 OE1 GLU A 121 30.444 -4.886 -0.096 1.00 2.21 O ATOM 1862 OE2 GLU A 121 30.881 -4.174 1.924 1.00 2.05 O ATOM 0 H GLU A 121 26.855 -8.128 2.239 1.00 1.13 H new ATOM 0 HA GLU A 121 28.586 -6.451 3.687 1.00 1.14 H new ATOM 0 HB2 GLU A 121 28.836 -8.002 1.555 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.433 -6.541 0.675 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.657 -6.516 2.706 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.932 -7.179 1.107 1.00 1.27 H new ATOM 1869 N LEU A 122 26.397 -4.875 1.814 1.00 0.90 N ATOM 1870 CA LEU A 122 25.864 -3.558 1.519 1.00 0.82 C ATOM 1871 C LEU A 122 25.137 -2.998 2.736 1.00 0.82 C ATOM 1872 O LEU A 122 24.991 -1.786 2.888 1.00 0.83 O ATOM 1873 CB LEU A 122 24.918 -3.637 0.325 1.00 0.75 C ATOM 1874 CG LEU A 122 25.551 -4.147 -0.968 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.487 -4.375 -2.024 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.596 -3.163 -1.470 1.00 0.87 C ATOM 0 H LEU A 122 25.867 -5.649 1.414 1.00 0.90 H new ATOM 0 HA LEU A 122 26.688 -2.889 1.272 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.083 -4.288 0.585 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.504 -2.645 0.143 1.00 0.75 H new ATOM 0 HG LEU A 122 26.042 -5.098 -0.762 1.00 0.82 H new ATOM 0 HD11 LEU A 122 24.955 -4.738 -2.939 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.770 -5.114 -1.665 1.00 0.88 H new ATOM 0 HD13 LEU A 122 23.970 -3.437 -2.228 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.038 -3.541 -2.392 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.125 -2.199 -1.662 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.375 -3.043 -0.717 1.00 0.87 H new ATOM 1888 N ARG A 123 24.677 -3.898 3.592 1.00 0.86 N ATOM 1889 CA ARG A 123 23.999 -3.513 4.824 1.00 0.94 C ATOM 1890 C ARG A 123 25.013 -3.130 5.893 1.00 1.11 C ATOM 1891 O ARG A 123 24.737 -2.298 6.757 1.00 1.19 O ATOM 1892 CB ARG A 123 23.132 -4.662 5.329 1.00 0.98 C ATOM 1893 CG ARG A 123 22.232 -5.243 4.260 1.00 0.89 C ATOM 1894 CD ARG A 123 21.471 -6.456 4.763 1.00 1.00 C ATOM 1895 NE ARG A 123 20.477 -6.108 5.776 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.660 -6.990 6.342 1.00 1.56 C ATOM 1897 NH1 ARG A 123 19.724 -8.274 5.994 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.774 -6.588 7.244 1.00 2.03 N ATOM 0 H ARG A 123 24.761 -4.905 3.456 1.00 0.86 H new ATOM 0 HA ARG A 123 23.366 -2.651 4.612 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.776 -5.450 5.721 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.519 -4.309 6.159 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.525 -4.483 3.927 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.831 -5.523 3.393 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.975 -6.944 3.924 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.175 -7.176 5.180 1.00 1.00 H new ATOM 0 HE ARG A 123 20.406 -5.132 6.065 1.00 1.20 H new ATOM 0 HH11 ARG A 123 20.400 -8.580 5.294 1.00 1.82 H new ATOM 0 HH12 ARG A 123 19.097 -8.952 6.428 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.720 -5.603 7.502 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.146 -7.264 7.679 1.00 2.03 H new ATOM 1912 N GLU A 124 26.183 -3.752 5.827 1.00 1.20 N ATOM 1913 CA GLU A 124 27.262 -3.468 6.761 1.00 1.39 C ATOM 1914 C GLU A 124 27.761 -2.044 6.576 1.00 1.37 C ATOM 1915 O GLU A 124 27.930 -1.304 7.546 1.00 1.49 O ATOM 1916 CB GLU A 124 28.415 -4.457 6.571 1.00 1.53 C ATOM 1917 CG GLU A 124 28.025 -5.909 6.800 1.00 1.66 C ATOM 1918 CD GLU A 124 27.682 -6.219 8.245 1.00 2.03 C ATOM 1919 OE1 GLU A 124 26.649 -5.724 8.741 1.00 2.06 O ATOM 1920 OE2 GLU A 124 28.446 -6.967 8.889 1.00 2.84 O ATOM 0 H GLU A 124 26.409 -4.462 5.130 1.00 1.20 H new ATOM 0 HA GLU A 124 26.874 -3.577 7.774 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.808 -4.352 5.560 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.222 -4.195 7.256 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.169 -6.151 6.171 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.846 -6.552 6.483 1.00 1.66 H new ATOM 1927 N ASN A 125 27.977 -1.652 5.327 1.00 1.27 N ATOM 1928 CA ASN A 125 28.445 -0.308 5.036 1.00 1.30 C ATOM 1929 C ASN A 125 27.658 0.300 3.879 1.00 1.14 C ATOM 1930 O ASN A 125 28.055 0.209 2.718 1.00 1.10 O ATOM 1931 CB ASN A 125 29.957 -0.294 4.754 1.00 1.45 C ATOM 1932 CG ASN A 125 30.378 -1.278 3.678 1.00 1.58 C ATOM 1933 OD1 ASN A 125 30.466 -0.935 2.500 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.651 -2.509 4.076 1.00 1.62 N ATOM 0 H ASN A 125 27.836 -2.242 4.507 1.00 1.27 H new ATOM 0 HA ASN A 125 28.272 0.308 5.918 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.254 0.711 4.453 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.493 -0.523 5.675 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.946 -3.211 3.397 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.567 -2.757 5.062 1.00 1.62 H new ATOM 1941 N PRO A 126 26.488 0.884 4.187 1.00 1.13 N ATOM 1942 CA PRO A 126 25.676 1.598 3.201 1.00 1.06 C ATOM 1943 C PRO A 126 26.479 2.671 2.476 1.00 1.09 C ATOM 1944 O PRO A 126 26.998 3.601 3.099 1.00 1.19 O ATOM 1945 CB PRO A 126 24.565 2.233 4.041 1.00 1.15 C ATOM 1946 CG PRO A 126 24.457 1.362 5.242 1.00 1.23 C ATOM 1947 CD PRO A 126 25.848 0.863 5.516 1.00 1.24 C ATOM 0 HA PRO A 126 25.303 0.937 2.419 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.813 3.258 4.316 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.624 2.269 3.492 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.067 1.919 6.094 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.773 0.533 5.063 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.372 1.504 6.224 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.838 -0.141 5.941 1.00 1.24 H new ATOM 1955 N PRO A 127 26.605 2.535 1.149 1.00 1.05 N ATOM 1956 CA PRO A 127 27.357 3.475 0.307 1.00 1.13 C ATOM 1957 C PRO A 127 26.752 4.878 0.334 1.00 1.19 C ATOM 1958 O PRO A 127 25.618 5.056 0.784 1.00 1.14 O ATOM 1959 CB PRO A 127 27.260 2.856 -1.095 1.00 1.11 C ATOM 1960 CG PRO A 127 26.910 1.426 -0.852 1.00 1.01 C ATOM 1961 CD PRO A 127 26.026 1.442 0.353 1.00 0.97 C ATOM 0 HA PRO A 127 28.384 3.607 0.648 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.499 3.354 -1.696 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.203 2.947 -1.635 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.397 0.994 -1.711 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.803 0.825 -0.678 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.986 1.635 0.092 1.00 0.97 H new ATOM 0 HD3 PRO A 127 26.049 0.492 0.888 1.00 0.97 H new ATOM 1969 N VAL A 128 27.518 5.869 -0.134 1.00 1.34 N ATOM 1970 CA VAL A 128 27.103 7.275 -0.075 1.00 1.44 C ATOM 1971 C VAL A 128 25.694 7.470 -0.643 1.00 1.22 C ATOM 1972 O VAL A 128 24.897 8.245 -0.110 1.00 1.28 O ATOM 1973 CB VAL A 128 28.109 8.198 -0.815 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.208 7.847 -2.294 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.737 9.663 -0.632 1.00 2.16 C ATOM 0 H VAL A 128 28.433 5.722 -0.560 1.00 1.34 H new ATOM 0 HA VAL A 128 27.090 7.556 0.978 1.00 1.44 H new ATOM 0 HB VAL A 128 29.091 8.035 -0.371 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.921 8.514 -2.779 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.544 6.816 -2.401 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.230 7.960 -2.761 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.456 10.290 -1.159 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.739 9.838 -1.035 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.749 9.912 0.429 1.00 2.16 H new ATOM 1985 N LYS A 129 25.387 6.751 -1.712 1.00 1.07 N ATOM 1986 CA LYS A 129 24.056 6.767 -2.285 1.00 0.88 C ATOM 1987 C LYS A 129 23.477 5.360 -2.253 1.00 0.76 C ATOM 1988 O LYS A 129 24.146 4.401 -2.641 1.00 0.80 O ATOM 1989 CB LYS A 129 24.085 7.299 -3.722 1.00 1.00 C ATOM 1990 CG LYS A 129 24.654 8.704 -3.843 1.00 1.12 C ATOM 1991 CD LYS A 129 23.897 9.696 -2.973 1.00 1.29 C ATOM 1992 CE LYS A 129 24.484 11.095 -3.080 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.216 11.715 -4.404 1.00 1.96 N ATOM 0 H LYS A 129 26.048 6.147 -2.200 1.00 1.07 H new ATOM 0 HA LYS A 129 23.426 7.433 -1.695 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.677 6.623 -4.338 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.072 7.291 -4.123 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.705 8.697 -3.555 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.610 9.026 -4.884 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.849 9.717 -3.271 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.927 9.367 -1.934 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.065 11.724 -2.294 1.00 1.46 H new ATOM 0 HE3 LYS A 129 25.560 11.050 -2.913 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 24.559 12.697 -4.403 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 24.708 11.177 -5.145 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.193 11.706 -4.591 1.00 1.96 H new ATOM 2007 N PRO A 130 22.240 5.219 -1.762 1.00 0.66 N ATOM 2008 CA PRO A 130 21.566 3.922 -1.665 1.00 0.57 C ATOM 2009 C PRO A 130 21.365 3.263 -3.021 1.00 0.52 C ATOM 2010 O PRO A 130 21.449 3.916 -4.066 1.00 0.64 O ATOM 2011 CB PRO A 130 20.211 4.259 -1.041 1.00 0.55 C ATOM 2012 CG PRO A 130 20.025 5.713 -1.294 1.00 0.64 C ATOM 2013 CD PRO A 130 21.399 6.308 -1.250 1.00 0.71 C ATOM 0 HA PRO A 130 22.155 3.212 -1.085 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.411 3.674 -1.494 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.202 4.039 0.027 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.554 5.885 -2.262 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.379 6.163 -0.540 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.473 7.202 -1.869 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.683 6.597 -0.238 1.00 0.71 H new ATOM 2021 N ASP A 131 21.078 1.976 -2.999 1.00 0.45 N ATOM 2022 CA ASP A 131 20.934 1.213 -4.227 1.00 0.45 C ATOM 2023 C ASP A 131 19.591 0.503 -4.238 1.00 0.39 C ATOM 2024 O ASP A 131 19.325 -0.353 -3.396 1.00 0.39 O ATOM 2025 CB ASP A 131 22.071 0.198 -4.366 1.00 0.53 C ATOM 2026 CG ASP A 131 22.200 -0.340 -5.778 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.180 -0.732 -6.371 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.330 -0.361 -6.304 1.00 1.06 O ATOM 0 H ASP A 131 20.940 1.435 -2.145 1.00 0.45 H new ATOM 0 HA ASP A 131 20.982 1.899 -5.073 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.010 0.667 -4.072 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.900 -0.631 -3.679 1.00 0.53 H new ATOM 2033 N PHE A 132 18.744 0.875 -5.186 1.00 0.38 N ATOM 2034 CA PHE A 132 17.396 0.334 -5.274 1.00 0.35 C ATOM 2035 C PHE A 132 17.415 -1.051 -5.906 1.00 0.37 C ATOM 2036 O PHE A 132 16.550 -1.882 -5.632 1.00 0.38 O ATOM 2037 CB PHE A 132 16.501 1.282 -6.078 1.00 0.38 C ATOM 2038 CG PHE A 132 16.368 2.643 -5.453 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.359 3.597 -5.626 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.262 2.965 -4.685 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.249 4.844 -5.048 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.148 4.214 -4.102 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.143 5.153 -4.285 1.00 0.46 C ATOM 0 H PHE A 132 18.969 1.556 -5.911 1.00 0.38 H new ATOM 0 HA PHE A 132 16.990 0.241 -4.267 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.907 1.389 -7.084 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.511 0.838 -6.180 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.229 3.360 -6.221 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.481 2.234 -4.540 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.028 5.578 -5.193 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.281 4.454 -3.504 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.055 6.129 -3.831 1.00 0.46 H new ATOM 2053 N SER A 133 18.422 -1.294 -6.734 1.00 0.42 N ATOM 2054 CA SER A 133 18.594 -2.580 -7.395 1.00 0.47 C ATOM 2055 C SER A 133 19.193 -3.599 -6.430 1.00 0.48 C ATOM 2056 O SER A 133 19.321 -4.783 -6.745 1.00 0.62 O ATOM 2057 CB SER A 133 19.503 -2.419 -8.616 1.00 0.54 C ATOM 2058 OG SER A 133 19.039 -1.386 -9.471 1.00 1.46 O ATOM 0 H SER A 133 19.140 -0.608 -6.966 1.00 0.42 H new ATOM 0 HA SER A 133 17.618 -2.940 -7.720 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.518 -2.195 -8.289 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.545 -3.359 -9.167 1.00 0.54 H new ATOM 0 HG SER A 133 18.063 -1.324 -9.409 1.00 1.46 H new ATOM 2064 N LYS A 134 19.561 -3.123 -5.251 1.00 0.40 N ATOM 2065 CA LYS A 134 20.122 -3.975 -4.221 1.00 0.43 C ATOM 2066 C LYS A 134 19.235 -3.926 -2.999 1.00 0.39 C ATOM 2067 O LYS A 134 19.545 -4.507 -1.963 1.00 0.46 O ATOM 2068 CB LYS A 134 21.527 -3.508 -3.842 1.00 0.48 C ATOM 2069 CG LYS A 134 22.551 -3.643 -4.956 1.00 0.65 C ATOM 2070 CD LYS A 134 22.764 -5.094 -5.345 1.00 0.78 C ATOM 2071 CE LYS A 134 23.923 -5.245 -6.314 1.00 1.00 C ATOM 2072 NZ LYS A 134 24.181 -6.669 -6.645 1.00 1.87 N ATOM 0 H LYS A 134 19.479 -2.142 -4.985 1.00 0.40 H new ATOM 0 HA LYS A 134 20.182 -4.994 -4.602 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.479 -2.464 -3.532 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.868 -4.081 -2.980 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.219 -3.077 -5.827 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.498 -3.209 -4.635 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.956 -5.687 -4.451 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.855 -5.487 -5.799 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.707 -4.692 -7.228 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.820 -4.804 -5.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 24.945 -6.729 -7.348 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.461 -7.180 -5.784 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 23.317 -7.097 -7.036 1.00 1.87 H new ATOM 2086 N LEU A 135 18.125 -3.226 -3.140 1.00 0.41 N ATOM 2087 CA LEU A 135 17.259 -2.941 -2.020 1.00 0.40 C ATOM 2088 C LEU A 135 16.144 -3.966 -1.938 1.00 0.41 C ATOM 2089 O LEU A 135 15.543 -4.329 -2.948 1.00 0.46 O ATOM 2090 CB LEU A 135 16.685 -1.533 -2.166 1.00 0.41 C ATOM 2091 CG LEU A 135 16.375 -0.812 -0.867 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.625 -0.730 0.000 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.841 0.579 -1.169 1.00 0.74 C ATOM 0 H LEU A 135 17.803 -2.843 -4.029 1.00 0.41 H new ATOM 0 HA LEU A 135 17.836 -2.996 -1.097 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.392 -0.929 -2.736 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.770 -1.593 -2.755 1.00 0.41 H new ATOM 0 HG LEU A 135 15.615 -1.369 -0.319 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.390 -0.211 0.929 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.978 -1.736 0.226 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.403 -0.184 -0.534 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.619 1.094 -0.235 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.589 1.143 -1.726 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.931 0.498 -1.764 1.00 0.74 H new ATOM 2105 N GLN A 136 15.896 -4.441 -0.738 1.00 0.40 N ATOM 2106 CA GLN A 136 14.845 -5.404 -0.481 1.00 0.41 C ATOM 2107 C GLN A 136 13.751 -4.748 0.336 1.00 0.38 C ATOM 2108 O GLN A 136 14.026 -4.163 1.384 1.00 0.44 O ATOM 2109 CB GLN A 136 15.406 -6.586 0.301 1.00 0.46 C ATOM 2110 CG GLN A 136 14.468 -7.774 0.359 1.00 0.58 C ATOM 2111 CD GLN A 136 14.794 -8.722 1.493 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.584 -9.927 1.387 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.289 -8.180 2.595 1.00 0.72 N ATOM 0 H GLN A 136 16.421 -4.169 0.093 1.00 0.40 H new ATOM 0 HA GLN A 136 14.442 -5.754 -1.431 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.347 -6.898 -0.153 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.634 -6.264 1.317 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.444 -7.418 0.472 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.515 -8.315 -0.586 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.448 -7.174 2.641 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.511 -8.769 3.398 1.00 0.72 H new ATOM 2122 N ARG A 137 12.520 -4.836 -0.132 1.00 0.36 N ATOM 2123 CA ARG A 137 11.419 -4.305 0.637 1.00 0.35 C ATOM 2124 C ARG A 137 10.949 -5.341 1.656 1.00 0.35 C ATOM 2125 O ARG A 137 10.447 -6.418 1.307 1.00 0.39 O ATOM 2126 CB ARG A 137 10.275 -3.766 -0.263 1.00 0.43 C ATOM 2127 CG ARG A 137 9.778 -4.676 -1.385 1.00 1.02 C ATOM 2128 CD ARG A 137 8.794 -5.713 -0.876 1.00 1.29 C ATOM 2129 NE ARG A 137 7.847 -6.159 -1.902 1.00 1.00 N ATOM 2130 CZ ARG A 137 7.019 -7.194 -1.744 1.00 1.85 C ATOM 2131 NH1 ARG A 137 6.999 -7.854 -0.596 1.00 2.82 N ATOM 2132 NH2 ARG A 137 6.207 -7.566 -2.727 1.00 2.05 N ATOM 0 H ARG A 137 12.264 -5.262 -1.023 1.00 0.36 H new ATOM 0 HA ARG A 137 11.771 -3.435 1.191 1.00 0.35 H new ATOM 0 HB2 ARG A 137 9.426 -3.526 0.378 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.611 -2.831 -0.711 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.303 -4.073 -2.158 1.00 1.02 H new ATOM 0 HG3 ARG A 137 10.627 -5.178 -1.849 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.345 -6.575 -0.500 1.00 1.29 H new ATOM 0 HD3 ARG A 137 8.240 -5.297 -0.035 1.00 1.29 H new ATOM 0 HE ARG A 137 7.819 -5.650 -2.786 1.00 1.00 H new ATOM 0 HH11 ARG A 137 7.616 -7.571 0.166 1.00 2.82 H new ATOM 0 HH12 ARG A 137 6.367 -8.645 -0.473 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.213 -7.059 -3.612 1.00 2.05 H new ATOM 0 HH22 ARG A 137 5.578 -8.358 -2.597 1.00 2.05 H new ATOM 2146 N ASN A 138 11.209 -5.030 2.922 1.00 0.35 N ATOM 2147 CA ASN A 138 10.754 -5.848 4.035 1.00 0.39 C ATOM 2148 C ASN A 138 9.498 -5.234 4.620 1.00 0.39 C ATOM 2149 O ASN A 138 9.549 -4.348 5.471 1.00 0.49 O ATOM 2150 CB ASN A 138 11.840 -5.979 5.114 1.00 0.45 C ATOM 2151 CG ASN A 138 11.380 -6.792 6.316 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.479 -8.018 6.328 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.884 -6.115 7.342 1.00 0.67 N ATOM 0 H ASN A 138 11.740 -4.205 3.202 1.00 0.35 H new ATOM 0 HA ASN A 138 10.537 -6.851 3.668 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.723 -6.448 4.680 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.138 -4.985 5.446 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.570 -6.611 8.176 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.817 -5.098 7.297 1.00 0.67 H new ATOM 2160 N ILE A 139 8.378 -5.687 4.115 1.00 0.37 N ATOM 2161 CA ILE A 139 7.089 -5.149 4.476 1.00 0.36 C ATOM 2162 C ILE A 139 6.655 -5.670 5.835 1.00 0.37 C ATOM 2163 O ILE A 139 6.545 -6.875 6.041 1.00 0.46 O ATOM 2164 CB ILE A 139 6.070 -5.537 3.390 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.553 -4.988 2.050 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.674 -5.035 3.714 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.653 -5.321 0.885 1.00 0.48 C ATOM 0 H ILE A 139 8.334 -6.446 3.436 1.00 0.37 H new ATOM 0 HA ILE A 139 7.150 -4.063 4.545 1.00 0.36 H new ATOM 0 HB ILE A 139 6.002 -6.624 3.342 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.645 -3.905 2.126 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.550 -5.379 1.848 1.00 0.42 H new ATOM 0 HG21 ILE A 139 3.988 -5.331 2.921 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.343 -5.465 4.660 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.688 -3.948 3.794 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.067 -4.894 -0.028 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.580 -6.403 0.779 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.661 -4.906 1.062 1.00 0.48 H new ATOM 2179 N LEU A 140 6.432 -4.765 6.766 1.00 0.35 N ATOM 2180 CA LEU A 140 6.028 -5.159 8.101 1.00 0.39 C ATOM 2181 C LEU A 140 4.556 -5.519 8.119 1.00 0.36 C ATOM 2182 O LEU A 140 3.702 -4.690 8.424 1.00 0.37 O ATOM 2183 CB LEU A 140 6.316 -4.060 9.126 1.00 0.47 C ATOM 2184 CG LEU A 140 7.796 -3.772 9.375 1.00 0.54 C ATOM 2185 CD1 LEU A 140 7.951 -2.603 10.335 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.499 -5.010 9.918 1.00 0.99 C ATOM 0 H LEU A 140 6.523 -3.759 6.625 1.00 0.35 H new ATOM 0 HA LEU A 140 6.615 -6.034 8.379 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.835 -3.140 8.793 1.00 0.47 H new ATOM 0 HB3 LEU A 140 5.852 -4.338 10.073 1.00 0.47 H new ATOM 0 HG LEU A 140 8.262 -3.505 8.426 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.010 -2.409 10.504 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.483 -1.716 9.907 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.471 -2.845 11.283 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.552 -4.785 10.089 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.035 -5.309 10.858 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.414 -5.823 9.196 1.00 0.99 H new ATOM 2198 N ALA A 141 4.262 -6.757 7.757 1.00 0.39 N ATOM 2199 CA ALA A 141 2.910 -7.274 7.846 1.00 0.42 C ATOM 2200 C ALA A 141 2.598 -7.577 9.301 1.00 0.49 C ATOM 2201 O ALA A 141 1.442 -7.742 9.693 1.00 0.55 O ATOM 2202 CB ALA A 141 2.750 -8.512 6.978 1.00 0.48 C ATOM 0 H ALA A 141 4.946 -7.423 7.398 1.00 0.39 H new ATOM 0 HA ALA A 141 2.205 -6.529 7.477 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.729 -8.884 7.059 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.962 -8.258 5.939 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.444 -9.283 7.312 1.00 0.48 H new ATOM 2208 N SER A 142 3.659 -7.650 10.094 1.00 0.52 N ATOM 2209 CA SER A 142 3.548 -7.783 11.535 1.00 0.62 C ATOM 2210 C SER A 142 3.162 -6.444 12.159 1.00 0.61 C ATOM 2211 O SER A 142 2.806 -6.373 13.333 1.00 0.70 O ATOM 2212 CB SER A 142 4.880 -8.253 12.110 1.00 0.72 C ATOM 2213 OG SER A 142 5.374 -9.374 11.395 1.00 1.42 O ATOM 0 H SER A 142 4.620 -7.618 9.753 1.00 0.52 H new ATOM 0 HA SER A 142 2.775 -8.516 11.765 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.606 -7.441 12.067 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.755 -8.514 13.161 1.00 0.72 H new ATOM 0 HG SER A 142 6.230 -9.657 11.780 1.00 1.42 H new ATOM 2219 N ASN A 143 3.241 -5.383 11.363 1.00 0.56 N ATOM 2220 CA ASN A 143 2.882 -4.048 11.819 1.00 0.60 C ATOM 2221 C ASN A 143 1.881 -3.429 10.844 1.00 0.49 C ATOM 2222 O ASN A 143 2.251 -2.643 9.970 1.00 0.49 O ATOM 2223 CB ASN A 143 4.132 -3.164 11.933 1.00 0.74 C ATOM 2224 CG ASN A 143 3.871 -1.828 12.614 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.767 -1.286 12.576 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.901 -1.283 13.245 1.00 1.91 N ATOM 0 H ASN A 143 3.553 -5.424 10.393 1.00 0.56 H new ATOM 0 HA ASN A 143 2.425 -4.120 12.806 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.899 -3.703 12.490 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.531 -2.982 10.935 1.00 0.74 H new ATOM 0 HD21 ASN A 143 4.792 -0.386 13.719 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.802 -1.760 13.257 1.00 1.91 H new ATOM 2233 N PRO A 144 0.604 -3.816 10.950 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.439 -3.339 10.068 1.00 0.43 C ATOM 2235 C PRO A 144 -1.171 -2.126 10.630 1.00 0.39 C ATOM 2236 O PRO A 144 -1.965 -2.241 11.567 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.383 -4.545 9.980 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.066 -5.417 11.166 1.00 0.66 C ATOM 2239 CD PRO A 144 0.062 -4.761 11.925 1.00 0.60 C ATOM 0 HA PRO A 144 -0.048 -3.005 9.107 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.425 -4.225 10.000 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.234 -5.088 9.047 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.943 -5.529 11.804 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.778 -6.417 10.841 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.295 -4.256 12.822 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.810 -5.487 12.244 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.900 -0.962 10.067 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.613 0.241 10.457 1.00 0.33 C ATOM 2249 C ARG A 145 -2.961 0.303 9.762 1.00 0.30 C ATOM 2250 O ARG A 145 -3.114 0.948 8.725 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.797 1.496 10.153 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.016 2.017 11.347 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.950 2.447 12.465 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.232 2.954 13.631 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.792 3.703 14.578 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -2.067 4.067 14.468 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -0.081 4.100 15.629 1.00 3.15 N ATOM 0 H ARG A 145 -0.196 -0.824 9.342 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.773 0.202 11.535 1.00 0.33 H new ATOM 0 HB2 ARG A 145 -0.102 1.280 9.341 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -1.468 2.279 9.799 1.00 0.41 H new ATOM 0 HG2 ARG A 145 0.659 1.242 11.710 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.603 2.861 11.041 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.624 3.219 12.094 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.568 1.600 12.763 1.00 1.21 H new ATOM 0 HE ARG A 145 0.756 2.721 13.725 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.614 3.772 13.659 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -2.498 4.641 15.193 1.00 3.00 H new ATOM 0 HH21 ARG A 145 0.899 3.831 15.713 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -0.516 4.674 16.351 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.928 -0.407 10.316 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.272 -0.389 9.778 1.00 0.39 C ATOM 2273 C VAL A 146 -6.048 0.759 10.400 1.00 0.40 C ATOM 2274 O VAL A 146 -6.467 0.693 11.557 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.011 -1.719 10.040 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.401 -1.696 9.420 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.202 -2.893 9.508 1.00 1.11 C ATOM 0 H VAL A 146 -3.806 -1.001 11.136 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.202 -0.255 8.699 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.124 -1.841 11.117 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.903 -2.643 9.617 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.980 -0.881 9.855 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.317 -1.547 8.343 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.738 -3.822 9.702 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.054 -2.776 8.434 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.233 -2.923 10.006 1.00 1.11 H new ATOM 2287 N THR A 147 -6.211 1.822 9.640 1.00 0.40 N ATOM 2288 CA THR A 147 -6.940 2.976 10.106 1.00 0.42 C ATOM 2289 C THR A 147 -8.126 3.222 9.206 1.00 0.35 C ATOM 2290 O THR A 147 -7.969 3.642 8.063 1.00 0.33 O ATOM 2291 CB THR A 147 -6.053 4.235 10.122 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.768 3.929 10.682 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.704 5.348 10.929 1.00 0.52 C ATOM 0 H THR A 147 -5.845 1.908 8.692 1.00 0.40 H new ATOM 0 HA THR A 147 -7.271 2.774 11.125 1.00 0.42 H new ATOM 0 HB THR A 147 -5.931 4.573 9.093 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.548 4.587 11.374 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.058 6.226 10.925 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.666 5.604 10.486 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.855 5.013 11.955 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.310 2.942 9.707 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.502 3.187 8.935 1.00 0.34 C ATOM 2303 C ARG A 148 -11.132 4.495 9.377 1.00 0.37 C ATOM 2304 O ARG A 148 -11.039 4.885 10.543 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.500 2.029 9.048 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.123 1.875 10.423 1.00 0.57 C ATOM 2307 CD ARG A 148 -13.187 0.791 10.425 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.968 0.796 11.658 1.00 1.48 N ATOM 2309 CZ ARG A 148 -15.116 0.139 11.819 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -15.604 -0.619 10.846 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.776 0.238 12.964 1.00 3.00 N ATOM 0 H ARG A 148 -9.469 2.549 10.635 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.223 3.261 7.884 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.294 2.176 8.316 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.993 1.101 8.785 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.349 1.630 11.151 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.564 2.822 10.734 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.852 0.934 9.574 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.713 -0.183 10.299 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.612 1.337 12.446 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -15.100 -0.703 9.964 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -16.484 -1.117 10.980 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -15.405 0.816 13.718 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -16.655 -0.263 13.091 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.749 5.167 8.435 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.335 6.468 8.667 1.00 0.36 C ATOM 2327 C PHE A 149 -13.852 6.369 8.618 1.00 0.38 C ATOM 2328 O PHE A 149 -14.411 5.679 7.762 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.842 7.451 7.604 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.351 7.436 7.403 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.524 8.172 8.236 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.776 6.686 6.390 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.159 8.160 8.065 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.406 6.671 6.217 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.603 7.408 7.010 1.00 0.40 C ATOM 0 H PHE A 149 -11.860 4.826 7.480 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.036 6.826 9.652 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.329 7.220 6.656 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.151 8.458 7.884 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.957 8.763 9.030 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.405 6.108 5.729 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.520 8.720 8.732 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.973 6.062 5.437 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.537 7.422 6.838 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.518 7.040 9.540 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.969 7.083 9.538 1.00 0.51 C ATOM 2347 C HIS A 150 -16.441 8.098 8.509 1.00 0.52 C ATOM 2348 O HIS A 150 -16.271 9.303 8.684 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.501 7.427 10.932 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.409 6.287 11.905 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -15.269 5.981 12.622 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -17.331 5.367 12.268 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -15.499 4.922 13.379 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -16.742 4.531 13.182 1.00 2.73 N ATOM 0 H HIS A 150 -14.079 7.562 10.298 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.358 6.101 9.270 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -15.943 8.277 11.326 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.542 7.740 10.848 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.346 5.302 11.905 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -14.789 4.456 14.046 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -17.193 3.736 13.635 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.028 7.604 7.431 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.400 8.442 6.311 1.00 0.50 C ATOM 2365 C ILE A 151 -18.869 8.266 5.987 1.00 0.49 C ATOM 2366 O ILE A 151 -19.612 7.624 6.723 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.578 8.126 5.040 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.868 6.704 4.549 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.091 8.307 5.310 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.517 6.481 3.095 1.00 0.64 C ATOM 0 H ILE A 151 -17.257 6.617 7.311 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.193 9.469 6.610 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.873 8.824 4.257 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.309 5.996 5.161 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.926 6.487 4.696 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.527 8.081 4.405 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.898 9.337 5.610 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.782 7.633 6.109 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.749 5.453 2.818 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.095 7.164 2.472 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.453 6.666 2.945 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.273 8.853 4.892 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.641 8.771 4.440 1.00 0.51 C ATOM 2384 C ASN A 152 -20.748 7.845 3.229 1.00 0.49 C ATOM 2385 O ASN A 152 -20.597 8.266 2.084 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.116 10.187 4.136 1.00 0.62 C ATOM 2387 CG ASN A 152 -22.413 10.257 3.370 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -23.500 10.181 3.940 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -22.291 10.444 2.068 1.00 1.33 N ATOM 0 H ASN A 152 -18.664 9.403 4.286 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.283 8.341 5.209 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -21.233 10.728 5.075 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -20.343 10.702 3.566 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -23.123 10.533 1.485 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.364 10.500 1.645 1.00 1.33 H new ATOM 2396 N TRP A 153 -20.964 6.565 3.495 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.068 5.565 2.439 1.00 0.59 C ATOM 2398 C TRP A 153 -22.315 5.821 1.619 1.00 0.72 C ATOM 2399 O TRP A 153 -22.291 5.854 0.387 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.165 4.158 3.027 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.017 3.759 3.897 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.732 4.219 5.150 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.019 2.786 3.590 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.612 3.593 5.636 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.157 2.708 4.697 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.771 1.971 2.483 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.065 1.847 4.728 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.689 1.118 2.516 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.850 1.060 3.633 1.00 0.53 C ATOM 0 H TRP A 153 -21.071 6.192 4.438 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.175 5.637 1.818 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.085 4.085 3.608 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.247 3.443 2.209 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.304 4.966 5.681 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.188 3.760 6.548 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.415 2.009 1.617 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.411 1.803 5.587 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.486 0.484 1.665 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.013 0.377 3.630 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.407 6.008 2.328 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.691 6.222 1.705 1.00 0.99 C ATOM 2422 C GLU A 154 -24.868 7.706 1.507 1.00 0.96 C ATOM 2423 O GLU A 154 -25.087 8.441 2.465 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.792 5.619 2.575 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.449 4.199 2.988 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.482 3.542 3.873 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -27.486 3.029 3.337 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -26.320 3.578 5.109 1.00 2.32 O ATOM 0 H GLU A 154 -23.428 6.016 3.348 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.748 5.730 0.734 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.935 6.234 3.463 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.735 5.624 2.028 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.318 3.594 2.091 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.492 4.206 3.510 1.00 1.48 H new ATOM 2435 N ASP A 155 -24.731 8.134 0.261 1.00 0.99 N ATOM 2436 CA ASP A 155 -24.591 9.546 -0.064 1.00 1.07 C ATOM 2437 C ASP A 155 -25.915 10.281 0.064 1.00 1.02 C ATOM 2438 O ASP A 155 -26.574 10.600 -0.927 1.00 1.15 O ATOM 2439 CB ASP A 155 -24.008 9.700 -1.470 1.00 1.41 C ATOM 2440 CG ASP A 155 -23.584 11.118 -1.781 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -22.820 11.703 -0.986 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -23.974 11.636 -2.848 1.00 1.86 O ATOM 0 H ASP A 155 -24.714 7.516 -0.550 1.00 0.99 H new ATOM 0 HA ASP A 155 -23.904 9.998 0.652 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -23.148 9.038 -1.576 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -24.749 9.379 -2.202 1.00 1.41 H new ATOM 2447 N ASN A 156 -26.324 10.477 1.302 1.00 1.06 N ATOM 2448 CA ASN A 156 -27.494 11.277 1.610 1.00 1.31 C ATOM 2449 C ASN A 156 -27.075 12.667 2.090 1.00 1.59 C ATOM 2450 O ASN A 156 -26.853 12.855 3.301 1.00 2.09 O ATOM 2451 CB ASN A 156 -28.404 10.560 2.632 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.662 9.880 3.780 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.076 8.820 4.250 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -26.592 10.487 4.264 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.948 13.570 1.240 1.00 2.05 O ATOM 0 H ASN A 156 -25.857 10.088 2.121 1.00 1.06 H new ATOM 0 HA ASN A 156 -28.080 11.404 0.700 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -29.102 11.286 3.048 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.998 9.811 2.107 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -26.085 10.078 5.049 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -26.274 11.364 3.853 1.00 2.27 H new TER 2462 ASN A 156