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 152 ASN : amide:sc= 0.0151 K(o=-2.2,f=-2.8) USER MOD Set 1.2: A 156 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.62) USER MOD Set 2.1: A 30 CYS SG : rot -170:sc= -1.17 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.82 K(o=-0.35,f=-3.4!) USER MOD Set 3.1: A 55 GLN : amide:sc= 1.33 K(o=1.5,f=-6.5!) USER MOD Set 3.2: A 80 ASN : amide:sc= 0.185 K(o=1.5,f=0.84) USER MOD Set 4.1: A 44 TYR OH : rot 165:sc= 0.00412 USER MOD Set 4.2: A 93 THR OG1 : rot -170:sc= 0 USER MOD Set 4.3: A 115 ASN : amide:sc= -0.0112 X(o=-0.007,f=-0.15) USER MOD Set 5.1: A 8 ASN : amide:sc= -0.148 K(o=-0.11,f=0.45) USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 1 MET CE :methyl 140:sc= -2.21! (180deg=-5.12!) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00682 (180deg=-0.193) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 2.03 (180deg=1.84) USER MOD Single : A 5 GLN : amide:sc= 0.743 K(o=0.74,f=-3.1!) USER MOD Single : A 7 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.62) USER MOD Single : A 16 SER OG : rot 168:sc= 1.25 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.54) USER MOD Single : A 23 GLN : amide:sc= -4.81! K(o=-4.8!,f=-0.37) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 1.15 (180deg=1.02) USER MOD Single : A 47 SER OG : rot 133:sc= -2.66! 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 59 SER OG : rot 35:sc= 0.21 USER MOD Single : A 71 MET CE :methyl -167:sc= 0 (180deg=-0.301) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -161:sc= 1.29 USER MOD Single : A 99 CYS SG : rot -81:sc= -0.127 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00097 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.873 USER MOD Single : A 104 GLN : amide:sc= -4.02! K(o=-4!,f=-0.11) USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3!) USER MOD Single : A 117 TYR OH : rot 180:sc= -1.98! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 1.16 K(o=1.2,f=-0.33) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.04) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 138 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.3) USER MOD Single : A 142 SER OG : rot 180:sc= 0.00354 USER MOD Single : A 143 ASN : amide:sc= 0.0122 X(o=0.012,f=0) USER MOD Single : A 147 THR OG1 : rot 96:sc= 0.383 USER MOD Single : A 150 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.562 1.798 7.946 1.00 2.96 N ATOM 2 CA MET A 1 -22.146 2.566 6.749 1.00 2.49 C ATOM 3 C MET A 1 -21.160 1.764 5.907 1.00 1.61 C ATOM 4 O MET A 1 -21.125 1.907 4.687 1.00 2.04 O ATOM 5 CB MET A 1 -21.492 3.898 7.144 1.00 2.65 C ATOM 6 CG MET A 1 -20.073 3.747 7.680 1.00 2.26 C ATOM 7 SD MET A 1 -19.113 5.266 7.560 1.00 2.63 S ATOM 8 CE MET A 1 -17.469 4.657 7.917 1.00 2.46 C ATOM 0 H1 MET A 1 -23.386 2.257 8.384 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.813 0.828 7.666 1.00 2.96 H new ATOM 0 H3 MET A 1 -21.779 1.769 8.629 1.00 2.96 H new ATOM 0 HA MET A 1 -23.045 2.767 6.167 1.00 2.49 H new ATOM 0 HB2 MET A 1 -21.475 4.556 6.275 1.00 2.65 H new ATOM 0 HB3 MET A 1 -22.107 4.385 7.901 1.00 2.65 H new ATOM 0 HG2 MET A 1 -20.115 3.431 8.722 1.00 2.26 H new ATOM 0 HG3 MET A 1 -19.564 2.957 7.128 1.00 2.26 H new ATOM 0 HE1 MET A 1 -16.749 5.148 7.263 1.00 2.46 H new ATOM 0 HE2 MET A 1 -17.220 4.871 8.956 1.00 2.46 H new ATOM 0 HE3 MET A 1 -17.436 3.580 7.750 1.00 2.46 H new ATOM 18 N ALA A 2 -20.352 0.933 6.560 1.00 0.91 N ATOM 19 CA ALA A 2 -19.331 0.165 5.870 1.00 0.66 C ATOM 20 C ALA A 2 -19.961 -0.820 4.899 1.00 0.57 C ATOM 21 O ALA A 2 -20.587 -1.797 5.302 1.00 0.68 O ATOM 22 CB ALA A 2 -18.437 -0.555 6.866 1.00 1.48 C ATOM 0 H ALA A 2 -20.388 0.777 7.567 1.00 0.91 H new ATOM 0 HA ALA A 2 -18.714 0.856 5.297 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.679 -1.125 6.329 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -17.951 0.175 7.513 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.039 -1.233 7.471 1.00 1.48 H new ATOM 28 N LYS A 3 -19.827 -0.525 3.620 1.00 0.46 N ATOM 29 CA LYS A 3 -20.352 -1.385 2.576 1.00 0.45 C ATOM 30 C LYS A 3 -19.245 -2.273 2.026 1.00 0.35 C ATOM 31 O LYS A 3 -19.494 -3.203 1.269 1.00 0.36 O ATOM 32 CB LYS A 3 -20.989 -0.528 1.481 1.00 0.54 C ATOM 33 CG LYS A 3 -22.201 0.241 1.981 1.00 0.82 C ATOM 34 CD LYS A 3 -22.221 1.676 1.492 1.00 0.81 C ATOM 35 CE LYS A 3 -23.265 2.497 2.238 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.657 2.103 1.894 1.00 0.98 N ATOM 0 H LYS A 3 -19.355 0.311 3.277 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.123 -2.038 2.986 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.249 0.174 1.096 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.285 -1.167 0.649 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.109 -0.264 1.652 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.209 0.232 3.071 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.237 2.124 1.629 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.434 1.696 0.423 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.114 2.381 3.311 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.123 3.553 2.008 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.324 2.607 2.513 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.852 2.348 0.902 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -24.770 1.078 2.026 1.00 0.98 H new ATOM 50 N VAL A 4 -18.023 -1.980 2.445 1.00 0.32 N ATOM 51 CA VAL A 4 -16.854 -2.780 2.110 1.00 0.29 C ATOM 52 C VAL A 4 -15.919 -2.820 3.310 1.00 0.33 C ATOM 53 O VAL A 4 -15.442 -1.783 3.775 1.00 0.45 O ATOM 54 CB VAL A 4 -16.100 -2.237 0.863 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.616 -2.585 0.912 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.708 -2.798 -0.413 1.00 0.27 C ATOM 0 H VAL A 4 -17.813 -1.173 3.032 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.195 -3.785 1.860 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.201 -1.152 0.869 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.120 -2.190 0.025 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.169 -2.146 1.804 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.497 -3.668 0.942 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.168 -2.407 -1.276 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.637 -3.886 -0.402 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.756 -2.504 -0.477 1.00 0.27 H new ATOM 66 N GLN A 5 -15.698 -4.012 3.833 1.00 0.30 N ATOM 67 CA GLN A 5 -14.787 -4.201 4.947 1.00 0.34 C ATOM 68 C GLN A 5 -13.787 -5.295 4.606 1.00 0.31 C ATOM 69 O GLN A 5 -14.155 -6.459 4.438 1.00 0.32 O ATOM 70 CB GLN A 5 -15.574 -4.553 6.216 1.00 0.41 C ATOM 71 CG GLN A 5 -14.723 -4.758 7.466 1.00 0.72 C ATOM 72 CD GLN A 5 -13.845 -3.565 7.803 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.284 -2.621 8.462 1.00 1.33 O ATOM 74 NE2 GLN A 5 -12.585 -3.626 7.403 1.00 1.39 N ATOM 0 H GLN A 5 -16.140 -4.869 3.501 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.241 -3.276 5.133 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.294 -3.758 6.411 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.146 -5.462 6.031 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.378 -4.967 8.312 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.092 -5.636 7.327 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.261 -4.425 6.859 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -11.938 -2.874 7.639 1.00 1.39 H new ATOM 83 N VAL A 6 -12.528 -4.912 4.461 1.00 0.32 N ATOM 84 CA VAL A 6 -11.480 -5.877 4.182 1.00 0.34 C ATOM 85 C VAL A 6 -11.266 -6.768 5.401 1.00 0.38 C ATOM 86 O VAL A 6 -11.407 -6.320 6.539 1.00 0.60 O ATOM 87 CB VAL A 6 -10.149 -5.195 3.786 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.365 -4.202 2.653 1.00 1.12 C ATOM 89 CG2 VAL A 6 -9.497 -4.525 4.981 1.00 1.32 C ATOM 0 H VAL A 6 -12.210 -3.945 4.532 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.802 -6.479 3.332 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.470 -5.970 3.431 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -9.415 -3.735 2.392 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -10.764 -4.724 1.783 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.071 -3.435 2.971 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -8.564 -4.055 4.670 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.168 -3.767 5.384 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.290 -5.271 5.748 1.00 1.32 H new ATOM 99 N ASN A 7 -10.956 -8.027 5.158 1.00 0.32 N ATOM 100 CA ASN A 7 -10.733 -8.977 6.242 1.00 0.36 C ATOM 101 C ASN A 7 -9.399 -9.670 6.058 1.00 0.37 C ATOM 102 O ASN A 7 -8.500 -9.559 6.893 1.00 0.46 O ATOM 103 CB ASN A 7 -11.850 -10.030 6.296 1.00 0.37 C ATOM 104 CG ASN A 7 -13.201 -9.454 6.682 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.537 -9.352 7.862 1.00 0.96 O ATOM 106 ND2 ASN A 7 -13.996 -9.101 5.687 1.00 0.53 N ATOM 0 H ASN A 7 -10.852 -8.420 4.222 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.734 -8.421 7.180 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -11.933 -10.511 5.322 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.575 -10.805 7.012 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -14.925 -8.729 5.884 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.681 -9.201 4.722 1.00 0.53 H new ATOM 113 N ASN A 8 -9.268 -10.362 4.942 1.00 0.33 N ATOM 114 CA ASN A 8 -8.079 -11.147 4.663 1.00 0.39 C ATOM 115 C ASN A 8 -7.180 -10.399 3.704 1.00 0.39 C ATOM 116 O ASN A 8 -7.539 -10.189 2.554 1.00 0.48 O ATOM 117 CB ASN A 8 -8.455 -12.512 4.076 1.00 0.44 C ATOM 118 CG ASN A 8 -7.243 -13.319 3.634 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.629 -14.022 4.438 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.907 -13.248 2.353 1.00 1.47 N ATOM 0 H ASN A 8 -9.976 -10.397 4.208 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.546 -11.311 5.599 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -9.013 -13.081 4.820 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -9.118 -12.365 3.224 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -6.115 -13.787 2.003 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.440 -12.654 1.718 1.00 1.47 H new ATOM 127 N VAL A 9 -6.031 -9.974 4.179 1.00 0.42 N ATOM 128 CA VAL A 9 -5.066 -9.319 3.324 1.00 0.45 C ATOM 129 C VAL A 9 -3.719 -10.023 3.436 1.00 0.50 C ATOM 130 O VAL A 9 -3.064 -9.998 4.479 1.00 0.60 O ATOM 131 CB VAL A 9 -4.947 -7.807 3.641 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.577 -7.564 5.097 1.00 0.78 C ATOM 133 CG2 VAL A 9 -3.949 -7.140 2.706 1.00 1.01 C ATOM 0 H VAL A 9 -5.742 -10.070 5.152 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.414 -9.391 2.293 1.00 0.45 H new ATOM 0 HB VAL A 9 -5.926 -7.357 3.477 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.503 -6.492 5.280 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.344 -7.990 5.743 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.618 -8.036 5.312 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -3.880 -6.079 2.945 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -2.970 -7.604 2.828 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.281 -7.259 1.675 1.00 1.01 H new ATOM 143 N VAL A 10 -3.347 -10.712 2.372 1.00 0.52 N ATOM 144 CA VAL A 10 -2.113 -11.462 2.347 1.00 0.61 C ATOM 145 C VAL A 10 -1.035 -10.690 1.603 1.00 0.47 C ATOM 146 O VAL A 10 -1.167 -10.408 0.414 1.00 0.48 O ATOM 147 CB VAL A 10 -2.313 -12.839 1.684 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.996 -13.582 1.585 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.333 -13.662 2.455 1.00 1.24 C ATOM 0 H VAL A 10 -3.889 -10.765 1.510 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.798 -11.615 3.379 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.693 -12.679 0.675 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.160 -14.551 1.114 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.295 -13.001 0.986 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.585 -13.729 2.584 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.460 -14.630 1.971 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.984 -13.810 3.477 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.288 -13.136 2.471 1.00 1.24 H new ATOM 159 N VAL A 11 0.016 -10.330 2.313 1.00 0.44 N ATOM 160 CA VAL A 11 1.155 -9.673 1.702 1.00 0.39 C ATOM 161 C VAL A 11 2.123 -10.724 1.191 1.00 0.41 C ATOM 162 O VAL A 11 2.655 -11.517 1.966 1.00 0.52 O ATOM 163 CB VAL A 11 1.878 -8.745 2.697 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.006 -8.005 2.001 1.00 0.81 C ATOM 165 CG2 VAL A 11 0.899 -7.764 3.326 1.00 0.91 C ATOM 0 H VAL A 11 0.105 -10.482 3.318 1.00 0.44 H new ATOM 0 HA VAL A 11 0.792 -9.060 0.877 1.00 0.39 H new ATOM 0 HB VAL A 11 2.304 -9.355 3.493 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.509 -7.353 2.715 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.721 -8.724 1.601 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.600 -7.406 1.186 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.430 -7.118 4.025 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.442 -7.156 2.546 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.123 -8.315 3.858 1.00 0.91 H new ATOM 175 N LEU A 12 2.331 -10.752 -0.115 1.00 0.40 N ATOM 176 CA LEU A 12 3.184 -11.766 -0.699 1.00 0.45 C ATOM 177 C LEU A 12 4.544 -11.194 -1.053 1.00 0.57 C ATOM 178 O LEU A 12 4.675 -10.013 -1.397 1.00 1.18 O ATOM 179 CB LEU A 12 2.557 -12.384 -1.953 1.00 0.50 C ATOM 180 CG LEU A 12 1.081 -12.755 -1.850 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.220 -11.588 -2.301 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.783 -13.997 -2.673 1.00 1.16 C ATOM 0 H LEU A 12 1.926 -10.093 -0.780 1.00 0.40 H new ATOM 0 HA LEU A 12 3.302 -12.547 0.052 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.678 -11.683 -2.779 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.119 -13.281 -2.212 1.00 0.50 H new ATOM 0 HG LEU A 12 0.846 -12.978 -0.809 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.832 -11.861 -2.224 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.418 -10.724 -1.667 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.456 -11.340 -3.336 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.275 -14.246 -2.587 1.00 1.16 H new ATOM 0 HD22 LEU A 12 1.027 -13.808 -3.718 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.383 -14.830 -2.305 1.00 1.16 H new ATOM 194 N ASP A 13 5.547 -12.048 -0.928 1.00 0.84 N ATOM 195 CA ASP A 13 6.900 -11.757 -1.379 1.00 1.01 C ATOM 196 C ASP A 13 7.556 -10.701 -0.506 1.00 0.85 C ATOM 197 O ASP A 13 8.322 -9.869 -0.980 1.00 1.01 O ATOM 198 CB ASP A 13 6.907 -11.345 -2.854 1.00 1.29 C ATOM 199 CG ASP A 13 7.659 -12.344 -3.709 1.00 2.15 C ATOM 200 OD1 ASP A 13 8.890 -12.209 -3.850 1.00 2.57 O ATOM 201 OD2 ASP A 13 7.020 -13.284 -4.230 1.00 2.73 O ATOM 0 H ASP A 13 5.445 -12.971 -0.507 1.00 0.84 H new ATOM 0 HA ASP A 13 7.489 -12.669 -1.285 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.881 -11.258 -3.213 1.00 1.29 H new ATOM 0 HB3 ASP A 13 7.365 -10.361 -2.955 1.00 1.29 H new ATOM 206 N ASN A 14 7.230 -10.723 0.776 1.00 0.68 N ATOM 207 CA ASN A 14 7.966 -9.932 1.754 1.00 0.63 C ATOM 208 C ASN A 14 8.809 -10.852 2.637 1.00 0.57 C ATOM 209 O ASN A 14 8.298 -11.819 3.207 1.00 0.67 O ATOM 210 CB ASN A 14 7.017 -9.077 2.613 1.00 0.78 C ATOM 211 CG ASN A 14 6.124 -9.890 3.538 1.00 0.96 C ATOM 212 OD1 ASN A 14 5.067 -10.362 3.133 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.529 -10.033 4.793 1.00 1.40 N ATOM 0 H ASN A 14 6.466 -11.276 1.164 1.00 0.68 H new ATOM 0 HA ASN A 14 8.625 -9.250 1.217 1.00 0.63 H new ATOM 0 HB2 ASN A 14 7.609 -8.384 3.211 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.390 -8.475 1.955 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.955 -10.550 5.458 1.00 1.40 H new ATOM 0 HD22 ASN A 14 7.415 -9.626 5.093 1.00 1.40 H new ATOM 220 N PRO A 15 10.124 -10.594 2.739 1.00 0.51 N ATOM 221 CA PRO A 15 10.810 -9.532 2.009 1.00 0.45 C ATOM 222 C PRO A 15 11.367 -9.992 0.664 1.00 0.44 C ATOM 223 O PRO A 15 11.781 -11.141 0.502 1.00 0.48 O ATOM 224 CB PRO A 15 11.972 -9.157 2.943 1.00 0.48 C ATOM 225 CG PRO A 15 11.994 -10.193 4.033 1.00 0.57 C ATOM 226 CD PRO A 15 11.061 -11.295 3.613 1.00 0.60 C ATOM 0 HA PRO A 15 10.131 -8.713 1.772 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.917 -9.144 2.401 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.830 -8.159 3.359 1.00 0.48 H new ATOM 0 HG2 PRO A 15 13.003 -10.577 4.179 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.677 -9.761 4.982 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.585 -12.094 3.089 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.558 -11.750 4.467 1.00 0.60 H new ATOM 234 N SER A 16 11.371 -9.076 -0.287 1.00 0.42 N ATOM 235 CA SER A 16 11.927 -9.310 -1.613 1.00 0.47 C ATOM 236 C SER A 16 12.375 -7.971 -2.185 1.00 0.45 C ATOM 237 O SER A 16 11.964 -6.935 -1.674 1.00 0.43 O ATOM 238 CB SER A 16 10.895 -9.974 -2.532 1.00 0.59 C ATOM 239 OG SER A 16 10.546 -11.269 -2.078 1.00 0.77 O ATOM 0 H SER A 16 10.986 -8.140 -0.163 1.00 0.42 H new ATOM 0 HA SER A 16 12.777 -9.988 -1.541 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.001 -9.353 -2.583 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.297 -10.039 -3.543 1.00 0.59 H new ATOM 0 HG SER A 16 9.753 -11.582 -2.561 1.00 0.77 H new ATOM 245 N PRO A 17 13.206 -7.958 -3.246 1.00 0.52 N ATOM 246 CA PRO A 17 13.762 -6.721 -3.802 1.00 0.52 C ATOM 247 C PRO A 17 12.697 -5.660 -4.081 1.00 0.48 C ATOM 248 O PRO A 17 11.580 -5.973 -4.496 1.00 0.58 O ATOM 249 CB PRO A 17 14.435 -7.163 -5.111 1.00 0.60 C ATOM 250 CG PRO A 17 13.973 -8.562 -5.349 1.00 0.83 C ATOM 251 CD PRO A 17 13.658 -9.132 -3.999 1.00 0.63 C ATOM 0 HA PRO A 17 14.448 -6.250 -3.098 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.151 -6.511 -5.937 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.521 -7.118 -5.028 1.00 0.60 H new ATOM 0 HG2 PRO A 17 13.094 -8.578 -5.993 1.00 0.83 H new ATOM 0 HG3 PRO A 17 14.745 -9.147 -5.849 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.885 -9.899 -4.054 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.533 -9.594 -3.541 1.00 0.63 H new ATOM 259 N PHE A 18 13.057 -4.415 -3.797 1.00 0.41 N ATOM 260 CA PHE A 18 12.226 -3.243 -4.073 1.00 0.37 C ATOM 261 C PHE A 18 11.631 -3.250 -5.489 1.00 0.36 C ATOM 262 O PHE A 18 10.507 -2.791 -5.688 1.00 0.37 O ATOM 263 CB PHE A 18 13.068 -1.974 -3.846 1.00 0.38 C ATOM 264 CG PHE A 18 12.592 -0.757 -4.591 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.566 0.028 -4.093 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.178 -0.403 -5.797 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.134 1.142 -4.788 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.752 0.708 -6.493 1.00 0.36 C ATOM 269 CZ PHE A 18 11.726 1.482 -5.991 1.00 0.37 C ATOM 0 H PHE A 18 13.950 -4.184 -3.361 1.00 0.41 H new ATOM 0 HA PHE A 18 11.377 -3.265 -3.389 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.078 -1.748 -2.780 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.097 -2.181 -4.138 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.100 -0.232 -3.154 1.00 0.35 H new ATOM 0 HD2 PHE A 18 13.980 -1.006 -6.197 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.333 1.748 -4.391 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.220 0.972 -7.430 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.386 2.351 -6.536 1.00 0.37 H new ATOM 279 N TYR A 19 12.367 -3.781 -6.464 1.00 0.38 N ATOM 280 CA TYR A 19 11.897 -3.771 -7.851 1.00 0.41 C ATOM 281 C TYR A 19 10.895 -4.889 -8.113 1.00 0.44 C ATOM 282 O TYR A 19 10.415 -5.057 -9.232 1.00 0.52 O ATOM 283 CB TYR A 19 13.065 -3.857 -8.838 1.00 0.45 C ATOM 284 CG TYR A 19 13.738 -2.525 -9.078 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.060 -1.492 -9.715 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.041 -2.297 -8.664 1.00 0.58 C ATOM 287 CE1 TYR A 19 13.663 -0.270 -9.932 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.652 -1.074 -8.877 1.00 0.64 C ATOM 289 CZ TYR A 19 14.957 -0.065 -9.512 1.00 0.57 C ATOM 290 OH TYR A 19 15.554 1.157 -9.723 1.00 0.65 O ATOM 0 H TYR A 19 13.278 -4.218 -6.325 1.00 0.38 H new ATOM 0 HA TYR A 19 11.388 -2.820 -8.007 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.801 -4.566 -8.460 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.702 -4.250 -9.788 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.044 -1.649 -10.046 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.587 -3.086 -8.168 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.122 0.522 -10.429 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.668 -0.910 -8.548 1.00 0.64 H new ATOM 0 HH TYR A 19 16.467 1.141 -9.368 1.00 0.65 H new ATOM 300 N ASN A 20 10.582 -5.646 -7.077 1.00 0.44 N ATOM 301 CA ASN A 20 9.538 -6.651 -7.151 1.00 0.48 C ATOM 302 C ASN A 20 8.230 -6.053 -6.631 1.00 0.42 C ATOM 303 O ASN A 20 8.189 -5.478 -5.536 1.00 0.52 O ATOM 304 CB ASN A 20 9.959 -7.908 -6.375 1.00 0.61 C ATOM 305 CG ASN A 20 8.882 -8.454 -5.456 1.00 1.03 C ATOM 306 OD1 ASN A 20 8.034 -9.246 -5.863 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.932 -8.049 -4.198 1.00 0.69 N ATOM 0 H ASN A 20 11.040 -5.582 -6.168 1.00 0.44 H new ATOM 0 HA ASN A 20 9.378 -6.957 -8.185 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.243 -8.684 -7.086 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.845 -7.678 -5.783 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.250 -8.395 -3.523 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.653 -7.391 -3.902 1.00 0.69 H new ATOM 314 N PRO A 21 7.155 -6.163 -7.425 1.00 0.41 N ATOM 315 CA PRO A 21 5.886 -5.474 -7.162 1.00 0.38 C ATOM 316 C PRO A 21 5.273 -5.828 -5.814 1.00 0.35 C ATOM 317 O PRO A 21 5.399 -6.955 -5.333 1.00 0.42 O ATOM 318 CB PRO A 21 4.972 -5.946 -8.299 1.00 0.44 C ATOM 319 CG PRO A 21 5.899 -6.418 -9.363 1.00 0.62 C ATOM 320 CD PRO A 21 7.087 -6.984 -8.644 1.00 0.57 C ATOM 0 HA PRO A 21 6.029 -4.394 -7.124 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.310 -6.746 -7.968 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.338 -5.136 -8.658 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.424 -7.173 -9.989 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.192 -5.598 -10.019 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.953 -8.041 -8.412 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.997 -6.900 -9.239 1.00 0.57 H new ATOM 328 N PHE A 22 4.622 -4.851 -5.201 1.00 0.33 N ATOM 329 CA PHE A 22 3.913 -5.065 -3.954 1.00 0.34 C ATOM 330 C PHE A 22 2.699 -5.943 -4.205 1.00 0.33 C ATOM 331 O PHE A 22 1.738 -5.518 -4.847 1.00 0.41 O ATOM 332 CB PHE A 22 3.480 -3.730 -3.345 1.00 0.37 C ATOM 333 CG PHE A 22 4.630 -2.842 -2.964 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.214 -2.939 -1.711 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.126 -1.909 -3.861 1.00 0.49 C ATOM 336 CE1 PHE A 22 6.270 -2.123 -1.361 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.183 -1.090 -3.515 1.00 0.57 C ATOM 338 CZ PHE A 22 6.759 -1.204 -2.256 1.00 0.58 C ATOM 0 H PHE A 22 4.572 -3.895 -5.553 1.00 0.33 H new ATOM 0 HA PHE A 22 4.580 -5.562 -3.249 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.846 -3.203 -4.058 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.873 -3.923 -2.461 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.839 -3.661 -1.001 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.681 -1.821 -4.841 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.713 -2.207 -0.380 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.560 -0.364 -4.220 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.590 -0.571 -1.982 1.00 0.58 H new ATOM 348 N GLN A 23 2.761 -7.172 -3.721 1.00 0.31 N ATOM 349 CA GLN A 23 1.709 -8.138 -3.975 1.00 0.34 C ATOM 350 C GLN A 23 0.754 -8.186 -2.795 1.00 0.33 C ATOM 351 O GLN A 23 1.124 -8.631 -1.707 1.00 0.38 O ATOM 352 CB GLN A 23 2.304 -9.530 -4.220 1.00 0.45 C ATOM 353 CG GLN A 23 3.619 -9.505 -4.981 1.00 0.97 C ATOM 354 CD GLN A 23 4.001 -10.844 -5.585 1.00 0.90 C ATOM 355 OE1 GLN A 23 4.657 -10.902 -6.624 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.600 -11.929 -4.944 1.00 1.13 N ATOM 0 H GLN A 23 3.530 -7.523 -3.150 1.00 0.31 H new ATOM 0 HA GLN A 23 1.164 -7.830 -4.867 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.459 -10.024 -3.261 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.584 -10.131 -4.775 1.00 0.45 H new ATOM 0 HG2 GLN A 23 3.554 -8.763 -5.777 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.412 -9.181 -4.307 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.057 -11.842 -4.085 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.833 -12.852 -5.309 1.00 1.13 H new ATOM 365 N PHE A 24 -0.460 -7.705 -3.007 1.00 0.31 N ATOM 366 CA PHE A 24 -1.478 -7.730 -1.973 1.00 0.33 C ATOM 367 C PHE A 24 -2.635 -8.619 -2.383 1.00 0.36 C ATOM 368 O PHE A 24 -3.252 -8.408 -3.423 1.00 0.50 O ATOM 369 CB PHE A 24 -1.998 -6.324 -1.691 1.00 0.31 C ATOM 370 CG PHE A 24 -0.976 -5.409 -1.089 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.617 -5.526 0.242 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.366 -4.437 -1.861 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.335 -4.690 0.794 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.583 -3.595 -1.318 1.00 0.32 C ATOM 375 CZ PHE A 24 0.903 -3.701 0.041 1.00 0.30 C ATOM 0 H PHE A 24 -0.764 -7.292 -3.889 1.00 0.31 H new ATOM 0 HA PHE A 24 -1.021 -8.130 -1.068 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.359 -5.887 -2.622 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.853 -6.391 -1.018 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.086 -6.280 0.857 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.636 -4.336 -2.902 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.631 -4.819 1.825 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.075 -2.860 -1.937 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.595 -3.005 0.492 1.00 0.30 H new ATOM 385 N GLU A 25 -2.919 -9.612 -1.571 1.00 0.31 N ATOM 386 CA GLU A 25 -4.074 -10.455 -1.791 1.00 0.34 C ATOM 387 C GLU A 25 -5.207 -9.914 -0.938 1.00 0.32 C ATOM 388 O GLU A 25 -5.265 -10.153 0.271 1.00 0.35 O ATOM 389 CB GLU A 25 -3.766 -11.914 -1.443 1.00 0.43 C ATOM 390 CG GLU A 25 -4.613 -12.922 -2.210 1.00 0.97 C ATOM 391 CD GLU A 25 -6.102 -12.720 -2.011 1.00 1.43 C ATOM 392 OE1 GLU A 25 -6.602 -13.015 -0.905 1.00 1.72 O ATOM 393 OE2 GLU A 25 -6.773 -12.274 -2.963 1.00 1.98 O ATOM 0 H GLU A 25 -2.365 -9.857 -0.750 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.357 -10.440 -2.844 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.713 -12.111 -1.644 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.920 -12.063 -0.374 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -4.381 -12.849 -3.273 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.343 -13.930 -1.894 1.00 0.97 H new ATOM 400 N ILE A 26 -6.068 -9.143 -1.564 1.00 0.30 N ATOM 401 CA ILE A 26 -7.095 -8.413 -0.854 1.00 0.30 C ATOM 402 C ILE A 26 -8.443 -9.125 -0.908 1.00 0.29 C ATOM 403 O ILE A 26 -9.115 -9.157 -1.942 1.00 0.32 O ATOM 404 CB ILE A 26 -7.246 -6.993 -1.422 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.913 -6.243 -1.341 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.329 -6.232 -0.670 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.926 -4.904 -2.046 1.00 0.29 C ATOM 0 H ILE A 26 -6.077 -9.005 -2.575 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.779 -8.358 0.188 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.540 -7.068 -2.469 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.655 -6.090 -0.293 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.129 -6.864 -1.774 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.423 -5.228 -1.085 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.279 -6.757 -0.771 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -8.061 -6.165 0.385 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.949 -4.431 -1.947 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.152 -5.051 -3.102 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.686 -4.264 -1.598 1.00 0.29 H new ATOM 419 N THR A 27 -8.821 -9.704 0.213 1.00 0.31 N ATOM 420 CA THR A 27 -10.137 -10.280 0.381 1.00 0.30 C ATOM 421 C THR A 27 -11.005 -9.337 1.214 1.00 0.27 C ATOM 422 O THR A 27 -10.820 -9.213 2.433 1.00 0.29 O ATOM 423 CB THR A 27 -10.047 -11.654 1.075 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.146 -12.515 0.366 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.409 -12.318 1.167 1.00 0.34 C ATOM 0 H THR A 27 -8.222 -9.788 1.034 1.00 0.31 H new ATOM 0 HA THR A 27 -10.585 -10.419 -0.603 1.00 0.30 H new ATOM 0 HB THR A 27 -9.673 -11.486 2.085 1.00 0.36 H new ATOM 0 HG1 THR A 27 -9.098 -13.383 0.819 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.310 -13.284 1.661 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.085 -11.684 1.741 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.812 -12.463 0.164 1.00 0.34 H new ATOM 433 N PHE A 28 -11.943 -8.668 0.561 1.00 0.23 N ATOM 434 CA PHE A 28 -12.799 -7.716 1.238 1.00 0.22 C ATOM 435 C PHE A 28 -14.249 -8.157 1.148 1.00 0.21 C ATOM 436 O PHE A 28 -14.701 -8.646 0.114 1.00 0.20 O ATOM 437 CB PHE A 28 -12.624 -6.310 0.650 1.00 0.21 C ATOM 438 CG PHE A 28 -13.076 -6.165 -0.778 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.321 -6.697 -1.809 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.260 -5.516 -1.088 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.733 -6.581 -3.122 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.677 -5.399 -2.399 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.908 -5.864 -3.412 1.00 0.28 C ATOM 0 H PHE A 28 -12.128 -8.769 -0.437 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.511 -7.680 2.289 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.178 -5.602 1.266 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.572 -6.033 0.714 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.397 -7.210 -1.584 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.863 -5.097 -0.296 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -12.160 -7.035 -3.917 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.626 -4.932 -2.619 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.195 -5.685 -4.438 1.00 0.28 H new ATOM 453 N GLU A 29 -14.963 -7.993 2.237 1.00 0.22 N ATOM 454 CA GLU A 29 -16.350 -8.399 2.302 1.00 0.23 C ATOM 455 C GLU A 29 -17.258 -7.185 2.200 1.00 0.25 C ATOM 456 O GLU A 29 -17.230 -6.295 3.055 1.00 0.29 O ATOM 457 CB GLU A 29 -16.598 -9.170 3.598 1.00 0.26 C ATOM 458 CG GLU A 29 -18.042 -9.575 3.831 1.00 0.33 C ATOM 459 CD GLU A 29 -18.207 -10.375 5.107 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.032 -9.802 6.203 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.537 -11.576 5.023 1.00 0.67 O ATOM 0 H GLU A 29 -14.604 -7.578 3.097 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.577 -9.055 1.462 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.980 -10.068 3.594 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.267 -8.558 4.437 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.666 -8.682 3.879 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.394 -10.165 2.985 1.00 0.33 H new ATOM 468 N CYS A 30 -18.022 -7.131 1.124 1.00 0.24 N ATOM 469 CA CYS A 30 -18.995 -6.079 0.944 1.00 0.28 C ATOM 470 C CYS A 30 -20.202 -6.352 1.827 1.00 0.33 C ATOM 471 O CYS A 30 -20.955 -7.296 1.590 1.00 0.35 O ATOM 472 CB CYS A 30 -19.417 -5.989 -0.523 1.00 0.29 C ATOM 473 SG CYS A 30 -18.041 -5.780 -1.675 1.00 0.51 S ATOM 0 H CYS A 30 -17.984 -7.808 0.362 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.550 -5.126 1.229 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.965 -6.893 -0.788 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.106 -5.153 -0.641 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.504 -5.505 -2.858 1.00 0.51 H new ATOM 479 N ILE A 31 -20.361 -5.533 2.854 1.00 0.39 N ATOM 480 CA ILE A 31 -21.434 -5.709 3.819 1.00 0.45 C ATOM 481 C ILE A 31 -22.747 -5.241 3.207 1.00 0.48 C ATOM 482 O ILE A 31 -23.831 -5.693 3.583 1.00 0.53 O ATOM 483 CB ILE A 31 -21.146 -4.918 5.117 1.00 0.49 C ATOM 484 CG1 ILE A 31 -19.720 -5.207 5.607 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.161 -5.265 6.197 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.338 -4.454 6.863 1.00 0.52 C ATOM 0 H ILE A 31 -19.755 -4.734 3.041 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.503 -6.766 4.074 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.233 -3.854 4.899 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.620 -6.277 5.792 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.016 -4.953 4.815 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -21.939 -4.697 7.101 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.163 -5.015 5.848 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.109 -6.331 6.416 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.317 -4.711 7.145 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.404 -3.382 6.679 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.017 -4.726 7.671 1.00 0.52 H new ATOM 498 N GLU A 32 -22.624 -4.344 2.247 1.00 0.49 N ATOM 499 CA GLU A 32 -23.759 -3.819 1.515 1.00 0.53 C ATOM 500 C GLU A 32 -23.401 -3.722 0.044 1.00 0.52 C ATOM 501 O GLU A 32 -22.267 -4.013 -0.340 1.00 0.51 O ATOM 502 CB GLU A 32 -24.147 -2.439 2.033 1.00 0.60 C ATOM 503 CG GLU A 32 -24.671 -2.430 3.455 1.00 0.84 C ATOM 504 CD GLU A 32 -24.922 -1.027 3.966 1.00 1.25 C ATOM 505 OE1 GLU A 32 -25.256 -0.147 3.148 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.794 -0.800 5.187 1.00 1.83 O ATOM 0 H GLU A 32 -21.728 -3.957 1.952 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.606 -4.491 1.653 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.277 -1.784 1.975 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -24.908 -2.018 1.376 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.597 -3.003 3.502 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -23.954 -2.929 4.107 1.00 0.84 H new ATOM 513 N ASP A 33 -24.352 -3.305 -0.771 1.00 0.62 N ATOM 514 CA ASP A 33 -24.107 -3.133 -2.193 1.00 0.65 C ATOM 515 C ASP A 33 -23.680 -1.705 -2.488 1.00 0.65 C ATOM 516 O ASP A 33 -24.272 -0.751 -1.980 1.00 0.79 O ATOM 517 CB ASP A 33 -25.349 -3.494 -3.005 1.00 0.76 C ATOM 518 CG ASP A 33 -25.620 -4.983 -3.008 1.00 1.44 C ATOM 519 OD1 ASP A 33 -25.067 -5.687 -3.883 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.380 -5.457 -2.141 1.00 2.18 O ATOM 0 H ASP A 33 -25.301 -3.079 -0.474 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.301 -3.806 -2.484 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.213 -2.970 -2.596 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.223 -3.148 -4.031 1.00 0.76 H new ATOM 525 N LEU A 34 -22.642 -1.562 -3.298 1.00 0.57 N ATOM 526 CA LEU A 34 -22.114 -0.252 -3.636 1.00 0.57 C ATOM 527 C LEU A 34 -22.802 0.303 -4.876 1.00 0.64 C ATOM 528 O LEU A 34 -22.932 -0.391 -5.882 1.00 0.71 O ATOM 529 CB LEU A 34 -20.600 -0.326 -3.875 1.00 0.55 C ATOM 530 CG LEU A 34 -19.719 -0.422 -2.620 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.988 -1.700 -1.837 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.254 -0.345 -3.010 1.00 1.41 C ATOM 0 H LEU A 34 -22.148 -2.341 -3.734 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.309 0.415 -2.796 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.395 -1.192 -4.505 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.299 0.557 -4.438 1.00 0.55 H new ATOM 0 HG LEU A 34 -19.968 0.419 -1.972 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.345 -1.730 -0.957 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.032 -1.722 -1.525 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.780 -2.564 -2.468 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -17.635 -0.414 -2.115 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.013 -1.168 -3.682 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.061 0.603 -3.513 1.00 1.41 H new ATOM 544 N SER A 35 -23.239 1.549 -4.794 1.00 0.75 N ATOM 545 CA SER A 35 -23.858 2.216 -5.928 1.00 0.89 C ATOM 546 C SER A 35 -22.792 2.845 -6.824 1.00 0.75 C ATOM 547 O SER A 35 -22.950 2.924 -8.041 1.00 0.92 O ATOM 548 CB SER A 35 -24.831 3.283 -5.428 1.00 1.14 C ATOM 549 OG SER A 35 -25.791 2.718 -4.547 1.00 1.55 O ATOM 0 H SER A 35 -23.176 2.120 -3.951 1.00 0.75 H new ATOM 0 HA SER A 35 -24.407 1.481 -6.516 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.280 4.072 -4.915 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.337 3.746 -6.275 1.00 1.14 H new ATOM 0 HG SER A 35 -26.403 3.418 -4.237 1.00 1.55 H new ATOM 555 N GLU A 36 -21.706 3.286 -6.206 1.00 0.61 N ATOM 556 CA GLU A 36 -20.597 3.896 -6.926 1.00 0.51 C ATOM 557 C GLU A 36 -19.462 2.879 -7.085 1.00 0.44 C ATOM 558 O GLU A 36 -19.514 1.787 -6.507 1.00 0.53 O ATOM 559 CB GLU A 36 -20.114 5.132 -6.154 1.00 0.63 C ATOM 560 CG GLU A 36 -19.081 5.971 -6.889 1.00 1.48 C ATOM 561 CD GLU A 36 -18.483 7.048 -6.012 1.00 2.16 C ATOM 562 OE1 GLU A 36 -17.647 6.720 -5.144 1.00 2.95 O ATOM 563 OE2 GLU A 36 -18.845 8.225 -6.191 1.00 2.46 O ATOM 0 H GLU A 36 -21.569 3.232 -5.197 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.923 4.204 -7.919 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.975 5.759 -5.922 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.691 4.808 -5.203 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -18.286 5.323 -7.257 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.545 6.432 -7.761 1.00 1.48 H new ATOM 570 N ASP A 37 -18.458 3.230 -7.875 1.00 0.37 N ATOM 571 CA ASP A 37 -17.295 2.379 -8.071 1.00 0.36 C ATOM 572 C ASP A 37 -16.298 2.565 -6.935 1.00 0.35 C ATOM 573 O ASP A 37 -16.172 3.654 -6.379 1.00 0.50 O ATOM 574 CB ASP A 37 -16.630 2.680 -9.422 1.00 0.49 C ATOM 575 CG ASP A 37 -16.343 4.156 -9.632 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.306 4.923 -9.862 1.00 1.88 O ATOM 577 OD2 ASP A 37 -15.160 4.548 -9.621 1.00 1.30 O ATOM 0 H ASP A 37 -18.427 4.107 -8.395 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.626 1.341 -8.072 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.697 2.121 -9.493 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.276 2.324 -10.225 1.00 0.49 H new ATOM 582 N LEU A 38 -15.608 1.492 -6.577 1.00 0.30 N ATOM 583 CA LEU A 38 -14.652 1.533 -5.480 1.00 0.31 C ATOM 584 C LEU A 38 -13.240 1.703 -6.030 1.00 0.28 C ATOM 585 O LEU A 38 -12.763 0.861 -6.794 1.00 0.29 O ATOM 586 CB LEU A 38 -14.749 0.239 -4.659 1.00 0.39 C ATOM 587 CG LEU A 38 -14.367 0.345 -3.176 1.00 0.42 C ATOM 588 CD1 LEU A 38 -12.906 0.724 -2.999 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.262 1.352 -2.478 1.00 1.32 C ATOM 0 H LEU A 38 -15.692 0.582 -7.030 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.882 2.380 -4.834 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.772 -0.131 -4.723 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.109 -0.511 -5.125 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.510 -0.636 -2.723 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.673 0.789 -1.936 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.275 -0.034 -3.463 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.721 1.689 -3.471 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.983 1.420 -1.427 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.146 2.329 -2.948 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.301 1.032 -2.558 1.00 1.32 H new ATOM 601 N GLU A 39 -12.580 2.786 -5.642 1.00 0.30 N ATOM 602 CA GLU A 39 -11.213 3.031 -6.073 1.00 0.32 C ATOM 603 C GLU A 39 -10.217 2.558 -5.021 1.00 0.31 C ATOM 604 O GLU A 39 -10.176 3.084 -3.906 1.00 0.43 O ATOM 605 CB GLU A 39 -10.983 4.514 -6.369 1.00 0.42 C ATOM 606 CG GLU A 39 -9.570 4.813 -6.850 1.00 0.50 C ATOM 607 CD GLU A 39 -9.363 6.265 -7.210 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.084 7.077 -6.303 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.488 6.611 -8.400 1.00 0.92 O ATOM 0 H GLU A 39 -12.968 3.505 -5.032 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.056 2.464 -6.990 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.695 4.842 -7.126 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.185 5.094 -5.468 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.860 4.533 -6.071 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.350 4.194 -7.720 1.00 0.50 H new ATOM 616 N TRP A 40 -9.435 1.552 -5.381 1.00 0.24 N ATOM 617 CA TRP A 40 -8.352 1.072 -4.540 1.00 0.23 C ATOM 618 C TRP A 40 -7.049 1.735 -4.968 1.00 0.24 C ATOM 619 O TRP A 40 -6.559 1.493 -6.068 1.00 0.28 O ATOM 620 CB TRP A 40 -8.210 -0.450 -4.660 1.00 0.24 C ATOM 621 CG TRP A 40 -9.414 -1.218 -4.213 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.567 -1.423 -4.914 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.579 -1.896 -2.963 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.442 -2.179 -4.173 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.857 -2.482 -2.973 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.771 -2.064 -1.836 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.346 -3.219 -1.901 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.258 -2.798 -0.773 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.535 -3.368 -0.813 1.00 0.40 C ATOM 0 H TRP A 40 -9.534 1.047 -6.262 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.576 1.323 -3.503 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -7.998 -0.703 -5.699 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.350 -0.770 -4.072 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.763 -1.046 -5.907 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.375 -2.467 -4.468 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.784 -1.628 -1.797 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.332 -3.658 -1.928 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.643 -2.934 0.104 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.887 -3.938 0.034 1.00 0.40 H new ATOM 640 N LYS A 41 -6.503 2.589 -4.123 1.00 0.25 N ATOM 641 CA LYS A 41 -5.240 3.242 -4.432 1.00 0.25 C ATOM 642 C LYS A 41 -4.138 2.782 -3.497 1.00 0.23 C ATOM 643 O LYS A 41 -4.342 2.664 -2.291 1.00 0.27 O ATOM 644 CB LYS A 41 -5.358 4.765 -4.347 1.00 0.37 C ATOM 645 CG LYS A 41 -5.629 5.441 -5.681 1.00 0.63 C ATOM 646 CD LYS A 41 -5.088 6.857 -5.696 1.00 0.65 C ATOM 647 CE LYS A 41 -5.544 7.615 -6.930 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.823 8.334 -6.703 1.00 1.23 N ATOM 0 H LYS A 41 -6.908 2.847 -3.223 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.987 2.961 -5.454 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.160 5.019 -3.654 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.436 5.168 -3.928 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.170 4.865 -6.484 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.702 5.456 -5.873 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.420 7.384 -4.801 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -3.999 6.832 -5.665 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -4.774 8.329 -7.221 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -5.663 6.918 -7.760 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.252 8.577 -7.619 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.473 7.725 -6.167 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -6.641 9.205 -6.164 1.00 1.23 H new ATOM 662 N ILE A 42 -2.972 2.523 -4.061 1.00 0.22 N ATOM 663 CA ILE A 42 -1.796 2.259 -3.258 1.00 0.24 C ATOM 664 C ILE A 42 -0.893 3.481 -3.283 1.00 0.25 C ATOM 665 O ILE A 42 -0.206 3.746 -4.273 1.00 0.31 O ATOM 666 CB ILE A 42 -1.002 1.021 -3.735 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.867 -0.242 -3.663 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.261 0.853 -2.899 1.00 0.37 C ATOM 669 CD1 ILE A 42 -1.076 -1.532 -3.755 1.00 0.46 C ATOM 0 H ILE A 42 -2.816 2.490 -5.068 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.137 2.045 -2.245 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.715 1.175 -4.775 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.426 -0.235 -2.727 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.598 -0.217 -4.471 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.812 -0.022 -3.244 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.886 1.740 -3.002 1.00 0.37 H new ATOM 0 HG23 ILE A 42 -0.011 0.721 -1.852 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.757 -2.381 -3.697 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.538 -1.562 -4.703 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.363 -1.581 -2.932 1.00 0.46 H new ATOM 681 N ILE A 43 -0.935 4.245 -2.206 1.00 0.24 N ATOM 682 CA ILE A 43 -0.112 5.428 -2.080 1.00 0.27 C ATOM 683 C ILE A 43 1.195 5.067 -1.398 1.00 0.26 C ATOM 684 O ILE A 43 1.206 4.430 -0.344 1.00 0.30 O ATOM 685 CB ILE A 43 -0.827 6.548 -1.286 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.112 6.969 -2.005 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.098 7.746 -1.092 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.873 8.073 -1.302 1.00 0.69 C ATOM 0 H ILE A 43 -1.536 4.063 -1.402 1.00 0.24 H new ATOM 0 HA ILE A 43 0.082 5.808 -3.083 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.091 6.161 -0.302 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.862 7.298 -3.013 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.762 6.100 -2.106 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.424 8.522 -0.532 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.985 7.435 -0.541 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.394 8.138 -2.065 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.770 8.316 -1.871 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.156 7.741 -0.303 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.242 8.958 -1.225 1.00 0.69 H new ATOM 700 N TYR A 44 2.289 5.447 -2.021 1.00 0.29 N ATOM 701 CA TYR A 44 3.602 5.168 -1.487 1.00 0.29 C ATOM 702 C TYR A 44 4.204 6.435 -0.910 1.00 0.28 C ATOM 703 O TYR A 44 4.190 7.485 -1.561 1.00 0.33 O ATOM 704 CB TYR A 44 4.513 4.625 -2.585 1.00 0.32 C ATOM 705 CG TYR A 44 5.719 3.883 -2.047 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.589 2.619 -1.486 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.986 4.450 -2.093 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.685 1.941 -0.989 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.089 3.776 -1.598 1.00 0.45 C ATOM 710 CZ TYR A 44 7.932 2.522 -1.048 1.00 0.49 C ATOM 711 OH TYR A 44 9.026 1.844 -0.556 1.00 0.59 O ATOM 0 H TYR A 44 2.293 5.955 -2.906 1.00 0.29 H new ATOM 0 HA TYR A 44 3.508 4.420 -0.700 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.939 3.956 -3.226 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.852 5.452 -3.209 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.614 2.158 -1.438 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.113 5.433 -2.522 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.564 0.959 -0.556 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.068 4.230 -1.643 1.00 0.45 H new ATOM 0 HH TYR A 44 9.847 2.269 -0.881 1.00 0.59 H new ATOM 721 N VAL A 45 4.713 6.345 0.307 1.00 0.27 N ATOM 722 CA VAL A 45 5.449 7.448 0.894 1.00 0.28 C ATOM 723 C VAL A 45 6.684 7.727 0.057 1.00 0.30 C ATOM 724 O VAL A 45 7.577 6.894 -0.035 1.00 0.36 O ATOM 725 CB VAL A 45 5.873 7.155 2.350 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.730 8.284 2.904 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.654 6.942 3.228 1.00 0.34 C ATOM 0 H VAL A 45 4.630 5.523 0.904 1.00 0.27 H new ATOM 0 HA VAL A 45 4.791 8.317 0.909 1.00 0.28 H new ATOM 0 HB VAL A 45 6.467 6.241 2.350 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.016 8.054 3.930 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.626 8.393 2.294 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.163 9.214 2.885 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.973 6.737 4.250 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.035 7.839 3.214 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.077 6.097 2.851 1.00 0.34 H new ATOM 737 N GLY A 46 6.706 8.876 -0.591 1.00 0.32 N ATOM 738 CA GLY A 46 7.848 9.229 -1.398 1.00 0.39 C ATOM 739 C GLY A 46 9.086 9.392 -0.555 1.00 0.41 C ATOM 740 O GLY A 46 10.115 8.798 -0.843 1.00 0.47 O ATOM 0 H GLY A 46 5.957 9.568 -0.573 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.017 8.458 -2.150 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.645 10.157 -1.933 1.00 0.39 H new ATOM 744 N SER A 47 8.968 10.179 0.502 1.00 0.43 N ATOM 745 CA SER A 47 10.075 10.439 1.390 1.00 0.48 C ATOM 746 C SER A 47 9.585 10.573 2.827 1.00 0.51 C ATOM 747 O SER A 47 8.552 11.192 3.077 1.00 0.49 O ATOM 748 CB SER A 47 10.770 11.727 0.943 1.00 0.53 C ATOM 749 OG SER A 47 11.782 12.121 1.847 1.00 1.23 O ATOM 0 H SER A 47 8.102 10.651 0.763 1.00 0.43 H new ATOM 0 HA SER A 47 10.779 9.608 1.351 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.204 11.581 -0.046 1.00 0.53 H new ATOM 0 HB3 SER A 47 10.033 12.525 0.853 1.00 0.53 H new ATOM 0 HG SER A 47 12.595 12.348 1.349 1.00 1.23 H new ATOM 755 N ALA A 48 10.306 9.975 3.767 1.00 0.62 N ATOM 756 CA ALA A 48 10.042 10.220 5.177 1.00 0.70 C ATOM 757 C ALA A 48 10.718 11.521 5.589 1.00 0.75 C ATOM 758 O ALA A 48 10.391 12.119 6.616 1.00 0.82 O ATOM 759 CB ALA A 48 10.524 9.059 6.033 1.00 0.81 C ATOM 0 H ALA A 48 11.069 9.324 3.581 1.00 0.62 H new ATOM 0 HA ALA A 48 8.967 10.308 5.332 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.314 9.269 7.082 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.006 8.147 5.735 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.597 8.928 5.897 1.00 0.81 H new ATOM 765 N GLU A 49 11.667 11.945 4.763 1.00 0.75 N ATOM 766 CA GLU A 49 12.342 13.223 4.925 1.00 0.83 C ATOM 767 C GLU A 49 11.370 14.353 4.585 1.00 0.82 C ATOM 768 O GLU A 49 11.337 15.390 5.249 1.00 0.93 O ATOM 769 CB GLU A 49 13.571 13.258 4.012 1.00 0.90 C ATOM 770 CG GLU A 49 14.406 14.519 4.114 1.00 1.06 C ATOM 771 CD GLU A 49 15.511 14.552 3.079 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.582 13.962 3.332 1.00 1.99 O ATOM 773 OE2 GLU A 49 15.326 15.179 2.017 1.00 1.96 O ATOM 0 H GLU A 49 11.990 11.408 3.958 1.00 0.75 H new ATOM 0 HA GLU A 49 12.672 13.352 5.956 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.203 12.401 4.245 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.242 13.140 2.980 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.764 15.391 3.987 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.841 14.586 5.111 1.00 1.06 H new ATOM 780 N SER A 50 10.582 14.140 3.538 1.00 0.74 N ATOM 781 CA SER A 50 9.483 15.027 3.212 1.00 0.79 C ATOM 782 C SER A 50 8.368 14.223 2.567 1.00 0.75 C ATOM 783 O SER A 50 8.492 13.757 1.434 1.00 1.26 O ATOM 784 CB SER A 50 9.943 16.149 2.285 1.00 0.96 C ATOM 785 OG SER A 50 8.871 17.011 1.947 1.00 1.72 O ATOM 0 H SER A 50 10.689 13.353 2.898 1.00 0.74 H new ATOM 0 HA SER A 50 9.114 15.488 4.128 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.734 16.722 2.769 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.369 15.722 1.377 1.00 0.96 H new ATOM 0 HG SER A 50 9.196 17.720 1.354 1.00 1.72 H new ATOM 791 N GLU A 51 7.276 14.053 3.294 1.00 0.78 N ATOM 792 CA GLU A 51 6.187 13.203 2.843 1.00 0.71 C ATOM 793 C GLU A 51 5.383 13.872 1.730 1.00 0.74 C ATOM 794 O GLU A 51 4.402 13.316 1.239 1.00 0.80 O ATOM 795 CB GLU A 51 5.271 12.857 4.011 1.00 0.85 C ATOM 796 CG GLU A 51 4.707 14.081 4.707 1.00 1.46 C ATOM 797 CD GLU A 51 3.710 13.720 5.782 1.00 1.68 C ATOM 798 OE1 GLU A 51 2.542 13.435 5.441 1.00 2.09 O ATOM 799 OE2 GLU A 51 4.085 13.726 6.973 1.00 2.02 O ATOM 0 H GLU A 51 7.120 14.493 4.201 1.00 0.78 H new ATOM 0 HA GLU A 51 6.622 12.287 2.443 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.448 12.240 3.649 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.824 12.258 4.734 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.523 14.653 5.149 1.00 1.46 H new ATOM 0 HG3 GLU A 51 4.227 14.726 3.971 1.00 1.46 H new ATOM 806 N GLU A 52 5.805 15.069 1.338 1.00 0.78 N ATOM 807 CA GLU A 52 5.192 15.776 0.220 1.00 0.89 C ATOM 808 C GLU A 52 5.539 15.083 -1.086 1.00 0.78 C ATOM 809 O GLU A 52 4.952 15.356 -2.131 1.00 0.85 O ATOM 810 CB GLU A 52 5.690 17.216 0.169 1.00 1.09 C ATOM 811 CG GLU A 52 5.369 18.019 1.404 1.00 1.70 C ATOM 812 CD GLU A 52 5.988 19.393 1.366 1.00 2.16 C ATOM 813 OE1 GLU A 52 5.533 20.233 0.565 1.00 2.43 O ATOM 814 OE2 GLU A 52 6.948 19.635 2.124 1.00 2.83 O ATOM 0 H GLU A 52 6.574 15.572 1.781 1.00 0.78 H new ATOM 0 HA GLU A 52 4.111 15.772 0.360 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.770 17.211 0.021 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.252 17.711 -0.698 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.288 18.112 1.504 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.726 17.486 2.285 1.00 1.70 H new ATOM 821 N TYR A 53 6.510 14.185 -1.008 1.00 0.65 N ATOM 822 CA TYR A 53 7.008 13.475 -2.173 1.00 0.61 C ATOM 823 C TYR A 53 6.231 12.178 -2.374 1.00 0.52 C ATOM 824 O TYR A 53 6.633 11.311 -3.149 1.00 0.52 O ATOM 825 CB TYR A 53 8.505 13.196 -1.997 1.00 0.62 C ATOM 826 CG TYR A 53 9.319 14.442 -1.721 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.906 15.677 -2.195 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.509 14.382 -1.005 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.645 16.815 -1.963 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.259 15.517 -0.773 1.00 1.01 C ATOM 831 CZ TYR A 53 10.804 16.726 -1.176 1.00 1.25 C ATOM 832 OH TYR A 53 11.569 17.865 -1.038 1.00 1.48 O ATOM 0 H TYR A 53 6.973 13.929 -0.136 1.00 0.65 H new ATOM 0 HA TYR A 53 6.867 14.090 -3.062 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.642 12.492 -1.176 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.886 12.714 -2.897 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.987 15.748 -2.757 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.852 13.432 -0.624 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.338 17.762 -2.380 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.211 15.440 -0.269 1.00 1.01 H new ATOM 0 HH TYR A 53 12.343 17.672 -0.469 1.00 1.48 H new ATOM 842 N ASP A 54 5.108 12.065 -1.667 1.00 0.52 N ATOM 843 CA ASP A 54 4.239 10.899 -1.757 1.00 0.52 C ATOM 844 C ASP A 54 3.754 10.695 -3.187 1.00 0.57 C ATOM 845 O ASP A 54 3.531 11.656 -3.927 1.00 0.68 O ATOM 846 CB ASP A 54 3.044 11.048 -0.809 1.00 0.65 C ATOM 847 CG ASP A 54 2.092 12.160 -1.218 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.529 13.329 -1.316 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.896 11.875 -1.425 1.00 1.22 O ATOM 0 H ASP A 54 4.778 12.779 -1.018 1.00 0.52 H new ATOM 0 HA ASP A 54 4.815 10.022 -1.461 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.498 10.106 -0.772 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.410 11.244 0.199 1.00 0.65 H new ATOM 854 N GLN A 55 3.605 9.443 -3.572 1.00 0.54 N ATOM 855 CA GLN A 55 3.247 9.107 -4.938 1.00 0.60 C ATOM 856 C GLN A 55 2.178 8.022 -4.958 1.00 0.46 C ATOM 857 O GLN A 55 1.968 7.331 -3.966 1.00 0.57 O ATOM 858 CB GLN A 55 4.494 8.649 -5.702 1.00 0.78 C ATOM 859 CG GLN A 55 5.144 7.403 -5.119 1.00 0.87 C ATOM 860 CD GLN A 55 6.520 7.139 -5.694 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.663 6.476 -6.719 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.546 7.647 -5.030 1.00 0.81 N ATOM 0 H GLN A 55 3.726 8.638 -2.957 1.00 0.54 H new ATOM 0 HA GLN A 55 2.840 9.993 -5.426 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.223 8.455 -6.740 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.223 9.459 -5.709 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.221 7.511 -4.037 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.504 6.541 -5.309 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.386 8.192 -4.183 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.497 7.494 -5.365 1.00 0.81 H new ATOM 871 N VAL A 56 1.513 7.877 -6.086 1.00 0.41 N ATOM 872 CA VAL A 56 0.473 6.882 -6.247 1.00 0.37 C ATOM 873 C VAL A 56 0.966 5.784 -7.174 1.00 0.36 C ATOM 874 O VAL A 56 1.235 6.031 -8.351 1.00 0.44 O ATOM 875 CB VAL A 56 -0.822 7.495 -6.822 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.877 6.419 -7.024 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.343 8.599 -5.911 1.00 1.08 C ATOM 0 H VAL A 56 1.678 8.445 -6.917 1.00 0.41 H new ATOM 0 HA VAL A 56 0.243 6.474 -5.263 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.594 7.935 -7.793 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.783 6.869 -7.430 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.502 5.668 -7.719 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.103 5.947 -6.068 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.256 9.019 -6.333 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.555 8.187 -4.925 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.591 9.383 -5.822 1.00 1.08 H new ATOM 887 N LEU A 57 1.098 4.585 -6.637 1.00 0.34 N ATOM 888 CA LEU A 57 1.621 3.462 -7.394 1.00 0.39 C ATOM 889 C LEU A 57 0.637 2.997 -8.454 1.00 0.36 C ATOM 890 O LEU A 57 0.983 2.893 -9.630 1.00 0.48 O ATOM 891 CB LEU A 57 1.963 2.309 -6.455 1.00 0.44 C ATOM 892 CG LEU A 57 3.258 2.487 -5.671 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.441 1.361 -4.669 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.427 2.533 -6.632 1.00 0.77 C ATOM 0 H LEU A 57 0.849 4.363 -5.673 1.00 0.34 H new ATOM 0 HA LEU A 57 2.526 3.795 -7.901 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.143 2.178 -5.750 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.031 1.391 -7.039 1.00 0.44 H new ATOM 0 HG LEU A 57 3.209 3.425 -5.117 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.372 1.509 -4.121 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.605 1.357 -3.970 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.478 0.408 -5.196 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.353 2.660 -6.072 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.470 1.602 -7.198 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.300 3.370 -7.319 1.00 0.77 H new ATOM 906 N ASP A 58 -0.589 2.725 -8.037 1.00 0.31 N ATOM 907 CA ASP A 58 -1.596 2.202 -8.946 1.00 0.35 C ATOM 908 C ASP A 58 -2.983 2.366 -8.339 1.00 0.33 C ATOM 909 O ASP A 58 -3.116 2.511 -7.120 1.00 0.33 O ATOM 910 CB ASP A 58 -1.304 0.726 -9.242 1.00 0.43 C ATOM 911 CG ASP A 58 -2.140 0.170 -10.375 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.832 0.460 -11.547 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.122 -0.553 -10.095 1.00 1.31 O ATOM 0 H ASP A 58 -0.910 2.857 -7.078 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.565 2.760 -9.882 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.248 0.613 -9.488 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.486 0.138 -8.342 1.00 0.43 H new ATOM 918 N SER A 59 -4.005 2.373 -9.182 1.00 0.42 N ATOM 919 CA SER A 59 -5.376 2.484 -8.720 1.00 0.43 C ATOM 920 C SER A 59 -6.265 1.483 -9.449 1.00 0.46 C ATOM 921 O SER A 59 -6.392 1.522 -10.675 1.00 0.58 O ATOM 922 CB SER A 59 -5.898 3.914 -8.910 1.00 0.52 C ATOM 923 OG SER A 59 -5.765 4.349 -10.256 1.00 1.09 O ATOM 0 H SER A 59 -3.907 2.303 -10.195 1.00 0.42 H new ATOM 0 HA SER A 59 -5.401 2.254 -7.655 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.946 3.961 -8.615 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.351 4.591 -8.253 1.00 0.52 H new ATOM 0 HG SER A 59 -5.902 3.590 -10.860 1.00 1.09 H new ATOM 929 N VAL A 60 -6.861 0.577 -8.692 1.00 0.39 N ATOM 930 CA VAL A 60 -7.758 -0.423 -9.250 1.00 0.45 C ATOM 931 C VAL A 60 -9.190 -0.140 -8.816 1.00 0.38 C ATOM 932 O VAL A 60 -9.503 -0.154 -7.628 1.00 0.39 O ATOM 933 CB VAL A 60 -7.361 -1.855 -8.825 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.344 -2.876 -9.378 1.00 1.22 C ATOM 935 CG2 VAL A 60 -5.947 -2.178 -9.289 1.00 1.11 C ATOM 0 H VAL A 60 -6.739 0.513 -7.681 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.681 -0.362 -10.336 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.390 -1.905 -7.737 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.044 -3.876 -9.066 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.343 -2.662 -8.998 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.350 -2.822 -10.467 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.685 -3.190 -8.981 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.895 -2.105 -10.375 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.247 -1.471 -8.844 1.00 1.11 H new ATOM 945 N LEU A 61 -10.049 0.142 -9.781 1.00 0.40 N ATOM 946 CA LEU A 61 -11.434 0.480 -9.494 1.00 0.39 C ATOM 947 C LEU A 61 -12.376 -0.618 -9.972 1.00 0.38 C ATOM 948 O LEU A 61 -12.268 -1.090 -11.105 1.00 0.57 O ATOM 949 CB LEU A 61 -11.817 1.808 -10.152 1.00 0.51 C ATOM 950 CG LEU A 61 -11.100 3.049 -9.606 1.00 0.62 C ATOM 951 CD1 LEU A 61 -9.704 3.186 -10.193 1.00 1.31 C ATOM 952 CD2 LEU A 61 -11.925 4.290 -9.885 1.00 1.34 C ATOM 0 H LEU A 61 -9.811 0.144 -10.773 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.530 0.578 -8.413 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.616 1.735 -11.221 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.892 1.952 -10.039 1.00 0.51 H new ATOM 0 HG LEU A 61 -10.991 2.933 -8.528 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.224 4.075 -9.785 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -9.114 2.306 -9.938 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -9.772 3.275 -11.277 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.408 5.166 -9.494 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -12.064 4.401 -10.960 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.897 4.197 -9.402 1.00 1.34 H new ATOM 964 N VAL A 62 -13.293 -1.030 -9.104 1.00 0.27 N ATOM 965 CA VAL A 62 -14.322 -1.985 -9.491 1.00 0.27 C ATOM 966 C VAL A 62 -15.700 -1.328 -9.395 1.00 0.26 C ATOM 967 O VAL A 62 -16.220 -1.093 -8.306 1.00 0.30 O ATOM 968 CB VAL A 62 -14.286 -3.247 -8.596 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.353 -4.246 -9.023 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.905 -3.892 -8.625 1.00 0.59 C ATOM 0 H VAL A 62 -13.344 -0.719 -8.134 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.128 -2.291 -10.519 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.498 -2.939 -7.572 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.308 -5.124 -8.379 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.337 -3.785 -8.939 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.179 -4.545 -10.057 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.903 -4.777 -7.989 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.659 -4.179 -9.647 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.164 -3.181 -8.260 1.00 0.59 H new ATOM 980 N GLY A 63 -16.245 -0.977 -10.548 1.00 0.28 N ATOM 981 CA GLY A 63 -17.559 -0.379 -10.623 1.00 0.33 C ATOM 982 C GLY A 63 -18.623 -1.343 -11.145 1.00 0.36 C ATOM 983 O GLY A 63 -18.510 -1.795 -12.285 1.00 0.42 O ATOM 0 H GLY A 63 -15.788 -1.100 -11.452 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.849 -0.027 -9.633 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.518 0.495 -11.273 1.00 0.33 H new ATOM 987 N PRO A 64 -19.663 -1.700 -10.371 1.00 0.39 N ATOM 988 CA PRO A 64 -19.766 -1.490 -8.937 1.00 0.39 C ATOM 989 C PRO A 64 -19.479 -2.789 -8.185 1.00 0.38 C ATOM 990 O PRO A 64 -19.440 -3.866 -8.786 1.00 0.41 O ATOM 991 CB PRO A 64 -21.232 -1.085 -8.785 1.00 0.48 C ATOM 992 CG PRO A 64 -21.954 -1.780 -9.903 1.00 0.55 C ATOM 993 CD PRO A 64 -20.908 -2.295 -10.871 1.00 0.48 C ATOM 0 HA PRO A 64 -19.063 -0.758 -8.540 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.625 -1.388 -7.815 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.350 -0.004 -8.853 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.557 -2.602 -9.517 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.635 -1.093 -10.405 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.862 -3.384 -10.871 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.119 -1.985 -11.894 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.266 -2.702 -6.889 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.959 -3.893 -6.115 1.00 0.40 C ATOM 1003 C VAL A 65 -20.163 -4.311 -5.276 1.00 0.41 C ATOM 1004 O VAL A 65 -20.557 -3.606 -4.348 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.733 -3.687 -5.206 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.903 -4.957 -5.160 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.888 -2.514 -5.685 1.00 0.95 C ATOM 0 H VAL A 65 -19.298 -1.835 -6.353 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.721 -4.686 -6.824 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.084 -3.457 -4.200 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.038 -4.803 -4.515 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.509 -5.773 -4.766 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.566 -5.208 -6.166 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.029 -2.391 -5.025 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.541 -2.706 -6.700 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.488 -1.604 -5.673 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.781 -5.453 -5.619 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.968 -5.958 -4.930 1.00 0.48 C ATOM 1019 C PRO A 66 -21.639 -6.657 -3.625 1.00 0.39 C ATOM 1020 O PRO A 66 -20.519 -7.139 -3.431 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.578 -6.956 -5.929 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.714 -6.905 -7.151 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.395 -6.338 -6.718 1.00 0.46 C ATOM 0 HA PRO A 66 -22.640 -5.145 -4.654 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.600 -7.962 -5.510 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.607 -6.688 -6.168 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -21.587 -7.900 -7.578 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -22.169 -6.283 -7.922 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.706 -7.116 -6.390 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.902 -5.794 -7.524 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.637 -6.719 -2.748 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.480 -7.298 -1.423 1.00 0.36 C ATOM 1033 C ALA A 67 -21.928 -8.711 -1.496 1.00 0.34 C ATOM 1034 O ALA A 67 -22.373 -9.528 -2.306 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.804 -7.291 -0.683 1.00 0.40 C ATOM 0 H ALA A 67 -23.576 -6.369 -2.938 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.763 -6.685 -0.876 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.670 -7.727 0.307 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.159 -6.265 -0.582 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.536 -7.875 -1.241 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.946 -8.980 -0.660 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.339 -10.287 -0.619 1.00 0.33 C ATOM 1043 C GLY A 68 -18.837 -10.193 -0.509 1.00 0.27 C ATOM 1044 O GLY A 68 -18.253 -9.144 -0.770 1.00 0.26 O ATOM 0 H GLY A 68 -20.554 -8.308 -0.001 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.733 -10.846 0.229 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.605 -10.842 -1.518 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.213 -11.284 -0.119 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.774 -11.313 0.050 1.00 0.26 C ATOM 1050 C ARG A 69 -16.085 -11.582 -1.284 1.00 0.26 C ATOM 1051 O ARG A 69 -16.313 -12.612 -1.916 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.408 -12.375 1.087 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.921 -12.535 1.328 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.666 -13.333 2.594 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.476 -14.546 2.642 1.00 1.24 N ATOM 1056 CZ ARG A 69 -16.107 -14.980 3.732 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -15.953 -14.352 4.894 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.881 -16.057 3.657 1.00 2.78 N ATOM 0 H ARG A 69 -18.681 -12.166 0.088 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.430 -10.342 0.407 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.891 -12.123 2.031 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.816 -13.333 0.766 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.461 -13.037 0.477 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.453 -11.554 1.410 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.610 -13.598 2.650 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -14.886 -12.714 3.464 1.00 0.48 H new ATOM 0 HE ARG A 69 -15.565 -15.096 1.787 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.349 -13.533 4.955 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -16.439 -14.690 5.725 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.989 -16.546 2.769 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -17.367 -16.395 4.488 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.272 -10.629 -1.720 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.542 -10.751 -2.976 1.00 0.24 C ATOM 1074 C HIS A 70 -13.051 -10.891 -2.692 1.00 0.25 C ATOM 1075 O HIS A 70 -12.533 -10.274 -1.760 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.784 -9.533 -3.878 1.00 0.30 C ATOM 1077 CG HIS A 70 -16.225 -9.304 -4.232 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.827 -9.831 -5.358 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.183 -8.582 -3.602 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -18.089 -9.438 -5.403 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.328 -8.681 -4.348 1.00 0.47 N ATOM 0 H HIS A 70 -15.100 -9.757 -1.219 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.903 -11.638 -3.496 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.399 -8.644 -3.379 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -14.211 -9.656 -4.797 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.066 -8.030 -2.681 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.803 -9.693 -6.172 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.221 -8.241 -4.124 1.00 0.47 H new ATOM 1090 N MET A 71 -12.378 -11.700 -3.489 1.00 0.33 N ATOM 1091 CA MET A 71 -10.964 -11.982 -3.291 1.00 0.38 C ATOM 1092 C MET A 71 -10.175 -11.636 -4.551 1.00 0.38 C ATOM 1093 O MET A 71 -10.265 -12.341 -5.556 1.00 0.48 O ATOM 1094 CB MET A 71 -10.803 -13.465 -2.941 1.00 0.47 C ATOM 1095 CG MET A 71 -9.368 -13.922 -2.749 1.00 0.60 C ATOM 1096 SD MET A 71 -9.256 -15.693 -2.409 1.00 0.80 S ATOM 1097 CE MET A 71 -7.480 -15.912 -2.339 1.00 1.80 C ATOM 0 H MET A 71 -12.791 -12.179 -4.289 1.00 0.33 H new ATOM 0 HA MET A 71 -10.575 -11.373 -2.475 1.00 0.38 H new ATOM 0 HB2 MET A 71 -11.360 -13.671 -2.027 1.00 0.47 H new ATOM 0 HB3 MET A 71 -11.257 -14.062 -3.732 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.791 -13.688 -3.644 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.919 -13.367 -1.926 1.00 0.60 H new ATOM 0 HE1 MET A 71 -7.243 -16.976 -2.368 1.00 1.80 H new ATOM 0 HE2 MET A 71 -7.018 -15.414 -3.192 1.00 1.80 H new ATOM 0 HE3 MET A 71 -7.096 -15.480 -1.415 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.422 -10.544 -4.514 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.670 -10.113 -5.688 1.00 0.31 C ATOM 1109 C PHE A 72 -7.267 -9.668 -5.293 1.00 0.29 C ATOM 1110 O PHE A 72 -7.046 -9.183 -4.183 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.401 -8.978 -6.432 1.00 0.33 C ATOM 1112 CG PHE A 72 -9.163 -7.597 -5.872 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.755 -7.215 -4.677 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.357 -6.683 -6.535 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.549 -5.954 -4.155 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -8.149 -5.419 -6.015 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.705 -5.048 -4.859 1.00 0.29 C ATOM 0 H PHE A 72 -9.315 -9.946 -3.695 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.590 -10.965 -6.363 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.091 -8.989 -7.477 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.472 -9.182 -6.415 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.386 -7.914 -4.148 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.887 -6.962 -7.467 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -10.020 -5.659 -3.229 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.526 -4.720 -6.553 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.515 -4.063 -4.459 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.324 -9.830 -6.205 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.956 -9.433 -5.950 1.00 0.29 C ATOM 1129 C VAL A 73 -4.652 -8.074 -6.566 1.00 0.30 C ATOM 1130 O VAL A 73 -4.975 -7.806 -7.723 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.939 -10.479 -6.458 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.913 -11.689 -5.538 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.257 -10.907 -7.880 1.00 1.00 C ATOM 0 H VAL A 73 -6.484 -10.234 -7.128 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.852 -9.363 -4.867 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.953 -10.015 -6.455 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.191 -12.415 -5.912 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.627 -11.376 -4.534 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.903 -12.144 -5.508 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.525 -11.643 -8.211 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.254 -11.346 -7.913 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.221 -10.039 -8.538 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.051 -7.218 -5.762 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.625 -5.904 -6.196 1.00 0.25 C ATOM 1145 C PHE A 74 -2.103 -5.897 -6.256 1.00 0.25 C ATOM 1146 O PHE A 74 -1.437 -6.296 -5.299 1.00 0.31 O ATOM 1147 CB PHE A 74 -4.133 -4.845 -5.207 1.00 0.28 C ATOM 1148 CG PHE A 74 -4.035 -3.415 -5.683 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.886 -2.974 -6.317 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -5.088 -2.526 -5.528 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.786 -1.678 -6.779 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.997 -1.228 -5.993 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.864 -0.763 -6.498 1.00 0.31 C ATOM 0 H PHE A 74 -3.844 -7.417 -4.783 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.032 -5.672 -7.180 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -5.175 -5.062 -4.972 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.571 -4.940 -4.278 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.057 -3.653 -6.452 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.992 -2.853 -5.037 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.920 -1.356 -7.338 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.862 -0.583 -5.944 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.749 0.292 -6.697 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.554 -5.459 -7.375 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.112 -5.436 -7.545 1.00 0.27 C ATOM 1165 C GLN A 75 0.340 -4.073 -8.033 1.00 0.32 C ATOM 1166 O GLN A 75 -0.196 -3.537 -9.005 1.00 0.41 O ATOM 1167 CB GLN A 75 0.345 -6.524 -8.518 1.00 0.32 C ATOM 1168 CG GLN A 75 0.044 -7.935 -8.039 1.00 0.49 C ATOM 1169 CD GLN A 75 0.644 -8.998 -8.937 1.00 0.52 C ATOM 1170 OE1 GLN A 75 1.767 -9.454 -8.716 1.00 1.14 O ATOM 1171 NE2 GLN A 75 -0.095 -9.393 -9.962 1.00 1.12 N ATOM 0 H GLN A 75 -2.082 -5.116 -8.177 1.00 0.24 H new ATOM 0 HA GLN A 75 0.345 -5.634 -6.575 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.140 -6.365 -9.481 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.418 -6.426 -8.681 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.429 -8.061 -7.027 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.036 -8.075 -7.989 1.00 0.49 H new ATOM 0 HE21 GLN A 75 -1.020 -8.990 -10.109 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.261 -10.101 -10.605 1.00 1.12 H new ATOM 1180 N ALA A 76 1.310 -3.513 -7.337 1.00 0.36 N ATOM 1181 CA ALA A 76 1.874 -2.229 -7.703 1.00 0.46 C ATOM 1182 C ALA A 76 3.372 -2.362 -7.919 1.00 0.40 C ATOM 1183 O ALA A 76 4.076 -2.928 -7.084 1.00 0.48 O ATOM 1184 CB ALA A 76 1.578 -1.196 -6.632 1.00 0.56 C ATOM 0 H ALA A 76 1.727 -3.933 -6.506 1.00 0.36 H new ATOM 0 HA ALA A 76 1.416 -1.895 -8.634 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.008 -0.238 -6.922 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.499 -1.090 -6.517 1.00 0.56 H new ATOM 0 HB3 ALA A 76 2.013 -1.518 -5.686 1.00 0.56 H new ATOM 1190 N ASP A 77 3.855 -1.845 -9.039 1.00 0.56 N ATOM 1191 CA ASP A 77 5.262 -1.987 -9.408 1.00 0.61 C ATOM 1192 C ASP A 77 6.148 -1.111 -8.521 1.00 0.43 C ATOM 1193 O ASP A 77 5.668 -0.492 -7.569 1.00 0.47 O ATOM 1194 CB ASP A 77 5.453 -1.618 -10.880 1.00 0.95 C ATOM 1195 CG ASP A 77 6.650 -2.310 -11.502 1.00 1.54 C ATOM 1196 OD1 ASP A 77 6.489 -3.439 -12.010 1.00 2.13 O ATOM 1197 OD2 ASP A 77 7.753 -1.724 -11.496 1.00 2.06 O ATOM 0 H ASP A 77 3.295 -1.322 -9.712 1.00 0.56 H new ATOM 0 HA ASP A 77 5.557 -3.026 -9.260 1.00 0.61 H new ATOM 0 HB2 ASP A 77 4.554 -1.883 -11.437 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.576 -0.538 -10.968 1.00 0.95 H new ATOM 1202 N ALA A 78 7.434 -1.052 -8.840 1.00 0.45 N ATOM 1203 CA ALA A 78 8.389 -0.319 -8.038 1.00 0.36 C ATOM 1204 C ALA A 78 8.171 1.179 -8.167 1.00 0.37 C ATOM 1205 O ALA A 78 8.091 1.710 -9.278 1.00 0.46 O ATOM 1206 CB ALA A 78 9.803 -0.688 -8.450 1.00 0.40 C ATOM 0 H ALA A 78 7.837 -1.510 -9.658 1.00 0.45 H new ATOM 0 HA ALA A 78 8.242 -0.590 -6.992 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.516 -0.132 -7.841 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.957 -1.757 -8.304 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.952 -0.440 -9.501 1.00 0.40 H new ATOM 1212 N PRO A 79 8.038 1.869 -7.026 1.00 0.34 N ATOM 1213 CA PRO A 79 7.909 3.329 -6.981 1.00 0.43 C ATOM 1214 C PRO A 79 9.063 4.036 -7.684 1.00 0.41 C ATOM 1215 O PRO A 79 10.114 3.442 -7.930 1.00 0.47 O ATOM 1216 CB PRO A 79 7.935 3.645 -5.486 1.00 0.47 C ATOM 1217 CG PRO A 79 7.488 2.390 -4.823 1.00 0.53 C ATOM 1218 CD PRO A 79 7.981 1.267 -5.685 1.00 0.33 C ATOM 0 HA PRO A 79 7.007 3.669 -7.490 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.935 3.930 -5.160 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.272 4.477 -5.246 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.895 2.315 -3.815 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.402 2.363 -4.731 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.959 0.912 -5.362 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.306 0.412 -5.656 1.00 0.33 H new ATOM 1226 N ASN A 80 8.861 5.307 -7.998 1.00 0.43 N ATOM 1227 CA ASN A 80 9.874 6.095 -8.690 1.00 0.46 C ATOM 1228 C ASN A 80 11.110 6.259 -7.815 1.00 0.40 C ATOM 1229 O ASN A 80 11.045 6.870 -6.745 1.00 0.39 O ATOM 1230 CB ASN A 80 9.333 7.476 -9.065 1.00 0.56 C ATOM 1231 CG ASN A 80 8.129 7.426 -9.984 1.00 1.33 C ATOM 1232 OD1 ASN A 80 8.266 7.352 -11.203 1.00 2.19 O ATOM 1233 ND2 ASN A 80 6.941 7.489 -9.405 1.00 1.59 N ATOM 0 H ASN A 80 8.004 5.817 -7.785 1.00 0.43 H new ATOM 0 HA ASN A 80 10.143 5.562 -9.602 1.00 0.46 H new ATOM 0 HB2 ASN A 80 9.063 8.011 -8.154 1.00 0.56 H new ATOM 0 HB3 ASN A 80 10.125 8.049 -9.548 1.00 0.56 H new ATOM 0 HD21 ASN A 80 6.095 7.477 -9.974 1.00 1.59 H new ATOM 0 HD22 ASN A 80 6.871 7.550 -8.389 1.00 1.59 H new ATOM 1240 N PRO A 81 12.254 5.726 -8.262 1.00 0.41 N ATOM 1241 CA PRO A 81 13.509 5.791 -7.507 1.00 0.41 C ATOM 1242 C PRO A 81 14.069 7.207 -7.434 1.00 0.43 C ATOM 1243 O PRO A 81 14.940 7.501 -6.617 1.00 0.48 O ATOM 1244 CB PRO A 81 14.451 4.877 -8.292 1.00 0.47 C ATOM 1245 CG PRO A 81 13.898 4.848 -9.674 1.00 0.54 C ATOM 1246 CD PRO A 81 12.411 5.005 -9.539 1.00 0.48 C ATOM 0 HA PRO A 81 13.374 5.487 -6.469 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.471 5.261 -8.283 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.483 3.877 -7.859 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.320 5.651 -10.278 1.00 0.54 H new ATOM 0 HG3 PRO A 81 14.146 3.911 -10.172 1.00 0.54 H new ATOM 0 HD2 PRO A 81 11.990 5.568 -10.372 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.906 4.039 -9.519 1.00 0.48 H new ATOM 1254 N GLY A 82 13.562 8.082 -8.293 1.00 0.45 N ATOM 1255 CA GLY A 82 13.965 9.471 -8.262 1.00 0.49 C ATOM 1256 C GLY A 82 13.102 10.272 -7.317 1.00 0.48 C ATOM 1257 O GLY A 82 13.366 11.447 -7.056 1.00 0.51 O ATOM 0 H GLY A 82 12.877 7.852 -9.012 1.00 0.45 H new ATOM 0 HA2 GLY A 82 15.008 9.542 -7.954 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.899 9.893 -9.265 1.00 0.49 H new ATOM 1261 N LEU A 83 12.062 9.630 -6.807 1.00 0.46 N ATOM 1262 CA LEU A 83 11.162 10.268 -5.855 1.00 0.49 C ATOM 1263 C LEU A 83 11.523 9.870 -4.430 1.00 0.46 C ATOM 1264 O LEU A 83 11.219 10.593 -3.482 1.00 0.52 O ATOM 1265 CB LEU A 83 9.696 9.915 -6.153 1.00 0.52 C ATOM 1266 CG LEU A 83 8.985 10.808 -7.179 1.00 0.58 C ATOM 1267 CD1 LEU A 83 9.716 10.813 -8.513 1.00 1.60 C ATOM 1268 CD2 LEU A 83 7.541 10.362 -7.361 1.00 1.34 C ATOM 0 H LEU A 83 11.819 8.666 -7.036 1.00 0.46 H new ATOM 0 HA LEU A 83 11.277 11.347 -5.958 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.656 8.885 -6.507 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.137 9.953 -5.218 1.00 0.52 H new ATOM 0 HG LEU A 83 8.991 11.828 -6.795 1.00 0.58 H new ATOM 0 HD11 LEU A 83 9.186 11.455 -9.216 1.00 1.60 H new ATOM 0 HD12 LEU A 83 10.729 11.189 -8.371 1.00 1.60 H new ATOM 0 HD13 LEU A 83 9.758 9.798 -8.909 1.00 1.60 H new ATOM 0 HD21 LEU A 83 7.051 11.005 -8.092 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.520 9.331 -7.714 1.00 1.34 H new ATOM 0 HD23 LEU A 83 7.016 10.430 -6.408 1.00 1.34 H new ATOM 1280 N ILE A 84 12.167 8.716 -4.281 1.00 0.41 N ATOM 1281 CA ILE A 84 12.603 8.260 -2.971 1.00 0.40 C ATOM 1282 C ILE A 84 13.926 8.926 -2.587 1.00 0.46 C ATOM 1283 O ILE A 84 14.887 8.912 -3.358 1.00 0.52 O ATOM 1284 CB ILE A 84 12.744 6.724 -2.926 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.430 6.066 -3.357 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.132 6.260 -1.527 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.463 4.552 -3.310 1.00 0.33 C ATOM 0 H ILE A 84 12.396 8.085 -5.049 1.00 0.41 H new ATOM 0 HA ILE A 84 11.839 8.547 -2.248 1.00 0.40 H new ATOM 0 HB ILE A 84 13.534 6.427 -3.616 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.627 6.423 -2.713 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.190 6.384 -4.372 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.226 5.174 -1.517 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.084 6.710 -1.246 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.363 6.564 -0.817 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.498 4.157 -3.628 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.244 4.184 -3.976 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.671 4.224 -2.292 1.00 0.33 H new ATOM 1299 N PRO A 85 13.965 9.531 -1.387 1.00 0.48 N ATOM 1300 CA PRO A 85 15.111 10.297 -0.887 1.00 0.57 C ATOM 1301 C PRO A 85 16.422 9.529 -0.915 1.00 0.56 C ATOM 1302 O PRO A 85 16.461 8.322 -0.683 1.00 0.55 O ATOM 1303 CB PRO A 85 14.745 10.614 0.568 1.00 0.68 C ATOM 1304 CG PRO A 85 13.546 9.785 0.878 1.00 0.81 C ATOM 1305 CD PRO A 85 12.868 9.520 -0.426 1.00 0.50 C ATOM 0 HA PRO A 85 15.279 11.172 -1.515 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.570 10.374 1.239 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.529 11.675 0.694 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.834 8.852 1.363 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.879 10.308 1.563 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.348 8.562 -0.421 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.126 10.284 -0.655 1.00 0.50 H new ATOM 1313 N ASP A 86 17.496 10.259 -1.165 1.00 0.67 N ATOM 1314 CA ASP A 86 18.834 9.691 -1.222 1.00 0.76 C ATOM 1315 C ASP A 86 19.238 9.107 0.124 1.00 0.78 C ATOM 1316 O ASP A 86 19.879 8.062 0.195 1.00 0.86 O ATOM 1317 CB ASP A 86 19.851 10.766 -1.620 1.00 0.98 C ATOM 1318 CG ASP A 86 19.468 11.499 -2.888 1.00 1.52 C ATOM 1319 OD1 ASP A 86 18.608 12.399 -2.827 1.00 2.29 O ATOM 1320 OD2 ASP A 86 20.018 11.168 -3.960 1.00 1.92 O ATOM 0 H ASP A 86 17.465 11.264 -1.335 1.00 0.67 H new ATOM 0 HA ASP A 86 18.824 8.896 -1.967 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.949 11.485 -0.807 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.828 10.302 -1.755 1.00 0.98 H new ATOM 1325 N ALA A 87 18.852 9.777 1.198 1.00 0.83 N ATOM 1326 CA ALA A 87 19.311 9.389 2.521 1.00 0.99 C ATOM 1327 C ALA A 87 18.302 8.506 3.240 1.00 0.90 C ATOM 1328 O ALA A 87 18.670 7.723 4.114 1.00 1.07 O ATOM 1329 CB ALA A 87 19.612 10.623 3.354 1.00 1.25 C ATOM 0 H ALA A 87 18.228 10.584 1.181 1.00 0.83 H new ATOM 0 HA ALA A 87 20.223 8.806 2.392 1.00 0.99 H new ATOM 0 HB1 ALA A 87 19.955 10.320 4.343 1.00 1.25 H new ATOM 0 HB2 ALA A 87 20.389 11.211 2.865 1.00 1.25 H new ATOM 0 HB3 ALA A 87 18.709 11.225 3.452 1.00 1.25 H new ATOM 1335 N ASP A 88 17.039 8.619 2.869 1.00 0.76 N ATOM 1336 CA ASP A 88 15.978 7.938 3.602 1.00 0.78 C ATOM 1337 C ASP A 88 15.551 6.638 2.916 1.00 0.62 C ATOM 1338 O ASP A 88 14.837 5.823 3.499 1.00 0.64 O ATOM 1339 CB ASP A 88 14.791 8.885 3.770 1.00 0.99 C ATOM 1340 CG ASP A 88 13.674 8.300 4.604 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.861 8.154 5.826 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.617 7.958 4.028 1.00 1.94 O ATOM 0 H ASP A 88 16.721 9.170 2.072 1.00 0.76 H new ATOM 0 HA ASP A 88 16.361 7.661 4.584 1.00 0.78 H new ATOM 0 HB2 ASP A 88 15.135 9.810 4.233 1.00 0.99 H new ATOM 0 HB3 ASP A 88 14.402 9.147 2.786 1.00 0.99 H new ATOM 1347 N ALA A 89 16.011 6.434 1.682 1.00 0.54 N ATOM 1348 CA ALA A 89 15.708 5.209 0.938 1.00 0.49 C ATOM 1349 C ALA A 89 16.252 3.975 1.649 1.00 0.44 C ATOM 1350 O ALA A 89 15.778 2.863 1.435 1.00 0.51 O ATOM 1351 CB ALA A 89 16.282 5.285 -0.466 1.00 0.48 C ATOM 0 H ALA A 89 16.595 7.100 1.176 1.00 0.54 H new ATOM 0 HA ALA A 89 14.623 5.120 0.881 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.048 4.367 -1.005 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.847 6.135 -0.991 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.364 5.407 -0.411 1.00 0.48 H new ATOM 1357 N VAL A 90 17.246 4.181 2.499 1.00 0.41 N ATOM 1358 CA VAL A 90 17.872 3.088 3.224 1.00 0.43 C ATOM 1359 C VAL A 90 17.242 2.962 4.624 1.00 0.43 C ATOM 1360 O VAL A 90 17.933 2.705 5.613 1.00 0.49 O ATOM 1361 CB VAL A 90 19.397 3.322 3.363 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.118 2.038 3.758 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.976 3.879 2.070 1.00 0.54 C ATOM 0 H VAL A 90 17.638 5.100 2.704 1.00 0.41 H new ATOM 0 HA VAL A 90 17.710 2.167 2.664 1.00 0.43 H new ATOM 0 HB VAL A 90 19.550 4.054 4.156 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.187 2.234 3.848 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.732 1.683 4.714 1.00 0.56 H new ATOM 0 HG13 VAL A 90 19.951 1.278 2.995 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.048 4.036 2.189 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.801 3.172 1.259 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.494 4.828 1.835 1.00 0.54 H new ATOM 1373 N GLY A 91 15.926 3.128 4.704 1.00 0.42 N ATOM 1374 CA GLY A 91 15.265 3.186 5.999 1.00 0.46 C ATOM 1375 C GLY A 91 13.891 2.542 5.997 1.00 0.43 C ATOM 1376 O GLY A 91 13.737 1.392 5.590 1.00 0.62 O ATOM 0 H GLY A 91 15.306 3.223 3.900 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.890 2.691 6.742 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.171 4.228 6.305 1.00 0.46 H new ATOM 1380 N VAL A 92 12.889 3.281 6.458 1.00 0.40 N ATOM 1381 CA VAL A 92 11.527 2.762 6.527 1.00 0.38 C ATOM 1382 C VAL A 92 10.572 3.636 5.711 1.00 0.36 C ATOM 1383 O VAL A 92 10.538 4.860 5.857 1.00 0.55 O ATOM 1384 CB VAL A 92 11.030 2.637 7.991 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.051 3.978 8.709 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.633 2.027 8.037 1.00 1.23 C ATOM 0 H VAL A 92 12.993 4.240 6.789 1.00 0.40 H new ATOM 0 HA VAL A 92 11.540 1.760 6.097 1.00 0.38 H new ATOM 0 HB VAL A 92 11.718 1.972 8.513 1.00 0.50 H new ATOM 0 HG11 VAL A 92 10.696 3.849 9.731 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.069 4.366 8.725 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.403 4.681 8.186 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.304 1.949 9.073 1.00 1.23 H new ATOM 0 HG22 VAL A 92 8.941 2.661 7.484 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.654 1.034 7.587 1.00 1.23 H new ATOM 1396 N THR A 93 9.810 3.001 4.841 1.00 0.28 N ATOM 1397 CA THR A 93 8.882 3.702 3.980 1.00 0.28 C ATOM 1398 C THR A 93 7.514 3.043 4.058 1.00 0.27 C ATOM 1399 O THR A 93 7.402 1.824 3.963 1.00 0.41 O ATOM 1400 CB THR A 93 9.365 3.680 2.527 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.792 3.838 2.486 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.714 4.795 1.735 1.00 0.59 C ATOM 0 H THR A 93 9.818 1.989 4.713 1.00 0.28 H new ATOM 0 HA THR A 93 8.819 4.737 4.316 1.00 0.28 H new ATOM 0 HB THR A 93 9.089 2.723 2.085 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.079 3.982 1.560 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.069 4.764 0.705 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.632 4.668 1.750 1.00 0.59 H new ATOM 0 HG23 THR A 93 8.973 5.756 2.179 1.00 0.59 H new ATOM 1410 N VAL A 94 6.481 3.835 4.249 1.00 0.25 N ATOM 1411 CA VAL A 94 5.142 3.294 4.390 1.00 0.25 C ATOM 1412 C VAL A 94 4.470 3.103 3.031 1.00 0.24 C ATOM 1413 O VAL A 94 4.565 3.958 2.146 1.00 0.28 O ATOM 1414 CB VAL A 94 4.264 4.195 5.277 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.908 3.554 5.518 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.960 4.496 6.595 1.00 0.32 C ATOM 0 H VAL A 94 6.539 4.851 4.310 1.00 0.25 H new ATOM 0 HA VAL A 94 5.244 2.320 4.869 1.00 0.25 H new ATOM 0 HB VAL A 94 4.106 5.138 4.754 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.303 4.207 6.147 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.404 3.400 4.564 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.043 2.594 6.016 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.322 5.134 7.206 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.155 3.564 7.125 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.903 5.006 6.400 1.00 0.32 H new ATOM 1426 N VAL A 95 3.797 1.972 2.874 1.00 0.22 N ATOM 1427 CA VAL A 95 3.001 1.709 1.695 1.00 0.22 C ATOM 1428 C VAL A 95 1.560 1.508 2.137 1.00 0.24 C ATOM 1429 O VAL A 95 1.252 0.602 2.914 1.00 0.34 O ATOM 1430 CB VAL A 95 3.519 0.483 0.893 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.570 -0.775 1.751 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.673 0.251 -0.349 1.00 0.60 C ATOM 0 H VAL A 95 3.790 1.217 3.560 1.00 0.22 H new ATOM 0 HA VAL A 95 3.075 2.559 1.017 1.00 0.22 H new ATOM 0 HB VAL A 95 4.539 0.708 0.580 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.937 -1.609 1.153 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.239 -0.612 2.596 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.570 -1.005 2.119 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.055 -0.612 -0.894 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.639 0.067 -0.056 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.717 1.132 -0.989 1.00 0.60 H new ATOM 1442 N LEU A 96 0.685 2.380 1.688 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.661 2.408 2.218 1.00 0.26 C ATOM 1444 C LEU A 96 -1.703 2.225 1.133 1.00 0.24 C ATOM 1445 O LEU A 96 -1.692 2.912 0.113 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.926 3.707 2.989 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.551 4.997 2.260 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.615 6.055 2.488 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.803 5.501 2.738 1.00 1.21 C ATOM 0 H LEU A 96 0.877 3.073 0.965 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.744 1.568 2.907 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.986 3.749 3.242 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.376 3.669 3.929 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.487 4.788 1.192 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.337 6.969 1.964 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.572 5.696 2.109 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.701 6.260 3.555 1.00 1.13 H new ATOM 0 HD21 LEU A 96 1.056 6.420 2.210 1.00 1.21 H new ATOM 0 HD22 LEU A 96 0.760 5.698 3.809 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.564 4.746 2.538 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.602 1.291 1.373 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.732 1.073 0.496 1.00 0.24 C ATOM 1463 C ILE A 97 -4.935 1.836 1.022 1.00 0.26 C ATOM 1464 O ILE A 97 -5.479 1.506 2.076 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.098 -0.421 0.391 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.914 -1.227 -0.144 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.320 -0.602 -0.499 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.180 -2.714 -0.201 1.00 0.30 C ATOM 0 H ILE A 97 -2.569 0.665 2.178 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.453 1.427 -0.496 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.339 -0.792 1.387 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.663 -0.871 -1.143 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.044 -1.044 0.487 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.568 -1.661 -0.565 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.163 -0.057 -0.074 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -5.104 -0.217 -1.496 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.300 -3.226 -0.590 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.402 -3.083 0.800 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -4.030 -2.907 -0.855 1.00 0.30 H new ATOM 1480 N THR A 98 -5.325 2.866 0.302 1.00 0.29 N ATOM 1481 CA THR A 98 -6.456 3.676 0.696 1.00 0.33 C ATOM 1482 C THR A 98 -7.600 3.479 -0.289 1.00 0.28 C ATOM 1483 O THR A 98 -7.394 3.425 -1.506 1.00 0.37 O ATOM 1484 CB THR A 98 -6.076 5.174 0.799 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.219 5.950 1.175 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.504 5.693 -0.514 1.00 1.07 C ATOM 0 H THR A 98 -4.873 3.163 -0.563 1.00 0.29 H new ATOM 0 HA THR A 98 -6.777 3.354 1.687 1.00 0.33 H new ATOM 0 HB THR A 98 -5.307 5.271 1.565 1.00 0.43 H new ATOM 0 HG1 THR A 98 -7.063 6.892 0.953 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.248 6.747 -0.408 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.609 5.126 -0.770 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.245 5.578 -1.305 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.798 3.333 0.236 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.962 3.117 -0.597 1.00 0.29 C ATOM 1496 C CYS A 99 -10.813 4.371 -0.638 1.00 0.31 C ATOM 1497 O CYS A 99 -11.230 4.890 0.400 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.771 1.937 -0.080 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.821 0.410 0.056 1.00 1.32 S ATOM 0 H CYS A 99 -8.992 3.360 1.237 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.632 2.888 -1.610 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.179 2.189 0.899 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.618 1.769 -0.745 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.749 -0.161 -1.110 1.00 1.32 H new ATOM 1505 N THR A 100 -11.065 4.846 -1.842 1.00 0.34 N ATOM 1506 CA THR A 100 -11.762 6.094 -2.043 1.00 0.38 C ATOM 1507 C THR A 100 -13.174 5.837 -2.553 1.00 0.37 C ATOM 1508 O THR A 100 -13.365 5.160 -3.562 1.00 0.41 O ATOM 1509 CB THR A 100 -10.994 6.981 -3.042 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.620 7.081 -2.637 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.603 8.374 -3.121 1.00 0.50 C ATOM 0 H THR A 100 -10.791 4.376 -2.705 1.00 0.34 H new ATOM 0 HA THR A 100 -11.823 6.613 -1.086 1.00 0.38 H new ATOM 0 HB THR A 100 -11.060 6.522 -4.028 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.131 7.644 -3.273 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.040 8.977 -3.833 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.640 8.300 -3.448 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.565 8.844 -2.138 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.153 6.352 -1.828 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.545 6.213 -2.203 1.00 0.40 C ATOM 1521 C TYR A 101 -16.257 7.547 -1.992 1.00 0.44 C ATOM 1522 O TYR A 101 -16.116 8.172 -0.939 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.185 5.106 -1.370 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.483 4.576 -1.927 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.487 3.813 -3.086 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.691 4.805 -1.287 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.658 3.293 -3.594 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -19.872 4.291 -1.793 1.00 0.73 C ATOM 1529 CZ TYR A 101 -19.847 3.535 -2.946 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.014 3.004 -3.451 1.00 0.65 O ATOM 0 H TYR A 101 -14.003 6.876 -0.966 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.629 5.940 -3.255 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.478 4.281 -1.281 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.363 5.483 -0.363 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.556 3.623 -3.599 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.711 5.393 -0.381 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.642 2.699 -4.496 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.808 4.481 -1.288 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.766 3.265 -2.879 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.978 7.993 -3.015 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.654 9.295 -3.018 1.00 0.59 C ATOM 1542 C ARG A 102 -16.652 10.446 -2.939 1.00 0.57 C ATOM 1543 O ARG A 102 -17.026 11.590 -2.680 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.666 9.410 -1.868 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.749 8.340 -1.883 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.483 8.285 -3.220 1.00 0.86 C ATOM 1547 NE ARG A 102 -20.956 9.602 -3.659 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.237 9.969 -3.683 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.175 9.152 -3.218 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.579 11.160 -4.159 1.00 2.45 N ATOM 0 H ARG A 102 -17.114 7.461 -3.874 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.193 9.365 -3.963 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.130 9.356 -0.920 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.139 10.391 -1.911 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.301 7.368 -1.676 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.465 8.538 -1.085 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.818 7.871 -3.978 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.333 7.607 -3.136 1.00 0.86 H new ATOM 0 HE ARG A 102 -20.259 10.281 -3.966 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.916 8.240 -2.841 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -24.154 9.436 -3.238 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -21.861 11.795 -4.507 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.560 11.440 -4.177 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.381 10.146 -3.183 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.352 11.162 -3.097 1.00 0.53 C ATOM 1566 C GLY A 103 -13.817 11.299 -1.687 1.00 0.49 C ATOM 1567 O GLY A 103 -13.101 12.250 -1.370 1.00 0.57 O ATOM 0 H GLY A 103 -15.046 9.217 -3.439 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.535 10.911 -3.773 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.757 12.119 -3.427 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.187 10.350 -0.839 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.729 10.317 0.540 1.00 0.44 C ATOM 1573 C GLN A 104 -13.183 8.934 0.861 1.00 0.37 C ATOM 1574 O GLN A 104 -13.683 7.935 0.362 1.00 0.37 O ATOM 1575 CB GLN A 104 -14.877 10.664 1.483 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.433 12.059 1.266 1.00 0.66 C ATOM 1577 CD GLN A 104 -16.542 12.399 2.233 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -16.733 13.560 2.591 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.276 11.394 2.676 1.00 0.98 N ATOM 0 H GLN A 104 -14.812 9.583 -1.088 1.00 0.45 H new ATOM 0 HA GLN A 104 -12.937 11.054 0.674 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.678 9.937 1.351 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.531 10.575 2.513 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -14.629 12.787 1.371 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.807 12.142 0.246 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.087 10.444 2.356 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.032 11.568 3.338 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.157 8.875 1.680 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.495 7.613 1.967 1.00 0.32 C ATOM 1590 C GLU A 105 -11.953 7.047 3.300 1.00 0.32 C ATOM 1591 O GLU A 105 -11.978 7.750 4.307 1.00 0.43 O ATOM 1592 CB GLU A 105 -9.992 7.834 1.931 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.541 8.370 0.585 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.207 9.073 0.644 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.172 10.265 1.011 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.181 8.430 0.341 1.00 1.59 O ATOM 0 H GLU A 105 -11.760 9.682 2.161 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.762 6.875 1.211 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.707 8.534 2.717 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.480 6.895 2.140 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.479 7.546 -0.125 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.293 9.062 0.206 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.326 5.772 3.291 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.931 5.139 4.460 1.00 0.27 C ATOM 1605 C PHE A 106 -12.004 4.124 5.113 1.00 0.26 C ATOM 1606 O PHE A 106 -12.309 3.595 6.176 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.243 4.457 4.067 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.112 3.507 2.909 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.725 2.193 3.109 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.386 3.933 1.621 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.613 1.322 2.043 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.275 3.067 0.554 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.890 1.760 0.765 1.00 0.31 C ATOM 0 H PHE A 106 -12.220 5.154 2.486 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.123 5.927 5.188 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.631 3.913 4.928 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.978 5.222 3.816 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.509 1.846 4.108 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.690 4.955 1.450 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.309 0.299 2.210 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.490 3.412 -0.447 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.805 1.080 -0.070 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.895 3.819 4.470 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.934 2.890 5.037 1.00 0.24 C ATOM 1625 C ILE A 107 -8.548 3.159 4.481 1.00 0.22 C ATOM 1626 O ILE A 107 -8.402 3.590 3.335 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.320 1.409 4.796 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.446 0.485 5.656 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.195 1.048 3.325 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.634 -0.993 5.363 1.00 0.37 C ATOM 0 H ILE A 107 -10.636 4.198 3.559 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.937 3.054 6.115 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.362 1.274 5.088 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.399 0.745 5.501 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.668 0.667 6.707 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.471 0.003 3.182 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.858 1.683 2.737 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.166 1.199 3.000 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.982 -1.578 6.011 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.672 -1.271 5.546 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.383 -1.192 4.321 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.545 2.918 5.300 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.168 3.065 4.891 1.00 0.24 C ATOM 1644 C ARG A 108 -5.309 1.995 5.552 1.00 0.24 C ATOM 1645 O ARG A 108 -5.135 1.993 6.773 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.667 4.450 5.274 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.177 4.643 5.080 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.692 5.843 5.867 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.058 5.738 7.282 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.802 6.684 8.189 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.204 7.814 7.827 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.134 6.499 9.460 1.00 0.95 N ATOM 0 H ARG A 108 -7.664 2.615 6.267 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.101 2.947 3.810 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.199 5.194 4.681 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.914 4.638 6.319 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.643 3.749 5.402 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.957 4.781 4.021 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.609 5.927 5.775 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.119 6.753 5.446 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.537 4.892 7.592 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.939 7.961 6.853 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.010 8.534 8.523 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.587 5.631 9.748 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.937 7.224 10.149 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.804 1.078 4.745 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.902 0.042 5.222 1.00 0.22 C ATOM 1668 C VAL A 109 -2.455 0.506 5.091 1.00 0.24 C ATOM 1669 O VAL A 109 -1.906 0.535 3.995 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.090 -1.275 4.435 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.968 -2.258 4.741 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.443 -1.893 4.753 1.00 0.27 C ATOM 0 H VAL A 109 -5.006 1.030 3.746 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.137 -0.145 6.270 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.054 -1.044 3.370 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.124 -3.176 4.175 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.011 -1.817 4.461 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -2.964 -2.485 5.807 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.561 -2.820 4.191 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.504 -2.105 5.820 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.235 -1.197 4.475 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.857 0.883 6.207 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.486 1.341 6.199 1.00 0.25 C ATOM 1684 C GLY A 110 0.488 0.247 6.575 1.00 0.21 C ATOM 1685 O GLY A 110 0.633 -0.088 7.748 1.00 0.27 O ATOM 0 H GLY A 110 -2.300 0.880 7.126 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.238 1.720 5.208 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.380 2.174 6.894 1.00 0.25 H new ATOM 1689 N TYR A 111 1.148 -0.323 5.588 1.00 0.23 N ATOM 1690 CA TYR A 111 2.181 -1.308 5.849 1.00 0.24 C ATOM 1691 C TYR A 111 3.537 -0.639 5.858 1.00 0.23 C ATOM 1692 O TYR A 111 3.827 0.209 5.014 1.00 0.27 O ATOM 1693 CB TYR A 111 2.149 -2.440 4.825 1.00 0.32 C ATOM 1694 CG TYR A 111 1.120 -3.499 5.140 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.106 -4.147 6.367 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.156 -3.845 4.203 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.159 -5.112 6.649 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.793 -4.808 4.477 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.758 -5.455 5.739 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.731 -6.398 5.979 1.00 0.40 O ATOM 0 H TYR A 111 0.990 -0.123 4.600 1.00 0.23 H new ATOM 0 HA TYR A 111 1.991 -1.748 6.828 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.942 -2.024 3.839 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.134 -2.904 4.775 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.846 -3.893 7.112 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.149 -3.351 3.242 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.159 -5.595 7.615 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.546 -5.064 3.747 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.954 -6.402 6.933 1.00 0.40 H new ATOM 1710 N TYR A 112 4.361 -1.003 6.817 1.00 0.25 N ATOM 1711 CA TYR A 112 5.656 -0.380 6.957 1.00 0.25 C ATOM 1712 C TYR A 112 6.699 -1.212 6.241 1.00 0.27 C ATOM 1713 O TYR A 112 6.886 -2.387 6.544 1.00 0.33 O ATOM 1714 CB TYR A 112 6.000 -0.199 8.437 1.00 0.29 C ATOM 1715 CG TYR A 112 5.013 0.689 9.164 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.808 0.183 9.631 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.298 2.028 9.399 1.00 0.48 C ATOM 1718 CE1 TYR A 112 2.910 0.989 10.310 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.410 2.839 10.072 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.185 2.323 10.473 1.00 0.64 C ATOM 1721 OH TYR A 112 2.331 3.131 11.194 1.00 0.78 O ATOM 0 H TYR A 112 4.157 -1.725 7.508 1.00 0.25 H new ATOM 0 HA TYR A 112 5.637 0.610 6.501 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.028 -1.175 8.921 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.999 0.229 8.524 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.567 -0.856 9.462 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.232 2.441 9.048 1.00 0.48 H new ATOM 0 HE1 TYR A 112 1.998 0.570 10.709 1.00 0.62 H new ATOM 0 HE2 TYR A 112 4.665 3.867 10.286 1.00 0.60 H new ATOM 0 HH TYR A 112 2.681 4.046 11.209 1.00 0.78 H new ATOM 1731 N VAL A 113 7.329 -0.616 5.251 1.00 0.27 N ATOM 1732 CA VAL A 113 8.362 -1.286 4.494 1.00 0.31 C ATOM 1733 C VAL A 113 9.738 -0.912 5.017 1.00 0.28 C ATOM 1734 O VAL A 113 10.079 0.267 5.115 1.00 0.31 O ATOM 1735 CB VAL A 113 8.275 -0.942 2.992 1.00 0.42 C ATOM 1736 CG1 VAL A 113 9.450 -1.536 2.234 1.00 0.96 C ATOM 1737 CG2 VAL A 113 6.962 -1.439 2.412 1.00 1.19 C ATOM 0 H VAL A 113 7.140 0.340 4.951 1.00 0.27 H new ATOM 0 HA VAL A 113 8.207 -2.358 4.615 1.00 0.31 H new ATOM 0 HB VAL A 113 8.315 0.142 2.886 1.00 0.42 H new ATOM 0 HG11 VAL A 113 9.368 -1.281 1.177 1.00 0.96 H new ATOM 0 HG12 VAL A 113 10.381 -1.134 2.633 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.445 -2.620 2.347 1.00 0.96 H new ATOM 0 HG21 VAL A 113 6.915 -1.189 1.352 1.00 1.19 H new ATOM 0 HG22 VAL A 113 6.897 -2.520 2.533 1.00 1.19 H new ATOM 0 HG23 VAL A 113 6.131 -0.965 2.934 1.00 1.19 H new ATOM 1747 N ASN A 114 10.519 -1.913 5.366 1.00 0.29 N ATOM 1748 CA ASN A 114 11.898 -1.684 5.758 1.00 0.32 C ATOM 1749 C ASN A 114 12.805 -1.896 4.566 1.00 0.32 C ATOM 1750 O ASN A 114 13.010 -3.024 4.117 1.00 0.35 O ATOM 1751 CB ASN A 114 12.325 -2.585 6.919 1.00 0.42 C ATOM 1752 CG ASN A 114 11.978 -2.001 8.278 1.00 0.84 C ATOM 1753 OD1 ASN A 114 11.743 -2.731 9.238 1.00 1.63 O ATOM 1754 ND2 ASN A 114 11.951 -0.680 8.375 1.00 1.28 N ATOM 0 H ASN A 114 10.226 -2.890 5.387 1.00 0.29 H new ATOM 0 HA ASN A 114 11.981 -0.654 6.106 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.844 -3.558 6.813 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.401 -2.753 6.865 1.00 0.42 H new ATOM 0 HD21 ASN A 114 11.730 -0.239 9.268 1.00 1.28 H new ATOM 0 HD22 ASN A 114 12.151 -0.104 7.557 1.00 1.28 H new ATOM 1761 N ASN A 115 13.324 -0.798 4.045 1.00 0.34 N ATOM 1762 CA ASN A 115 14.174 -0.831 2.872 1.00 0.39 C ATOM 1763 C ASN A 115 15.636 -0.900 3.280 1.00 0.43 C ATOM 1764 O ASN A 115 16.201 0.060 3.808 1.00 0.50 O ATOM 1765 CB ASN A 115 13.928 0.397 1.996 1.00 0.48 C ATOM 1766 CG ASN A 115 12.623 0.321 1.225 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.201 -0.753 0.794 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.964 1.458 1.058 1.00 0.60 N ATOM 0 H ASN A 115 13.168 0.137 4.422 1.00 0.34 H new ATOM 0 HA ASN A 115 13.929 -1.723 2.295 1.00 0.39 H new ATOM 0 HB2 ASN A 115 13.922 1.289 2.623 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.754 0.507 1.293 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.075 1.464 0.558 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.346 2.328 1.430 1.00 0.60 H new ATOM 1775 N GLU A 116 16.232 -2.052 3.058 1.00 0.42 N ATOM 1776 CA GLU A 116 17.635 -2.263 3.354 1.00 0.50 C ATOM 1777 C GLU A 116 18.242 -3.205 2.326 1.00 0.45 C ATOM 1778 O GLU A 116 17.564 -4.083 1.811 1.00 0.54 O ATOM 1779 CB GLU A 116 17.817 -2.787 4.787 1.00 0.69 C ATOM 1780 CG GLU A 116 16.807 -3.850 5.217 1.00 1.26 C ATOM 1781 CD GLU A 116 17.160 -5.245 4.747 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.225 -5.762 5.142 1.00 1.97 O ATOM 1783 OE2 GLU A 116 16.384 -5.817 3.957 1.00 1.87 O ATOM 0 H GLU A 116 15.760 -2.868 2.668 1.00 0.42 H new ATOM 0 HA GLU A 116 18.161 -1.311 3.293 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.821 -3.201 4.882 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.753 -1.946 5.477 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.732 -3.850 6.304 1.00 1.26 H new ATOM 0 HG3 GLU A 116 15.824 -3.583 4.830 1.00 1.26 H new ATOM 1790 N TYR A 117 19.505 -2.989 1.999 1.00 0.46 N ATOM 1791 CA TYR A 117 20.169 -3.758 0.963 1.00 0.46 C ATOM 1792 C TYR A 117 20.258 -5.227 1.334 1.00 0.52 C ATOM 1793 O TYR A 117 20.277 -5.583 2.506 1.00 0.60 O ATOM 1794 CB TYR A 117 21.568 -3.208 0.717 1.00 0.48 C ATOM 1795 CG TYR A 117 21.584 -1.736 0.388 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.141 -1.275 -0.842 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.047 -0.805 1.309 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.160 0.067 -1.144 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.071 0.540 1.011 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.627 0.971 -0.217 1.00 0.60 C ATOM 1801 OH TYR A 117 21.653 2.308 -0.522 1.00 0.69 O ATOM 0 H TYR A 117 20.093 -2.282 2.440 1.00 0.46 H new ATOM 0 HA TYR A 117 19.576 -3.670 0.053 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.179 -3.381 1.603 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.029 -3.761 -0.102 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.776 -1.980 -1.574 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.394 -1.141 2.275 1.00 0.54 H new ATOM 0 HE1 TYR A 117 20.809 0.410 -2.106 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.436 1.251 1.737 1.00 0.59 H new ATOM 0 HH TYR A 117 22.009 2.811 0.240 1.00 0.69 H new ATOM 1811 N THR A 118 20.338 -6.066 0.317 1.00 0.54 N ATOM 1812 CA THR A 118 20.449 -7.500 0.507 1.00 0.65 C ATOM 1813 C THR A 118 21.912 -7.882 0.602 1.00 0.74 C ATOM 1814 O THR A 118 22.276 -8.917 1.158 1.00 0.84 O ATOM 1815 CB THR A 118 19.799 -8.267 -0.659 1.00 0.67 C ATOM 1816 OG1 THR A 118 19.978 -7.532 -1.877 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.320 -8.493 -0.407 1.00 0.77 C ATOM 0 H THR A 118 20.328 -5.774 -0.660 1.00 0.54 H new ATOM 0 HA THR A 118 19.929 -7.765 1.427 1.00 0.65 H new ATOM 0 HB THR A 118 20.282 -9.240 -0.743 1.00 0.67 H new ATOM 0 HG1 THR A 118 19.565 -8.022 -2.618 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.887 -9.037 -1.246 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.191 -9.073 0.507 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.818 -7.531 -0.300 1.00 0.77 H new ATOM 1825 N GLU A 119 22.741 -7.012 0.056 1.00 0.78 N ATOM 1826 CA GLU A 119 24.172 -7.208 0.066 1.00 0.92 C ATOM 1827 C GLU A 119 24.725 -6.863 1.436 1.00 0.95 C ATOM 1828 O GLU A 119 24.508 -5.755 1.931 1.00 0.90 O ATOM 1829 CB GLU A 119 24.829 -6.318 -0.988 1.00 1.00 C ATOM 1830 CG GLU A 119 24.236 -6.488 -2.372 1.00 1.29 C ATOM 1831 CD GLU A 119 24.602 -7.809 -3.010 1.00 1.50 C ATOM 1832 OE1 GLU A 119 24.010 -8.835 -2.627 1.00 1.67 O ATOM 1833 OE2 GLU A 119 25.484 -7.827 -3.892 1.00 2.24 O ATOM 0 H GLU A 119 22.439 -6.153 -0.405 1.00 0.78 H new ATOM 0 HA GLU A 119 24.389 -8.252 -0.162 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.732 -5.276 -0.685 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.895 -6.541 -1.028 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.151 -6.409 -2.309 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.578 -5.674 -3.011 1.00 1.29 H new ATOM 1840 N THR A 120 25.429 -7.806 2.046 1.00 1.07 N ATOM 1841 CA THR A 120 26.069 -7.566 3.330 1.00 1.14 C ATOM 1842 C THR A 120 26.988 -6.352 3.235 1.00 1.12 C ATOM 1843 O THR A 120 27.045 -5.528 4.145 1.00 1.13 O ATOM 1844 CB THR A 120 26.880 -8.795 3.788 1.00 1.31 C ATOM 1845 OG1 THR A 120 26.028 -9.947 3.849 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.509 -8.559 5.154 1.00 1.41 C ATOM 0 H THR A 120 25.571 -8.744 1.672 1.00 1.07 H new ATOM 0 HA THR A 120 25.287 -7.377 4.066 1.00 1.14 H new ATOM 0 HB THR A 120 27.677 -8.963 3.063 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.549 -10.725 4.139 1.00 1.36 H new ATOM 0 HG21 THR A 120 28.075 -9.442 5.452 1.00 1.41 H new ATOM 0 HG22 THR A 120 28.178 -7.700 5.103 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.726 -8.366 5.887 1.00 1.41 H new ATOM 1854 N GLU A 121 27.667 -6.232 2.100 1.00 1.13 N ATOM 1855 CA GLU A 121 28.567 -5.118 1.855 1.00 1.14 C ATOM 1856 C GLU A 121 27.809 -3.793 1.881 1.00 1.03 C ATOM 1857 O GLU A 121 28.243 -2.837 2.518 1.00 1.09 O ATOM 1858 CB GLU A 121 29.270 -5.300 0.509 1.00 1.18 C ATOM 1859 CG GLU A 121 30.396 -4.310 0.262 1.00 1.27 C ATOM 1860 CD GLU A 121 31.469 -4.376 1.330 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.139 -5.421 1.443 1.00 2.05 O ATOM 1862 OE2 GLU A 121 31.661 -3.378 2.054 1.00 2.21 O ATOM 0 H GLU A 121 27.608 -6.900 1.331 1.00 1.13 H new ATOM 0 HA GLU A 121 29.316 -5.098 2.647 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.671 -6.312 0.454 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.534 -5.205 -0.290 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.844 -4.509 -0.712 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.987 -3.301 0.224 1.00 1.27 H new ATOM 1869 N LEU A 122 26.650 -3.746 1.226 1.00 0.90 N ATOM 1870 CA LEU A 122 25.895 -2.506 1.145 1.00 0.82 C ATOM 1871 C LEU A 122 25.178 -2.231 2.462 1.00 0.82 C ATOM 1872 O LEU A 122 24.809 -1.096 2.754 1.00 0.83 O ATOM 1873 CB LEU A 122 24.904 -2.555 -0.018 1.00 0.75 C ATOM 1874 CG LEU A 122 25.537 -2.696 -1.406 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.466 -2.663 -2.484 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.561 -1.597 -1.643 1.00 0.87 C ATOM 0 H LEU A 122 26.222 -4.541 0.752 1.00 0.90 H new ATOM 0 HA LEU A 122 26.591 -1.688 0.961 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.223 -3.391 0.140 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.302 -1.646 -0.001 1.00 0.75 H new ATOM 0 HG LEU A 122 26.048 -3.658 -1.453 1.00 0.82 H new ATOM 0 HD11 LEU A 122 24.933 -2.764 -3.464 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.767 -3.485 -2.328 1.00 0.88 H new ATOM 0 HD13 LEU A 122 23.929 -1.716 -2.434 1.00 0.88 H new ATOM 0 HD21 LEU A 122 26.999 -1.715 -2.634 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.073 -0.625 -1.575 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.346 -1.662 -0.890 1.00 0.87 H new ATOM 1888 N ARG A 123 24.985 -3.276 3.255 1.00 0.86 N ATOM 1889 CA ARG A 123 24.447 -3.125 4.601 1.00 0.94 C ATOM 1890 C ARG A 123 25.481 -2.461 5.495 1.00 1.11 C ATOM 1891 O ARG A 123 25.145 -1.685 6.392 1.00 1.19 O ATOM 1892 CB ARG A 123 24.044 -4.485 5.180 1.00 0.98 C ATOM 1893 CG ARG A 123 22.749 -5.026 4.603 1.00 0.89 C ATOM 1894 CD ARG A 123 22.455 -6.432 5.107 1.00 1.00 C ATOM 1895 NE ARG A 123 21.041 -6.778 4.964 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.539 -8.000 5.141 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.337 -9.028 5.400 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.232 -8.188 5.048 1.00 2.03 N ATOM 0 H ARG A 123 25.193 -4.239 2.990 1.00 0.86 H new ATOM 0 HA ARG A 123 23.557 -2.498 4.553 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.844 -5.202 4.994 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.942 -4.395 6.261 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.926 -4.363 4.871 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.810 -5.034 3.515 1.00 0.89 H new ATOM 0 HD2 ARG A 123 23.062 -7.150 4.555 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.744 -6.510 6.155 1.00 1.00 H new ATOM 0 HE ARG A 123 20.394 -6.032 4.711 1.00 1.20 H new ATOM 0 HH11 ARG A 123 22.345 -8.887 5.465 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.942 -9.959 5.534 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.617 -7.401 4.842 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.840 -9.120 5.182 1.00 2.03 H new ATOM 1912 N GLU A 124 26.743 -2.767 5.228 1.00 1.20 N ATOM 1913 CA GLU A 124 27.845 -2.189 5.974 1.00 1.39 C ATOM 1914 C GLU A 124 28.083 -0.743 5.555 1.00 1.37 C ATOM 1915 O GLU A 124 28.478 0.090 6.371 1.00 1.49 O ATOM 1916 CB GLU A 124 29.123 -3.008 5.772 1.00 1.53 C ATOM 1917 CG GLU A 124 29.044 -4.422 6.328 1.00 1.66 C ATOM 1918 CD GLU A 124 28.793 -4.450 7.820 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.770 -4.360 8.592 1.00 2.84 O ATOM 1920 OE2 GLU A 124 27.619 -4.566 8.230 1.00 2.06 O ATOM 0 H GLU A 124 27.027 -3.417 4.495 1.00 1.20 H new ATOM 0 HA GLU A 124 27.580 -2.207 7.031 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.345 -3.059 4.706 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.955 -2.488 6.246 1.00 1.53 H new ATOM 0 HG2 GLU A 124 28.247 -4.964 5.819 1.00 1.66 H new ATOM 0 HG3 GLU A 124 29.975 -4.946 6.110 1.00 1.66 H new ATOM 1927 N ASN A 125 27.836 -0.436 4.289 1.00 1.27 N ATOM 1928 CA ASN A 125 28.068 0.910 3.798 1.00 1.30 C ATOM 1929 C ASN A 125 27.109 1.275 2.673 1.00 1.14 C ATOM 1930 O ASN A 125 27.318 0.911 1.517 1.00 1.10 O ATOM 1931 CB ASN A 125 29.532 1.090 3.352 1.00 1.45 C ATOM 1932 CG ASN A 125 30.044 -0.034 2.463 1.00 1.58 C ATOM 1933 OD1 ASN A 125 29.930 0.017 1.240 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.645 -1.044 3.076 1.00 1.62 N ATOM 0 H ASN A 125 27.480 -1.092 3.594 1.00 1.27 H new ATOM 0 HA ASN A 125 27.876 1.594 4.625 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.626 2.035 2.818 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.166 1.159 4.236 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.032 -1.814 2.531 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.720 -1.051 4.093 1.00 1.62 H new ATOM 1941 N PRO A 126 26.005 1.957 3.012 1.00 1.13 N ATOM 1942 CA PRO A 126 25.144 2.580 2.016 1.00 1.06 C ATOM 1943 C PRO A 126 25.933 3.569 1.174 1.00 1.09 C ATOM 1944 O PRO A 126 26.567 4.483 1.711 1.00 1.19 O ATOM 1945 CB PRO A 126 24.085 3.309 2.846 1.00 1.15 C ATOM 1946 CG PRO A 126 24.070 2.587 4.149 1.00 1.23 C ATOM 1947 CD PRO A 126 25.488 2.140 4.379 1.00 1.24 C ATOM 0 HA PRO A 126 24.712 1.858 1.322 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.339 4.361 2.978 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.109 3.275 2.362 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.728 3.238 4.954 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.391 1.735 4.118 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.061 2.885 4.931 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.531 1.215 4.954 1.00 1.24 H new ATOM 1955 N PRO A 127 25.936 3.375 -0.144 1.00 1.05 N ATOM 1956 CA PRO A 127 26.659 4.244 -1.075 1.00 1.13 C ATOM 1957 C PRO A 127 26.080 5.659 -1.083 1.00 1.19 C ATOM 1958 O PRO A 127 24.973 5.879 -0.587 1.00 1.14 O ATOM 1959 CB PRO A 127 26.476 3.540 -2.431 1.00 1.11 C ATOM 1960 CG PRO A 127 26.086 2.143 -2.074 1.00 1.01 C ATOM 1961 CD PRO A 127 25.253 2.284 -0.844 1.00 0.97 C ATOM 0 HA PRO A 127 27.708 4.377 -0.810 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.707 4.026 -3.031 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.396 3.559 -3.016 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.525 1.670 -2.880 1.00 1.01 H new ATOM 0 HG3 PRO A 127 26.963 1.522 -1.889 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.218 2.533 -1.077 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.236 1.367 -0.254 1.00 0.97 H new ATOM 1969 N VAL A 128 26.843 6.612 -1.621 1.00 1.34 N ATOM 1970 CA VAL A 128 26.438 8.020 -1.629 1.00 1.44 C ATOM 1971 C VAL A 128 25.037 8.185 -2.227 1.00 1.22 C ATOM 1972 O VAL A 128 24.265 9.054 -1.811 1.00 1.28 O ATOM 1973 CB VAL A 128 27.463 8.900 -2.392 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.588 8.471 -3.846 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.095 10.374 -2.294 1.00 2.16 C ATOM 0 H VAL A 128 27.747 6.434 -2.058 1.00 1.34 H new ATOM 0 HA VAL A 128 26.411 8.358 -0.593 1.00 1.44 H new ATOM 0 HB VAL A 128 28.435 8.759 -1.918 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.314 9.108 -4.352 1.00 1.92 H new ATOM 0 HG12 VAL A 128 27.920 7.434 -3.892 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.619 8.564 -4.337 1.00 1.92 H new ATOM 0 HG21 VAL A 128 27.829 10.969 -2.837 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.107 10.532 -2.727 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.085 10.678 -1.247 1.00 2.16 H new ATOM 1985 N LYS A 129 24.714 7.334 -3.191 1.00 1.07 N ATOM 1986 CA LYS A 129 23.367 7.248 -3.715 1.00 0.88 C ATOM 1987 C LYS A 129 22.821 5.856 -3.440 1.00 0.76 C ATOM 1988 O LYS A 129 23.487 4.858 -3.724 1.00 0.80 O ATOM 1989 CB LYS A 129 23.341 7.550 -5.218 1.00 1.00 C ATOM 1990 CG LYS A 129 23.731 8.981 -5.555 1.00 1.12 C ATOM 1991 CD LYS A 129 22.875 9.969 -4.782 1.00 1.29 C ATOM 1992 CE LYS A 129 23.222 11.407 -5.118 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.445 12.362 -4.287 1.00 1.96 N ATOM 0 H LYS A 129 25.375 6.691 -3.626 1.00 1.07 H new ATOM 0 HA LYS A 129 22.742 7.992 -3.221 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.019 6.867 -5.730 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.340 7.354 -5.603 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.783 9.141 -5.319 1.00 1.12 H new ATOM 0 HG3 LYS A 129 23.615 9.152 -6.625 1.00 1.12 H new ATOM 0 HD2 LYS A 129 21.823 9.789 -5.004 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.008 9.804 -3.713 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.288 11.571 -4.962 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.021 11.594 -6.173 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 22.616 13.332 -4.621 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.431 12.143 -4.363 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 22.743 12.280 -3.294 1.00 1.96 H new ATOM 2007 N PRO A 130 21.614 5.760 -2.868 1.00 0.66 N ATOM 2008 CA PRO A 130 21.019 4.476 -2.509 1.00 0.57 C ATOM 2009 C PRO A 130 20.825 3.582 -3.721 1.00 0.52 C ATOM 2010 O PRO A 130 20.581 4.056 -4.834 1.00 0.64 O ATOM 2011 CB PRO A 130 19.671 4.849 -1.893 1.00 0.55 C ATOM 2012 CG PRO A 130 19.388 6.215 -2.413 1.00 0.64 C ATOM 2013 CD PRO A 130 20.728 6.881 -2.539 1.00 0.71 C ATOM 0 HA PRO A 130 21.657 3.910 -1.830 1.00 0.57 H new ATOM 0 HB2 PRO A 130 18.893 4.144 -2.185 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.716 4.840 -0.804 1.00 0.55 H new ATOM 0 HG2 PRO A 130 18.879 6.171 -3.376 1.00 0.64 H new ATOM 0 HG3 PRO A 130 18.738 6.767 -1.734 1.00 0.64 H new ATOM 0 HD2 PRO A 130 20.730 7.642 -3.319 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.024 7.373 -1.613 1.00 0.71 H new ATOM 2021 N ASP A 131 20.927 2.289 -3.499 1.00 0.45 N ATOM 2022 CA ASP A 131 20.865 1.336 -4.595 1.00 0.45 C ATOM 2023 C ASP A 131 19.568 0.560 -4.522 1.00 0.39 C ATOM 2024 O ASP A 131 19.431 -0.374 -3.735 1.00 0.39 O ATOM 2025 CB ASP A 131 22.062 0.383 -4.572 1.00 0.53 C ATOM 2026 CG ASP A 131 22.168 -0.432 -5.847 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.476 -1.468 -5.954 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.941 -0.046 -6.744 1.00 1.06 O ATOM 0 H ASP A 131 21.053 1.872 -2.577 1.00 0.45 H new ATOM 0 HA ASP A 131 20.902 1.888 -5.534 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.978 0.956 -4.432 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.973 -0.290 -3.719 1.00 0.53 H new ATOM 2033 N PHE A 132 18.612 0.968 -5.339 1.00 0.38 N ATOM 2034 CA PHE A 132 17.278 0.388 -5.316 1.00 0.35 C ATOM 2035 C PHE A 132 17.280 -1.012 -5.916 1.00 0.37 C ATOM 2036 O PHE A 132 16.345 -1.788 -5.713 1.00 0.38 O ATOM 2037 CB PHE A 132 16.303 1.294 -6.074 1.00 0.38 C ATOM 2038 CG PHE A 132 16.160 2.661 -5.461 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.028 3.686 -5.805 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.152 2.922 -4.546 1.00 0.35 C ATOM 2041 CE1 PHE A 132 16.891 4.943 -5.249 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.011 4.177 -3.987 1.00 0.40 C ATOM 2043 CZ PHE A 132 15.911 5.182 -4.319 1.00 0.46 C ATOM 0 H PHE A 132 18.736 1.705 -6.033 1.00 0.38 H new ATOM 0 HA PHE A 132 16.955 0.306 -4.278 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.642 1.399 -7.104 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.325 0.815 -6.108 1.00 0.38 H new ATOM 0 HD1 PHE A 132 17.820 3.500 -6.515 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.468 2.134 -4.267 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.557 5.739 -5.547 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.206 4.376 -3.296 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.839 6.150 -3.846 1.00 0.46 H new ATOM 2053 N SER A 133 18.343 -1.336 -6.636 1.00 0.42 N ATOM 2054 CA SER A 133 18.458 -2.620 -7.308 1.00 0.47 C ATOM 2055 C SER A 133 18.871 -3.723 -6.330 1.00 0.48 C ATOM 2056 O SER A 133 18.617 -4.905 -6.565 1.00 0.62 O ATOM 2057 CB SER A 133 19.474 -2.510 -8.438 1.00 0.54 C ATOM 2058 OG SER A 133 19.148 -1.446 -9.316 1.00 1.46 O ATOM 0 H SER A 133 19.145 -0.720 -6.770 1.00 0.42 H new ATOM 0 HA SER A 133 17.483 -2.887 -7.716 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.469 -2.351 -8.022 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.507 -3.447 -8.994 1.00 0.54 H new ATOM 0 HG SER A 133 19.816 -1.396 -10.031 1.00 1.46 H new ATOM 2064 N LYS A 134 19.495 -3.327 -5.230 1.00 0.40 N ATOM 2065 CA LYS A 134 19.939 -4.271 -4.215 1.00 0.43 C ATOM 2066 C LYS A 134 19.142 -4.055 -2.958 1.00 0.39 C ATOM 2067 O LYS A 134 19.312 -4.750 -1.957 1.00 0.46 O ATOM 2068 CB LYS A 134 21.428 -4.094 -3.909 1.00 0.48 C ATOM 2069 CG LYS A 134 22.347 -4.587 -5.016 1.00 0.65 C ATOM 2070 CD LYS A 134 22.157 -6.071 -5.294 1.00 0.78 C ATOM 2071 CE LYS A 134 23.091 -6.554 -6.393 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.914 -8.001 -6.681 1.00 1.87 N ATOM 0 H LYS A 134 19.706 -2.352 -5.017 1.00 0.40 H new ATOM 0 HA LYS A 134 19.785 -5.282 -4.592 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.629 -3.038 -3.727 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.666 -4.627 -2.988 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.155 -4.020 -5.927 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.384 -4.400 -4.737 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.341 -6.640 -4.382 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.123 -6.259 -5.584 1.00 0.78 H new ATOM 0 HE2 LYS A 134 22.909 -5.979 -7.301 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.124 -6.367 -6.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 23.570 -8.288 -7.436 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 23.112 -8.553 -5.822 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 21.936 -8.177 -6.987 1.00 1.87 H new ATOM 2086 N LEU A 135 18.270 -3.077 -3.031 1.00 0.41 N ATOM 2087 CA LEU A 135 17.467 -2.681 -1.909 1.00 0.40 C ATOM 2088 C LEU A 135 16.316 -3.655 -1.731 1.00 0.41 C ATOM 2089 O LEU A 135 15.537 -3.888 -2.658 1.00 0.46 O ATOM 2090 CB LEU A 135 16.943 -1.270 -2.141 1.00 0.41 C ATOM 2091 CG LEU A 135 16.423 -0.570 -0.903 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.550 -0.345 0.093 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.761 0.744 -1.278 1.00 0.74 C ATOM 0 H LEU A 135 18.100 -2.534 -3.877 1.00 0.41 H new ATOM 0 HA LEU A 135 18.070 -2.691 -1.001 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.743 -0.668 -2.572 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.142 -1.312 -2.880 1.00 0.41 H new ATOM 0 HG LEU A 135 15.675 -1.206 -0.430 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.159 0.159 0.977 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.977 -1.305 0.382 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.322 0.273 -0.365 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.392 1.236 -0.378 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.487 1.389 -1.772 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.928 0.552 -1.954 1.00 0.74 H new ATOM 2105 N GLN A 136 16.217 -4.234 -0.553 1.00 0.40 N ATOM 2106 CA GLN A 136 15.184 -5.203 -0.281 1.00 0.41 C ATOM 2107 C GLN A 136 13.999 -4.525 0.370 1.00 0.38 C ATOM 2108 O GLN A 136 14.153 -3.674 1.246 1.00 0.44 O ATOM 2109 CB GLN A 136 15.691 -6.323 0.622 1.00 0.46 C ATOM 2110 CG GLN A 136 14.766 -7.529 0.632 1.00 0.58 C ATOM 2111 CD GLN A 136 15.157 -8.582 1.644 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.938 -9.776 1.430 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.713 -8.158 2.763 1.00 0.72 N ATOM 0 H GLN A 136 16.842 -4.048 0.231 1.00 0.40 H new ATOM 0 HA GLN A 136 14.882 -5.643 -1.231 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.682 -6.632 0.290 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.800 -5.944 1.638 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.750 -7.195 0.841 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.756 -7.977 -0.361 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.879 -7.162 2.904 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.977 -8.827 3.487 1.00 0.72 H new ATOM 2122 N ARG A 137 12.828 -4.906 -0.078 1.00 0.36 N ATOM 2123 CA ARG A 137 11.596 -4.415 0.473 1.00 0.35 C ATOM 2124 C ARG A 137 11.047 -5.444 1.460 1.00 0.35 C ATOM 2125 O ARG A 137 10.596 -6.521 1.064 1.00 0.39 O ATOM 2126 CB ARG A 137 10.611 -4.124 -0.680 1.00 0.43 C ATOM 2127 CG ARG A 137 9.169 -3.891 -0.255 1.00 1.02 C ATOM 2128 CD ARG A 137 8.395 -5.199 -0.195 1.00 1.29 C ATOM 2129 NE ARG A 137 7.825 -5.584 -1.484 1.00 1.00 N ATOM 2130 CZ ARG A 137 7.078 -6.673 -1.677 1.00 1.85 C ATOM 2131 NH1 ARG A 137 6.794 -7.479 -0.663 1.00 2.82 N ATOM 2132 NH2 ARG A 137 6.616 -6.958 -2.887 1.00 2.05 N ATOM 0 H ARG A 137 12.706 -5.571 -0.842 1.00 0.36 H new ATOM 0 HA ARG A 137 11.753 -3.484 1.018 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.960 -3.245 -1.222 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.637 -4.960 -1.379 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.149 -3.408 0.722 1.00 1.02 H new ATOM 0 HG3 ARG A 137 8.686 -3.211 -0.957 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.057 -5.991 0.154 1.00 1.29 H new ATOM 0 HD3 ARG A 137 7.593 -5.107 0.538 1.00 1.29 H new ATOM 0 HE ARG A 137 8.010 -4.983 -2.287 1.00 1.00 H new ATOM 0 HH11 ARG A 137 7.147 -7.268 0.270 1.00 2.82 H new ATOM 0 HH12 ARG A 137 6.223 -8.310 -0.817 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.831 -6.344 -3.673 1.00 2.05 H new ATOM 0 HH22 ARG A 137 6.045 -7.791 -3.032 1.00 2.05 H new ATOM 2146 N ASN A 138 11.144 -5.144 2.746 1.00 0.35 N ATOM 2147 CA ASN A 138 10.492 -5.969 3.753 1.00 0.39 C ATOM 2148 C ASN A 138 9.203 -5.309 4.177 1.00 0.39 C ATOM 2149 O ASN A 138 9.155 -4.100 4.357 1.00 0.49 O ATOM 2150 CB ASN A 138 11.365 -6.190 4.990 1.00 0.45 C ATOM 2151 CG ASN A 138 10.672 -7.096 5.999 1.00 0.52 C ATOM 2152 OD1 ASN A 138 9.958 -8.026 5.618 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.840 -6.819 7.286 1.00 0.67 N ATOM 0 H ASN A 138 11.661 -4.346 3.115 1.00 0.35 H new ATOM 0 HA ASN A 138 10.306 -6.944 3.302 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.316 -6.633 4.693 1.00 0.45 H new ATOM 0 HB3 ASN A 138 11.592 -5.230 5.455 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.371 -7.383 7.995 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.438 -6.042 7.567 1.00 0.67 H new ATOM 2160 N ILE A 139 8.163 -6.092 4.339 1.00 0.37 N ATOM 2161 CA ILE A 139 6.882 -5.545 4.718 1.00 0.36 C ATOM 2162 C ILE A 139 6.496 -6.036 6.098 1.00 0.37 C ATOM 2163 O ILE A 139 6.169 -7.209 6.278 1.00 0.46 O ATOM 2164 CB ILE A 139 5.788 -5.910 3.699 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.259 -5.539 2.292 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.481 -5.207 4.037 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.154 -5.497 1.264 1.00 0.48 C ATOM 0 H ILE A 139 8.178 -7.104 4.215 1.00 0.37 H new ATOM 0 HA ILE A 139 6.972 -4.459 4.734 1.00 0.36 H new ATOM 0 HB ILE A 139 5.605 -6.984 3.740 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.744 -4.564 2.328 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.012 -6.258 1.971 1.00 0.42 H new ATOM 0 HG21 ILE A 139 3.721 -5.479 3.304 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.151 -5.510 5.031 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.633 -4.128 4.019 1.00 0.43 H new ATOM 0 HD11 ILE A 139 5.570 -5.227 0.293 1.00 0.48 H new ATOM 0 HD12 ILE A 139 4.683 -6.477 1.196 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.411 -4.757 1.559 1.00 0.48 H new ATOM 2179 N LEU A 140 6.583 -5.144 7.070 1.00 0.35 N ATOM 2180 CA LEU A 140 6.225 -5.461 8.436 1.00 0.39 C ATOM 2181 C LEU A 140 4.729 -5.719 8.550 1.00 0.36 C ATOM 2182 O LEU A 140 3.945 -4.804 8.799 1.00 0.37 O ATOM 2183 CB LEU A 140 6.637 -4.329 9.385 1.00 0.47 C ATOM 2184 CG LEU A 140 8.142 -4.141 9.593 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.837 -3.701 8.319 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.400 -3.140 10.710 1.00 0.99 C ATOM 0 H LEU A 140 6.902 -4.185 6.933 1.00 0.35 H new ATOM 0 HA LEU A 140 6.761 -6.366 8.723 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.223 -3.395 9.005 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.176 -4.510 10.356 1.00 0.47 H new ATOM 0 HG LEU A 140 8.558 -5.108 9.877 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.903 -3.579 8.510 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.691 -4.455 7.546 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.417 -2.752 7.985 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.474 -3.016 10.847 1.00 0.99 H new ATOM 0 HD22 LEU A 140 7.955 -2.180 10.448 1.00 0.99 H new ATOM 0 HD23 LEU A 140 7.956 -3.506 11.636 1.00 0.99 H new ATOM 2198 N ALA A 141 4.344 -6.965 8.338 1.00 0.39 N ATOM 2199 CA ALA A 141 2.959 -7.370 8.483 1.00 0.42 C ATOM 2200 C ALA A 141 2.657 -7.612 9.954 1.00 0.49 C ATOM 2201 O ALA A 141 1.504 -7.775 10.355 1.00 0.55 O ATOM 2202 CB ALA A 141 2.685 -8.619 7.659 1.00 0.48 C ATOM 0 H ALA A 141 4.976 -7.717 8.063 1.00 0.39 H new ATOM 0 HA ALA A 141 2.307 -6.577 8.115 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.642 -8.911 7.777 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.887 -8.413 6.608 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.330 -9.429 8.000 1.00 0.48 H new ATOM 2208 N SER A 142 3.723 -7.644 10.747 1.00 0.52 N ATOM 2209 CA SER A 142 3.620 -7.803 12.187 1.00 0.62 C ATOM 2210 C SER A 142 3.050 -6.537 12.820 1.00 0.61 C ATOM 2211 O SER A 142 2.346 -6.598 13.827 1.00 0.70 O ATOM 2212 CB SER A 142 4.997 -8.104 12.772 1.00 0.72 C ATOM 2213 OG SER A 142 5.709 -9.017 11.952 1.00 1.42 O ATOM 0 H SER A 142 4.681 -7.560 10.406 1.00 0.52 H new ATOM 0 HA SER A 142 2.948 -8.634 12.403 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.565 -7.179 12.870 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.888 -8.519 13.774 1.00 0.72 H new ATOM 0 HG SER A 142 6.589 -9.193 12.346 1.00 1.42 H new ATOM 2219 N ASN A 143 3.354 -5.388 12.221 1.00 0.56 N ATOM 2220 CA ASN A 143 2.838 -4.115 12.709 1.00 0.60 C ATOM 2221 C ASN A 143 2.119 -3.371 11.584 1.00 0.49 C ATOM 2222 O ASN A 143 2.719 -2.559 10.880 1.00 0.49 O ATOM 2223 CB ASN A 143 3.970 -3.254 13.285 1.00 0.74 C ATOM 2224 CG ASN A 143 3.471 -1.968 13.926 1.00 1.25 C ATOM 2225 OD1 ASN A 143 3.128 -1.944 15.111 1.00 1.87 O ATOM 2226 ND2 ASN A 143 3.430 -0.893 13.153 1.00 1.91 N ATOM 0 H ASN A 143 3.954 -5.314 11.399 1.00 0.56 H new ATOM 0 HA ASN A 143 2.124 -4.316 13.508 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.519 -3.834 14.027 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.673 -3.008 12.489 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.106 -0.004 13.533 1.00 1.91 H new ATOM 0 HD22 ASN A 143 3.722 -0.955 12.178 1.00 1.91 H new ATOM 2233 N PRO A 144 0.833 -3.680 11.377 1.00 0.48 N ATOM 2234 CA PRO A 144 0.022 -3.067 10.339 1.00 0.43 C ATOM 2235 C PRO A 144 -0.756 -1.847 10.836 1.00 0.39 C ATOM 2236 O PRO A 144 -1.432 -1.898 11.864 1.00 0.51 O ATOM 2237 CB PRO A 144 -0.945 -4.195 9.952 1.00 0.52 C ATOM 2238 CG PRO A 144 -0.907 -5.195 11.077 1.00 0.66 C ATOM 2239 CD PRO A 144 0.058 -4.677 12.115 1.00 0.60 C ATOM 0 HA PRO A 144 0.629 -2.691 9.515 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -1.954 -3.809 9.810 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -0.645 -4.657 9.012 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.900 -5.325 11.508 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.588 -6.171 10.711 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.462 -4.235 12.965 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.693 -5.471 12.508 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.658 -0.754 10.098 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.406 0.451 10.417 1.00 0.33 C ATOM 2249 C ARG A 145 -2.805 0.362 9.825 1.00 0.30 C ATOM 2250 O ARG A 145 -3.038 0.748 8.684 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.679 1.697 9.890 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.445 2.998 10.089 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.772 3.246 11.552 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.585 3.538 12.350 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.426 3.150 13.615 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -1.318 2.351 14.187 1.00 3.00 N ATOM 2257 NH2 ARG A 145 0.633 3.547 14.302 1.00 3.15 N ATOM 0 H ARG A 145 -0.066 -0.676 9.271 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.484 0.538 11.501 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.287 1.778 10.388 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.480 1.565 8.827 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.855 3.829 9.703 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.369 2.967 9.511 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -2.471 4.079 11.628 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -2.275 2.370 11.962 1.00 1.21 H new ATOM 0 HE ARG A 145 0.167 4.071 11.913 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.129 2.031 13.658 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -1.192 2.057 15.155 1.00 3.00 H new ATOM 0 HH21 ARG A 145 1.329 4.151 13.863 1.00 3.15 H new ATOM 0 HH22 ARG A 145 0.754 3.249 15.270 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.727 -0.185 10.590 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.103 -0.304 10.144 1.00 0.39 C ATOM 2273 C VAL A 146 -5.914 0.874 10.663 1.00 0.40 C ATOM 2274 O VAL A 146 -6.107 1.026 11.871 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.753 -1.623 10.618 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.170 -1.754 10.077 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -4.906 -2.819 10.206 1.00 1.11 C ATOM 0 H VAL A 146 -3.550 -0.555 11.524 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.097 -0.307 9.054 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.807 -1.602 11.706 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.607 -2.690 10.424 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.774 -0.918 10.432 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.146 -1.747 8.987 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.382 -3.737 10.550 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.813 -2.843 9.120 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -3.915 -2.734 10.653 1.00 1.11 H new ATOM 2287 N THR A 147 -6.353 1.725 9.754 1.00 0.40 N ATOM 2288 CA THR A 147 -7.158 2.876 10.118 1.00 0.42 C ATOM 2289 C THR A 147 -8.330 3.023 9.166 1.00 0.35 C ATOM 2290 O THR A 147 -8.139 3.271 7.978 1.00 0.33 O ATOM 2291 CB THR A 147 -6.331 4.175 10.081 1.00 0.47 C ATOM 2292 OG1 THR A 147 -5.089 3.990 10.770 1.00 0.56 O ATOM 2293 CG2 THR A 147 -7.096 5.324 10.717 1.00 0.52 C ATOM 0 H THR A 147 -6.165 1.640 8.755 1.00 0.40 H new ATOM 0 HA THR A 147 -7.517 2.711 11.134 1.00 0.42 H new ATOM 0 HB THR A 147 -6.135 4.420 9.037 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.387 3.764 10.124 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.491 6.230 10.678 1.00 0.52 H new ATOM 0 HG22 THR A 147 -8.027 5.486 10.174 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.320 5.081 11.756 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.538 2.847 9.673 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.711 3.105 8.867 1.00 0.34 C ATOM 2303 C ARG A 148 -11.355 4.413 9.307 1.00 0.37 C ATOM 2304 O ARG A 148 -11.400 4.733 10.495 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.711 1.940 8.915 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.405 1.748 10.255 1.00 0.57 C ATOM 2307 CD ARG A 148 -13.383 0.585 10.202 1.00 0.88 C ATOM 2308 NE ARG A 148 -14.227 0.516 11.395 1.00 1.48 N ATOM 2309 CZ ARG A 148 -14.999 -0.524 11.706 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -14.998 -1.616 10.948 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.766 -0.473 12.788 1.00 3.00 N ATOM 0 H ARG A 148 -9.728 2.531 10.624 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.399 3.197 7.827 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.470 2.099 8.149 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.187 1.019 8.658 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.661 1.567 11.031 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.935 2.661 10.528 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -14.014 0.683 9.318 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.830 -0.348 10.096 1.00 0.88 H new ATOM 0 HE ARG A 148 -14.224 1.315 12.029 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -14.403 -1.662 10.121 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -15.592 -2.408 11.194 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -15.762 0.360 13.377 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -16.359 -1.267 13.031 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.831 5.163 8.335 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.342 6.502 8.559 1.00 0.36 C ATOM 2327 C PHE A 149 -13.860 6.520 8.451 1.00 0.38 C ATOM 2328 O PHE A 149 -14.444 5.765 7.673 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.746 7.459 7.523 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.258 7.328 7.359 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.400 7.896 8.286 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.717 6.636 6.288 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.032 7.779 8.149 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.347 6.514 6.147 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.510 7.081 7.032 1.00 0.40 C ATOM 0 H PHE A 149 -11.875 4.861 7.362 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.057 6.820 9.562 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.225 7.281 6.560 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -11.981 8.484 7.811 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.807 8.438 9.127 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.372 6.187 5.556 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.369 8.213 8.883 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.944 5.956 5.315 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.442 7.005 6.892 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.494 7.374 9.237 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.932 7.569 9.141 1.00 0.51 C ATOM 2347 C HIS A 150 -16.232 8.571 8.030 1.00 0.52 C ATOM 2348 O HIS A 150 -15.840 9.733 8.116 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.495 8.061 10.484 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.984 8.270 10.490 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -18.624 9.073 11.410 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.955 7.785 9.682 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -19.922 9.061 11.172 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.148 8.290 10.125 1.00 2.73 N ATOM 0 H HIS A 150 -14.036 7.943 9.949 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.412 6.620 8.903 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.238 7.339 11.259 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.007 8.999 10.748 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.815 7.121 8.842 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -20.673 9.592 11.738 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -21.062 8.101 9.713 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.910 8.113 6.985 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.239 8.967 5.857 1.00 0.50 C ATOM 2365 C ILE A 151 -18.665 8.717 5.401 1.00 0.49 C ATOM 2366 O ILE A 151 -19.416 7.970 6.027 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.308 8.753 4.637 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.432 7.322 4.102 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -14.864 9.073 4.991 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -15.935 7.165 2.682 1.00 0.64 C ATOM 0 H ILE A 151 -17.242 7.153 6.898 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.110 9.989 6.214 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.622 9.439 3.850 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -15.871 6.650 4.751 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.476 7.014 4.149 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.232 8.915 4.117 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.789 10.113 5.309 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.535 8.421 5.800 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.052 6.128 2.368 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.512 7.812 2.021 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -14.882 7.442 2.632 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.012 9.341 4.298 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.314 9.217 3.703 1.00 0.51 C ATOM 2384 C ASN A 152 -20.234 8.364 2.442 1.00 0.49 C ATOM 2385 O ASN A 152 -19.671 8.791 1.434 1.00 0.52 O ATOM 2386 CB ASN A 152 -20.819 10.610 3.365 1.00 0.62 C ATOM 2387 CG ASN A 152 -22.067 10.582 2.527 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -22.966 9.770 2.746 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -22.107 11.447 1.533 1.00 1.33 N ATOM 0 H ASN A 152 -18.383 9.958 3.784 1.00 0.50 H new ATOM 0 HA ASN A 152 -20.999 8.732 4.398 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -21.017 11.155 4.288 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -20.040 11.156 2.833 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -22.909 11.463 0.903 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.336 12.100 1.394 1.00 1.33 H new ATOM 2396 N TRP A 153 -20.753 7.146 2.521 1.00 0.54 N ATOM 2397 CA TRP A 153 -20.840 6.269 1.360 1.00 0.59 C ATOM 2398 C TRP A 153 -22.103 6.591 0.580 1.00 0.72 C ATOM 2399 O TRP A 153 -22.227 6.280 -0.605 1.00 0.87 O ATOM 2400 CB TRP A 153 -20.927 4.804 1.785 1.00 0.63 C ATOM 2401 CG TRP A 153 -19.828 4.309 2.677 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.513 4.756 3.926 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -18.942 3.220 2.407 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.475 4.023 4.440 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.106 3.074 3.527 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.771 2.358 1.322 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.117 2.099 3.593 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.790 1.392 1.389 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.974 1.268 2.518 1.00 0.53 C ATOM 0 H TRP A 153 -21.122 6.741 3.381 1.00 0.54 H new ATOM 0 HA TRP A 153 -19.947 6.425 0.755 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -21.878 4.651 2.295 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -20.944 4.187 0.887 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.009 5.569 4.436 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.047 4.163 5.355 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.396 2.447 0.446 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.484 2.002 4.463 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.649 0.720 0.556 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.215 0.500 2.541 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.036 7.221 1.273 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.368 7.435 0.765 1.00 0.99 C ATOM 2422 C GLU A 154 -24.417 8.730 -0.007 1.00 0.96 C ATOM 2423 O GLU A 154 -23.391 9.367 -0.244 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.362 7.498 1.927 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.247 6.336 2.902 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.684 5.012 2.313 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.641 4.852 1.077 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -26.053 4.110 3.095 1.00 2.32 O ATOM 0 H GLU A 154 -22.884 7.598 2.208 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.634 6.609 0.105 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.212 8.431 2.470 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.375 7.523 1.525 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.213 6.253 3.236 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -25.851 6.550 3.784 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.604 9.132 -0.390 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.759 10.384 -1.084 1.00 1.07 C ATOM 2437 C ASP A 155 -26.589 11.349 -0.257 1.00 1.02 C ATOM 2438 O ASP A 155 -27.790 11.502 -0.468 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.376 10.155 -2.455 1.00 1.41 C ATOM 2440 CG ASP A 155 -26.346 11.407 -3.303 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -25.276 11.737 -3.849 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -27.406 12.054 -3.447 1.00 1.86 O ATOM 0 H ASP A 155 -26.469 8.615 -0.234 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.776 10.831 -1.230 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.838 9.357 -2.967 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -27.407 9.820 -2.338 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.942 11.956 0.725 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.586 12.943 1.575 1.00 1.31 C ATOM 2449 C ASN A 156 -25.609 14.066 1.874 1.00 1.59 C ATOM 2450 O ASN A 156 -26.042 15.230 1.943 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.098 12.304 2.875 1.00 1.55 C ATOM 2452 CG ASN A 156 -25.991 11.699 3.719 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -25.448 12.344 4.615 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -25.659 10.449 3.449 1.00 2.27 N ATOM 2455 OXT ASN A 156 -24.396 13.783 1.971 1.00 2.05 O ATOM 0 H ASN A 156 -24.964 11.780 0.954 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.450 13.351 1.050 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -27.622 13.059 3.461 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -27.824 11.529 2.630 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -24.930 9.986 3.992 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -26.132 9.947 2.698 1.00 2.27 H new TER 2462 ASN A 156