USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=33 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= 0.989 K(o=2.1,f=-1.3) USER MOD Set 1.2: A 156 ASN : amide:sc= 1.1 K(o=2.1,f=-0.5) USER MOD Set 2.1: A 30 CYS SG : rot -150:sc= -1.89! USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.521 K(o=-1.4,f=-6!) USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0.585 USER MOD Set 3.2: A 93 THR OG1 : rot -128:sc= 1.24 USER MOD Set 3.3: A 115 ASN : amide:sc= 0.23 K(o=2.1,f=-3.9!) USER MOD Set 4.1: A 8 ASN :FLIP amide:sc= 0 F(o=-0.97,f=-0.15) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= -0.149 USER MOD Set 5.1: A 1 MET CE :methyl 153:sc= -0.605 (180deg=-1.8) USER MOD Set 5.2: A 150 HIS : no HD1:sc= 0 X(o=-0.6,f=-0.62) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.465 (180deg=-0.483) USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= -2.09! (180deg=-2.5!) USER MOD Single : A 5 GLN : amide:sc= 0.969 K(o=0.97,f=-7.8!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 1.22 K(o=1.2,f=-5.1!) USER MOD Single : A 16 SER OG : rot 82:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.796 K(o=-0.8,f=-6.9!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.158 F(o=-1.9!,f=-0.16) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 178:sc= -3.07! USER MOD Single : A 50 SER OG : rot -169:sc= 0.0183 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.592 K(o=-0.59,f=-7.3!) USER MOD Single : A 59 SER OG : rot 24:sc= 0.0211 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc=-0.00176 F(o=-1.3!,f=-0.0018) USER MOD Single : A 80 ASN : amide:sc= 0.393 K(o=0.39,f=-7.7!) USER MOD Single : A 98 THR OG1 : rot 170:sc= 0 USER MOD Single : A 99 CYS SG : rot -120:sc= 1.51 USER MOD Single : A 100 THR OG1 : rot 134:sc= 1.26 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.596 USER MOD Single : A 104 GLN : amide:sc= -3.03! C(o=-3!,f=-5.4!) USER MOD Single : A 111 TYR OH : rot 15:sc= -0.586 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0551 USER MOD Single : A 114 ASN :FLIP amide:sc= -0.907 F(o=-2.1!,f=-0.91) USER MOD Single : A 117 TYR OH : rot 162:sc= -3.84! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 125 ASN : amide:sc= 0.389 X(o=0.39,f=-0.037) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -29:sc= 0.016 USER MOD Single : A 134 LYS NZ :NH3+ 151:sc= 1.23 (180deg=-0.0733!) USER MOD Single : A 136 GLN :FLIP amide:sc= -2.1! C(o=-3.5!,f=-2.1!) USER MOD Single : A 138 ASN : amide:sc= -0.769 K(o=-0.77,f=-4.6!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 147 THR OG1 : rot 102:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.340 0.042 8.965 1.00 2.96 N ATOM 2 CA MET A 1 -22.494 1.342 8.271 1.00 2.49 C ATOM 3 C MET A 1 -21.710 1.354 6.963 1.00 1.61 C ATOM 4 O MET A 1 -22.021 2.118 6.048 1.00 2.04 O ATOM 5 CB MET A 1 -22.054 2.500 9.186 1.00 2.65 C ATOM 6 CG MET A 1 -20.586 2.474 9.610 1.00 2.26 C ATOM 7 SD MET A 1 -19.459 3.084 8.337 1.00 2.63 S ATOM 8 CE MET A 1 -20.058 4.759 8.120 1.00 2.46 C ATOM 0 H1 MET A 1 -22.868 0.062 9.861 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.711 -0.720 8.362 1.00 2.96 H new ATOM 0 H3 MET A 1 -21.333 -0.130 9.160 1.00 2.96 H new ATOM 0 HA MET A 1 -23.549 1.479 8.032 1.00 2.49 H new ATOM 0 HB2 MET A 1 -22.251 3.442 8.673 1.00 2.65 H new ATOM 0 HB3 MET A 1 -22.674 2.489 10.082 1.00 2.65 H new ATOM 0 HG2 MET A 1 -20.465 3.076 10.510 1.00 2.26 H new ATOM 0 HG3 MET A 1 -20.309 1.452 9.870 1.00 2.26 H new ATOM 0 HE1 MET A 1 -19.244 5.394 7.771 1.00 2.46 H new ATOM 0 HE2 MET A 1 -20.863 4.765 7.386 1.00 2.46 H new ATOM 0 HE3 MET A 1 -20.432 5.138 9.071 1.00 2.46 H new ATOM 18 N ALA A 2 -20.709 0.488 6.869 1.00 0.91 N ATOM 19 CA ALA A 2 -19.860 0.427 5.694 1.00 0.66 C ATOM 20 C ALA A 2 -20.400 -0.587 4.699 1.00 0.57 C ATOM 21 O ALA A 2 -20.861 -1.658 5.088 1.00 0.68 O ATOM 22 CB ALA A 2 -18.439 0.065 6.098 1.00 1.48 C ATOM 0 H ALA A 2 -20.467 -0.183 7.598 1.00 0.91 H new ATOM 0 HA ALA A 2 -19.853 1.407 5.216 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.808 0.021 5.210 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.051 0.820 6.782 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.438 -0.907 6.592 1.00 1.48 H new ATOM 28 N LYS A 3 -20.343 -0.252 3.416 1.00 0.46 N ATOM 29 CA LYS A 3 -20.813 -1.163 2.380 1.00 0.45 C ATOM 30 C LYS A 3 -19.743 -2.220 2.115 1.00 0.35 C ATOM 31 O LYS A 3 -20.015 -3.261 1.529 1.00 0.36 O ATOM 32 CB LYS A 3 -21.124 -0.424 1.066 1.00 0.54 C ATOM 33 CG LYS A 3 -21.807 0.936 1.203 1.00 0.82 C ATOM 34 CD LYS A 3 -23.197 0.861 1.820 1.00 0.81 C ATOM 35 CE LYS A 3 -23.170 1.192 3.302 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.534 1.281 3.878 1.00 0.98 N ATOM 0 H LYS A 3 -19.979 0.636 3.070 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.734 -1.626 2.735 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.190 -0.285 0.522 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.758 -1.066 0.454 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -21.182 1.587 1.814 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -21.880 1.397 0.218 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -23.862 1.553 1.304 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.605 -0.140 1.678 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -22.602 0.429 3.833 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -22.651 2.139 3.452 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -24.504 1.838 4.756 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.169 1.743 3.196 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -24.886 0.325 4.086 1.00 0.98 H new ATOM 50 N VAL A 4 -18.530 -1.939 2.576 1.00 0.32 N ATOM 51 CA VAL A 4 -17.382 -2.799 2.353 1.00 0.29 C ATOM 52 C VAL A 4 -16.571 -2.912 3.630 1.00 0.33 C ATOM 53 O VAL A 4 -16.220 -1.904 4.246 1.00 0.45 O ATOM 54 CB VAL A 4 -16.481 -2.264 1.208 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.030 -2.693 1.392 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.989 -2.754 -0.134 1.00 0.27 C ATOM 0 H VAL A 4 -18.318 -1.102 3.118 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.751 -3.782 2.059 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.523 -1.175 1.239 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.428 -2.301 0.572 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.653 -2.304 2.338 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.970 -3.781 1.398 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.348 -2.371 -0.928 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.977 -3.844 -0.152 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.008 -2.400 -0.289 1.00 0.27 H new ATOM 66 N GLN A 5 -16.302 -4.135 4.034 1.00 0.30 N ATOM 67 CA GLN A 5 -15.471 -4.393 5.188 1.00 0.34 C ATOM 68 C GLN A 5 -14.345 -5.343 4.807 1.00 0.31 C ATOM 69 O GLN A 5 -14.579 -6.526 4.557 1.00 0.32 O ATOM 70 CB GLN A 5 -16.313 -4.989 6.319 1.00 0.41 C ATOM 71 CG GLN A 5 -15.505 -5.397 7.538 1.00 0.72 C ATOM 72 CD GLN A 5 -14.816 -4.225 8.212 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.317 -3.101 8.198 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.655 -4.479 8.795 1.00 1.39 N ATOM 0 H GLN A 5 -16.652 -4.975 3.573 1.00 0.30 H new ATOM 0 HA GLN A 5 -15.039 -3.455 5.536 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.066 -4.261 6.621 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.847 -5.861 5.941 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.163 -5.886 8.256 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.755 -6.130 7.241 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.275 -5.425 8.784 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -13.141 -3.728 9.256 1.00 1.39 H new ATOM 83 N VAL A 6 -13.128 -4.822 4.719 1.00 0.32 N ATOM 84 CA VAL A 6 -11.979 -5.661 4.421 1.00 0.34 C ATOM 85 C VAL A 6 -11.688 -6.567 5.611 1.00 0.38 C ATOM 86 O VAL A 6 -11.965 -6.209 6.759 1.00 0.60 O ATOM 87 CB VAL A 6 -10.715 -4.839 4.068 1.00 0.38 C ATOM 88 CG1 VAL A 6 -11.005 -3.827 2.968 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.141 -4.159 5.299 1.00 1.32 C ATOM 0 H VAL A 6 -12.914 -3.833 4.848 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.230 -6.256 3.543 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.964 -5.533 3.691 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -10.099 -3.265 2.742 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -11.341 -4.349 2.072 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.784 -3.141 3.301 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.255 -3.589 5.020 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.886 -3.486 5.724 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.870 -4.913 6.038 1.00 1.32 H new ATOM 99 N ASN A 7 -11.154 -7.741 5.339 1.00 0.32 N ATOM 100 CA ASN A 7 -10.877 -8.709 6.390 1.00 0.36 C ATOM 101 C ASN A 7 -9.477 -9.267 6.240 1.00 0.37 C ATOM 102 O ASN A 7 -8.628 -9.101 7.117 1.00 0.46 O ATOM 103 CB ASN A 7 -11.896 -9.854 6.366 1.00 0.37 C ATOM 104 CG ASN A 7 -13.230 -9.477 6.987 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.428 -9.622 8.192 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.158 -8.999 6.171 1.00 0.53 N ATOM 0 H ASN A 7 -10.902 -8.051 4.400 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.956 -8.194 7.347 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.058 -10.167 5.335 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.483 -10.711 6.898 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.073 -8.737 6.537 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.957 -8.893 5.177 1.00 0.53 H new ATOM 113 N ASN A 8 -9.240 -9.921 5.117 1.00 0.33 N ATOM 114 CA ASN A 8 -7.950 -10.541 4.859 1.00 0.39 C ATOM 115 C ASN A 8 -7.149 -9.675 3.910 1.00 0.39 C ATOM 116 O ASN A 8 -7.657 -9.240 2.881 1.00 0.48 O ATOM 117 CB ASN A 8 -8.127 -11.944 4.270 1.00 0.44 C ATOM 118 CG ASN A 8 -6.813 -12.698 4.097 1.00 0.70 C ATOM 119 OD1 ASN A 8 -5.869 -12.491 5.004 1.00 1.25 O flip ATOM 120 ND2 ASN A 8 -6.655 -13.482 3.162 1.00 1.47 N flip ATOM 0 H ASN A 8 -9.923 -10.037 4.368 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.414 -10.634 5.803 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.786 -12.522 4.918 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.622 -11.864 3.302 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -7.401 -13.619 2.480 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -5.778 -13.995 3.069 1.00 1.47 H new ATOM 127 N VAL A 9 -5.913 -9.408 4.260 1.00 0.42 N ATOM 128 CA VAL A 9 -5.031 -8.670 3.387 1.00 0.45 C ATOM 129 C VAL A 9 -3.630 -9.273 3.436 1.00 0.50 C ATOM 130 O VAL A 9 -2.894 -9.129 4.413 1.00 0.60 O ATOM 131 CB VAL A 9 -5.024 -7.158 3.726 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.659 -6.903 5.181 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.097 -6.407 2.786 1.00 1.01 C ATOM 0 H VAL A 9 -5.494 -9.692 5.146 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.403 -8.753 2.366 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.037 -6.782 3.584 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.666 -5.830 5.375 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.385 -7.394 5.830 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.665 -7.302 5.382 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.104 -5.347 3.038 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.084 -6.797 2.886 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.437 -6.538 1.759 1.00 1.01 H new ATOM 143 N VAL A 10 -3.293 -10.008 2.388 1.00 0.52 N ATOM 144 CA VAL A 10 -2.047 -10.744 2.340 1.00 0.61 C ATOM 145 C VAL A 10 -0.968 -9.969 1.596 1.00 0.47 C ATOM 146 O VAL A 10 -1.148 -9.587 0.443 1.00 0.48 O ATOM 147 CB VAL A 10 -2.251 -12.105 1.648 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.967 -12.905 1.652 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.371 -12.888 2.310 1.00 1.24 C ATOM 0 H VAL A 10 -3.873 -10.109 1.555 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.723 -10.896 3.370 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.535 -11.917 0.613 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.133 -13.863 1.158 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.192 -12.352 1.120 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.649 -13.077 2.680 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.495 -13.845 1.803 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.124 -13.062 3.357 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.299 -12.320 2.246 1.00 1.24 H new ATOM 159 N VAL A 11 0.148 -9.733 2.267 1.00 0.44 N ATOM 160 CA VAL A 11 1.315 -9.149 1.623 1.00 0.39 C ATOM 161 C VAL A 11 2.256 -10.264 1.196 1.00 0.41 C ATOM 162 O VAL A 11 2.675 -11.075 2.023 1.00 0.52 O ATOM 163 CB VAL A 11 2.066 -8.179 2.559 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.202 -7.488 1.819 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.114 -7.157 3.152 1.00 0.91 C ATOM 0 H VAL A 11 0.271 -9.937 3.259 1.00 0.44 H new ATOM 0 HA VAL A 11 0.973 -8.580 0.759 1.00 0.39 H new ATOM 0 HB VAL A 11 2.494 -8.760 3.376 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.718 -6.809 2.497 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.904 -8.236 1.451 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.798 -6.924 0.978 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.666 -6.484 3.808 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.651 -6.583 2.350 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.341 -7.669 3.725 1.00 0.91 H new ATOM 175 N LEU A 12 2.563 -10.335 -0.087 1.00 0.40 N ATOM 176 CA LEU A 12 3.414 -11.408 -0.583 1.00 0.45 C ATOM 177 C LEU A 12 4.755 -10.882 -1.067 1.00 0.57 C ATOM 178 O LEU A 12 4.918 -9.684 -1.315 1.00 1.18 O ATOM 179 CB LEU A 12 2.758 -12.174 -1.736 1.00 0.50 C ATOM 180 CG LEU A 12 1.315 -12.623 -1.520 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.359 -11.515 -1.921 1.00 0.92 C ATOM 182 CD2 LEU A 12 1.033 -13.891 -2.306 1.00 1.16 C ATOM 0 H LEU A 12 2.243 -9.675 -0.796 1.00 0.40 H new ATOM 0 HA LEU A 12 3.564 -12.081 0.261 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.790 -11.545 -2.626 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.362 -13.056 -1.947 1.00 0.50 H new ATOM 0 HG LEU A 12 1.167 -12.840 -0.462 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.668 -11.845 -1.763 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.553 -10.630 -1.315 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.504 -11.272 -2.974 1.00 0.92 H new ATOM 0 HD21 LEU A 12 0.000 -14.199 -2.142 1.00 1.16 H new ATOM 0 HD22 LEU A 12 1.191 -13.704 -3.368 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.705 -14.682 -1.973 1.00 1.16 H new ATOM 194 N ASP A 13 5.704 -11.811 -1.166 1.00 0.84 N ATOM 195 CA ASP A 13 7.001 -11.597 -1.811 1.00 1.01 C ATOM 196 C ASP A 13 7.938 -10.762 -0.942 1.00 0.85 C ATOM 197 O ASP A 13 9.068 -10.481 -1.319 1.00 1.01 O ATOM 198 CB ASP A 13 6.826 -10.967 -3.198 1.00 1.29 C ATOM 199 CG ASP A 13 8.036 -11.181 -4.086 1.00 2.15 C ATOM 200 OD1 ASP A 13 8.160 -12.278 -4.673 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.866 -10.261 -4.202 1.00 2.57 O ATOM 0 H ASP A 13 5.592 -12.754 -0.793 1.00 0.84 H new ATOM 0 HA ASP A 13 7.466 -12.575 -1.938 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.946 -11.393 -3.679 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.644 -9.898 -3.088 1.00 1.29 H new ATOM 206 N ASN A 14 7.475 -10.382 0.231 1.00 0.68 N ATOM 207 CA ASN A 14 8.325 -9.698 1.197 1.00 0.63 C ATOM 208 C ASN A 14 9.054 -10.720 2.070 1.00 0.57 C ATOM 209 O ASN A 14 8.456 -11.698 2.518 1.00 0.67 O ATOM 210 CB ASN A 14 7.509 -8.741 2.080 1.00 0.78 C ATOM 211 CG ASN A 14 6.389 -9.432 2.843 1.00 0.96 C ATOM 212 OD1 ASN A 14 5.753 -10.360 2.348 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.146 -8.990 4.067 1.00 1.40 N ATOM 0 H ASN A 14 6.516 -10.533 0.543 1.00 0.68 H new ATOM 0 HA ASN A 14 9.056 -9.108 0.644 1.00 0.63 H new ATOM 0 HB2 ASN A 14 8.177 -8.255 2.791 1.00 0.78 H new ATOM 0 HB3 ASN A 14 7.083 -7.956 1.455 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.412 -9.422 4.629 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.692 -8.218 4.448 1.00 1.40 H new ATOM 220 N PRO A 15 10.365 -10.530 2.304 1.00 0.51 N ATOM 221 CA PRO A 15 11.152 -9.449 1.726 1.00 0.45 C ATOM 222 C PRO A 15 11.894 -9.864 0.452 1.00 0.44 C ATOM 223 O PRO A 15 12.358 -10.996 0.332 1.00 0.48 O ATOM 224 CB PRO A 15 12.156 -9.136 2.836 1.00 0.48 C ATOM 225 CG PRO A 15 12.234 -10.370 3.692 1.00 0.57 C ATOM 226 CD PRO A 15 11.192 -11.347 3.196 1.00 0.60 C ATOM 0 HA PRO A 15 10.527 -8.609 1.424 1.00 0.45 H new ATOM 0 HB2 PRO A 15 13.132 -8.889 2.419 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.833 -8.276 3.422 1.00 0.48 H new ATOM 0 HG2 PRO A 15 13.229 -10.812 3.635 1.00 0.57 H new ATOM 0 HG3 PRO A 15 12.056 -10.121 4.738 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.646 -12.186 2.668 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.608 -11.764 4.017 1.00 0.60 H new ATOM 234 N SER A 16 12.005 -8.933 -0.484 1.00 0.42 N ATOM 235 CA SER A 16 12.686 -9.175 -1.760 1.00 0.47 C ATOM 236 C SER A 16 13.219 -7.861 -2.319 1.00 0.45 C ATOM 237 O SER A 16 12.817 -6.799 -1.854 1.00 0.43 O ATOM 238 CB SER A 16 11.739 -9.824 -2.777 1.00 0.59 C ATOM 239 OG SER A 16 11.346 -11.122 -2.368 1.00 0.77 O ATOM 0 H SER A 16 11.629 -7.990 -0.387 1.00 0.42 H new ATOM 0 HA SER A 16 13.515 -9.859 -1.579 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.855 -9.198 -2.903 1.00 0.59 H new ATOM 0 HB3 SER A 16 12.231 -9.881 -3.748 1.00 0.59 H new ATOM 0 HG SER A 16 10.615 -11.053 -1.719 1.00 0.77 H new ATOM 245 N PRO A 17 14.140 -7.913 -3.303 1.00 0.52 N ATOM 246 CA PRO A 17 14.655 -6.713 -3.975 1.00 0.52 C ATOM 247 C PRO A 17 13.542 -5.742 -4.366 1.00 0.48 C ATOM 248 O PRO A 17 12.526 -6.151 -4.908 1.00 0.58 O ATOM 249 CB PRO A 17 15.335 -7.276 -5.220 1.00 0.60 C ATOM 250 CG PRO A 17 15.787 -8.634 -4.814 1.00 0.83 C ATOM 251 CD PRO A 17 14.767 -9.142 -3.829 1.00 0.63 C ATOM 0 HA PRO A 17 15.319 -6.136 -3.331 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.645 -7.322 -6.063 1.00 0.60 H new ATOM 0 HB3 PRO A 17 16.175 -6.654 -5.530 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.856 -9.295 -5.678 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.778 -8.595 -4.362 1.00 0.83 H new ATOM 0 HD2 PRO A 17 14.034 -9.790 -4.310 1.00 0.63 H new ATOM 0 HD3 PRO A 17 15.234 -9.724 -3.034 1.00 0.63 H new ATOM 259 N PHE A 18 13.782 -4.459 -4.110 1.00 0.41 N ATOM 260 CA PHE A 18 12.788 -3.387 -4.253 1.00 0.37 C ATOM 261 C PHE A 18 12.070 -3.379 -5.610 1.00 0.36 C ATOM 262 O PHE A 18 10.967 -2.844 -5.724 1.00 0.37 O ATOM 263 CB PHE A 18 13.491 -2.045 -3.994 1.00 0.38 C ATOM 264 CG PHE A 18 12.844 -0.844 -4.630 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.759 -0.241 -4.020 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.303 -0.333 -5.832 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.141 0.851 -4.590 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.691 0.764 -6.409 1.00 0.36 C ATOM 269 CZ PHE A 18 11.691 1.387 -5.819 1.00 0.37 C ATOM 0 H PHE A 18 14.691 -4.123 -3.790 1.00 0.41 H new ATOM 0 HA PHE A 18 11.999 -3.563 -3.522 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.541 -1.882 -2.917 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.518 -2.117 -4.353 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.391 -0.632 -3.083 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.146 -0.795 -6.323 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.270 1.296 -4.133 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.041 1.119 -7.367 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.284 2.291 -6.248 1.00 0.37 H new ATOM 279 N TYR A 19 12.670 -3.982 -6.626 1.00 0.38 N ATOM 280 CA TYR A 19 12.068 -4.003 -7.954 1.00 0.41 C ATOM 281 C TYR A 19 10.992 -5.079 -8.069 1.00 0.44 C ATOM 282 O TYR A 19 10.462 -5.326 -9.154 1.00 0.52 O ATOM 283 CB TYR A 19 13.134 -4.198 -9.030 1.00 0.45 C ATOM 284 CG TYR A 19 13.871 -2.924 -9.367 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.319 -2.003 -10.249 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.104 -2.632 -8.801 1.00 0.58 C ATOM 287 CE1 TYR A 19 13.976 -0.829 -10.556 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.764 -1.456 -9.103 1.00 0.64 C ATOM 289 CZ TYR A 19 15.196 -0.561 -9.981 1.00 0.57 C ATOM 290 OH TYR A 19 15.849 0.611 -10.283 1.00 0.65 O ATOM 0 H TYR A 19 13.568 -4.461 -6.559 1.00 0.38 H new ATOM 0 HA TYR A 19 11.589 -3.036 -8.108 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.850 -4.947 -8.693 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.664 -4.589 -9.932 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.360 -2.209 -10.702 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.554 -3.334 -8.115 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.534 -0.124 -11.245 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.721 -1.240 -8.652 1.00 0.64 H new ATOM 0 HH TYR A 19 16.697 0.648 -9.793 1.00 0.65 H new ATOM 300 N ASN A 20 10.668 -5.711 -6.951 1.00 0.44 N ATOM 301 CA ASN A 20 9.592 -6.683 -6.913 1.00 0.48 C ATOM 302 C ASN A 20 8.253 -5.963 -6.802 1.00 0.42 C ATOM 303 O ASN A 20 8.172 -4.866 -6.242 1.00 0.52 O ATOM 304 CB ASN A 20 9.775 -7.655 -5.738 1.00 0.61 C ATOM 305 CG ASN A 20 9.629 -6.998 -4.371 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.983 -5.839 -4.177 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.102 -7.740 -3.411 1.00 0.69 N ATOM 0 H ASN A 20 11.138 -5.566 -6.057 1.00 0.44 H new ATOM 0 HA ASN A 20 9.612 -7.262 -7.836 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.043 -8.458 -5.825 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.761 -8.113 -5.807 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.979 -7.352 -2.476 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.818 -8.700 -3.606 1.00 0.69 H new ATOM 314 N PRO A 21 7.186 -6.545 -7.352 1.00 0.41 N ATOM 315 CA PRO A 21 5.859 -5.950 -7.299 1.00 0.38 C ATOM 316 C PRO A 21 5.238 -6.064 -5.912 1.00 0.35 C ATOM 317 O PRO A 21 5.392 -7.077 -5.227 1.00 0.42 O ATOM 318 CB PRO A 21 5.040 -6.759 -8.318 1.00 0.44 C ATOM 319 CG PRO A 21 6.010 -7.664 -9.004 1.00 0.62 C ATOM 320 CD PRO A 21 7.179 -7.821 -8.072 1.00 0.57 C ATOM 0 HA PRO A 21 5.889 -4.883 -7.522 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.257 -7.332 -7.822 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.548 -6.100 -9.034 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.553 -8.630 -9.220 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.328 -7.241 -9.957 1.00 0.62 H new ATOM 0 HD2 PRO A 21 7.049 -8.667 -7.397 1.00 0.57 H new ATOM 0 HD3 PRO A 21 8.110 -7.986 -8.614 1.00 0.57 H new ATOM 328 N PHE A 22 4.570 -5.004 -5.488 1.00 0.33 N ATOM 329 CA PHE A 22 3.769 -5.044 -4.282 1.00 0.34 C ATOM 330 C PHE A 22 2.605 -5.993 -4.496 1.00 0.33 C ATOM 331 O PHE A 22 1.665 -5.676 -5.230 1.00 0.41 O ATOM 332 CB PHE A 22 3.242 -3.652 -3.917 1.00 0.37 C ATOM 333 CG PHE A 22 4.256 -2.756 -3.261 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.534 -2.867 -1.908 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.941 -1.806 -4.005 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.473 -2.049 -1.311 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.880 -0.985 -3.412 1.00 0.57 C ATOM 338 CZ PHE A 22 6.114 -1.091 -2.034 1.00 0.58 C ATOM 0 H PHE A 22 4.569 -4.103 -5.966 1.00 0.33 H new ATOM 0 HA PHE A 22 4.394 -5.391 -3.459 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.877 -3.166 -4.822 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.388 -3.764 -3.249 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.011 -3.601 -1.314 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.737 -1.707 -5.061 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.700 -2.171 -0.262 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.429 -0.268 -4.004 1.00 0.57 H new ATOM 0 HZ PHE A 22 6.801 -0.414 -1.548 1.00 0.58 H new ATOM 348 N GLN A 23 2.704 -7.173 -3.905 1.00 0.31 N ATOM 349 CA GLN A 23 1.659 -8.171 -4.017 1.00 0.34 C ATOM 350 C GLN A 23 0.724 -8.087 -2.823 1.00 0.33 C ATOM 351 O GLN A 23 1.115 -8.406 -1.700 1.00 0.38 O ATOM 352 CB GLN A 23 2.253 -9.582 -4.104 1.00 0.45 C ATOM 353 CG GLN A 23 3.176 -9.800 -5.286 1.00 0.97 C ATOM 354 CD GLN A 23 3.331 -11.267 -5.657 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.288 -12.057 -5.436 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 4.377 -11.689 -6.150 1.00 1.13 N flip ATOM 0 H GLN A 23 3.503 -7.462 -3.340 1.00 0.31 H new ATOM 0 HA GLN A 23 1.100 -7.971 -4.931 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.803 -9.789 -3.186 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.438 -10.304 -4.157 1.00 0.45 H new ATOM 0 HG2 GLN A 23 2.791 -9.252 -6.146 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.157 -9.384 -5.056 1.00 0.97 H new ATOM 0 HE21 GLN A 23 5.160 -11.054 -6.306 1.00 1.13 H new ATOM 0 HE22 GLN A 23 4.461 -12.674 -6.402 1.00 1.13 H new ATOM 365 N PHE A 24 -0.495 -7.637 -3.060 1.00 0.31 N ATOM 366 CA PHE A 24 -1.495 -7.577 -2.010 1.00 0.33 C ATOM 367 C PHE A 24 -2.714 -8.404 -2.382 1.00 0.36 C ATOM 368 O PHE A 24 -3.409 -8.102 -3.345 1.00 0.50 O ATOM 369 CB PHE A 24 -1.927 -6.139 -1.742 1.00 0.31 C ATOM 370 CG PHE A 24 -0.856 -5.271 -1.151 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.526 -5.385 0.187 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.197 -4.331 -1.923 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.441 -4.577 0.747 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.775 -3.521 -1.371 1.00 0.32 C ATOM 375 CZ PHE A 24 1.096 -3.641 -0.033 1.00 0.30 C ATOM 0 H PHE A 24 -0.816 -7.308 -3.970 1.00 0.31 H new ATOM 0 HA PHE A 24 -1.043 -7.984 -1.106 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.264 -5.693 -2.678 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.783 -6.149 -1.067 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.032 -6.116 0.801 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.446 -4.230 -2.969 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.687 -4.675 1.794 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.284 -2.793 -1.985 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.855 -3.007 0.402 1.00 0.30 H new ATOM 385 N GLU A 25 -2.973 -9.440 -1.613 1.00 0.31 N ATOM 386 CA GLU A 25 -4.158 -10.254 -1.820 1.00 0.34 C ATOM 387 C GLU A 25 -5.259 -9.746 -0.913 1.00 0.32 C ATOM 388 O GLU A 25 -5.341 -10.109 0.262 1.00 0.35 O ATOM 389 CB GLU A 25 -3.879 -11.737 -1.571 1.00 0.43 C ATOM 390 CG GLU A 25 -2.848 -12.313 -2.523 1.00 0.97 C ATOM 391 CD GLU A 25 -2.673 -13.809 -2.383 1.00 1.43 C ATOM 392 OE1 GLU A 25 -2.550 -14.302 -1.243 1.00 1.72 O ATOM 393 OE2 GLU A 25 -2.631 -14.498 -3.424 1.00 1.98 O ATOM 0 H GLU A 25 -2.381 -9.741 -0.839 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.470 -10.169 -2.861 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.533 -11.869 -0.546 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -4.809 -12.298 -1.668 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.141 -12.083 -3.547 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -1.889 -11.824 -2.348 1.00 0.97 H new ATOM 400 N ILE A 26 -6.074 -8.869 -1.462 1.00 0.30 N ATOM 401 CA ILE A 26 -7.062 -8.152 -0.690 1.00 0.30 C ATOM 402 C ILE A 26 -8.410 -8.857 -0.730 1.00 0.29 C ATOM 403 O ILE A 26 -9.029 -8.990 -1.787 1.00 0.32 O ATOM 404 CB ILE A 26 -7.214 -6.713 -1.213 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.861 -5.997 -1.179 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.248 -5.949 -0.392 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.854 -4.684 -1.929 1.00 0.29 C ATOM 0 H ILE A 26 -6.069 -8.635 -2.455 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.717 -8.124 0.344 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.563 -6.751 -2.245 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.581 -5.815 -0.141 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.101 -6.653 -1.604 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.341 -4.934 -0.778 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.212 -6.453 -0.461 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.931 -5.914 0.650 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.864 -4.232 -1.863 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.103 -4.861 -2.975 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.590 -4.010 -1.490 1.00 0.29 H new ATOM 419 N THR A 27 -8.841 -9.320 0.426 1.00 0.31 N ATOM 420 CA THR A 27 -10.143 -9.927 0.573 1.00 0.30 C ATOM 421 C THR A 27 -11.050 -9.005 1.378 1.00 0.27 C ATOM 422 O THR A 27 -10.885 -8.852 2.594 1.00 0.29 O ATOM 423 CB THR A 27 -10.037 -11.293 1.274 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.051 -12.099 0.616 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.374 -12.013 1.266 1.00 0.34 C ATOM 0 H THR A 27 -8.297 -9.285 1.288 1.00 0.31 H new ATOM 0 HA THR A 27 -10.565 -10.082 -0.420 1.00 0.30 H new ATOM 0 HB THR A 27 -9.743 -11.125 2.310 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.985 -12.967 1.066 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.272 -12.975 1.767 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.116 -11.409 1.788 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.695 -12.172 0.237 1.00 0.34 H new ATOM 433 N PHE A 28 -11.996 -8.378 0.696 1.00 0.23 N ATOM 434 CA PHE A 28 -12.904 -7.459 1.343 1.00 0.22 C ATOM 435 C PHE A 28 -14.336 -7.908 1.134 1.00 0.21 C ATOM 436 O PHE A 28 -14.722 -8.320 0.041 1.00 0.20 O ATOM 437 CB PHE A 28 -12.696 -6.031 0.830 1.00 0.21 C ATOM 438 CG PHE A 28 -13.111 -5.793 -0.597 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.327 -6.266 -1.634 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.290 -5.132 -0.901 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.705 -6.084 -2.947 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.678 -4.951 -2.216 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.869 -5.283 -3.218 1.00 0.28 C ATOM 0 H PHE A 28 -12.151 -8.492 -0.306 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.694 -7.459 2.413 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.252 -5.348 1.472 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.641 -5.776 0.932 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.406 -6.785 -1.412 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.912 -4.754 -0.103 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -12.141 -6.532 -3.752 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.651 -4.535 -2.432 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.084 -4.955 -4.224 1.00 0.28 H new ATOM 453 N GLU A 29 -15.114 -7.840 2.189 1.00 0.22 N ATOM 454 CA GLU A 29 -16.467 -8.337 2.159 1.00 0.23 C ATOM 455 C GLU A 29 -17.464 -7.192 2.141 1.00 0.25 C ATOM 456 O GLU A 29 -17.567 -6.421 3.096 1.00 0.29 O ATOM 457 CB GLU A 29 -16.706 -9.247 3.359 1.00 0.26 C ATOM 458 CG GLU A 29 -18.089 -9.872 3.388 1.00 0.33 C ATOM 459 CD GLU A 29 -18.180 -11.006 4.379 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.022 -10.752 5.589 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.440 -12.152 3.963 1.00 0.67 O ATOM 0 H GLU A 29 -14.829 -7.442 3.084 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.611 -8.913 1.245 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.959 -10.041 3.356 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.558 -8.673 4.274 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.825 -9.110 3.642 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.341 -10.240 2.393 1.00 0.33 H new ATOM 468 N CYS A 30 -18.178 -7.078 1.039 1.00 0.24 N ATOM 469 CA CYS A 30 -19.212 -6.076 0.905 1.00 0.28 C ATOM 470 C CYS A 30 -20.439 -6.497 1.701 1.00 0.33 C ATOM 471 O CYS A 30 -21.091 -7.490 1.374 1.00 0.35 O ATOM 472 CB CYS A 30 -19.574 -5.883 -0.566 1.00 0.29 C ATOM 473 SG CYS A 30 -18.155 -5.554 -1.636 1.00 0.51 S ATOM 0 H CYS A 30 -18.058 -7.672 0.219 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.843 -5.128 1.296 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -20.086 -6.776 -0.924 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.279 -5.056 -0.650 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.529 -4.815 -2.638 1.00 0.51 H new ATOM 479 N ILE A 31 -20.728 -5.754 2.758 1.00 0.39 N ATOM 480 CA ILE A 31 -21.876 -6.037 3.603 1.00 0.45 C ATOM 481 C ILE A 31 -23.138 -5.640 2.859 1.00 0.48 C ATOM 482 O ILE A 31 -24.210 -6.224 3.038 1.00 0.53 O ATOM 483 CB ILE A 31 -21.799 -5.257 4.935 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.377 -5.319 5.506 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.806 -5.816 5.934 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.222 -4.612 6.835 1.00 0.52 C ATOM 0 H ILE A 31 -20.179 -4.946 3.052 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.885 -7.102 3.835 1.00 0.45 H new ATOM 0 HB ILE A 31 -22.047 -4.213 4.745 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.088 -6.363 5.625 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.687 -4.877 4.787 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.741 -5.257 6.868 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.813 -5.725 5.526 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.586 -6.866 6.124 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.190 -4.699 7.175 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.478 -3.559 6.719 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.886 -5.068 7.569 1.00 0.52 H new ATOM 498 N GLU A 32 -22.971 -4.652 2.001 1.00 0.49 N ATOM 499 CA GLU A 32 -24.040 -4.135 1.173 1.00 0.53 C ATOM 500 C GLU A 32 -23.492 -3.913 -0.227 1.00 0.52 C ATOM 501 O GLU A 32 -22.276 -3.843 -0.410 1.00 0.51 O ATOM 502 CB GLU A 32 -24.568 -2.820 1.749 1.00 0.60 C ATOM 503 CG GLU A 32 -25.155 -2.952 3.147 1.00 0.84 C ATOM 504 CD GLU A 32 -25.407 -1.613 3.805 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.216 -0.825 3.275 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.821 -1.340 4.872 1.00 1.83 O ATOM 0 H GLU A 32 -22.078 -4.181 1.859 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.866 -4.846 1.143 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.756 -2.093 1.773 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.332 -2.422 1.081 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.092 -3.507 3.092 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.475 -3.535 3.768 1.00 0.84 H new ATOM 513 N ASP A 33 -24.365 -3.813 -1.208 1.00 0.62 N ATOM 514 CA ASP A 33 -23.918 -3.603 -2.575 1.00 0.65 C ATOM 515 C ASP A 33 -23.665 -2.121 -2.814 1.00 0.65 C ATOM 516 O ASP A 33 -24.428 -1.264 -2.363 1.00 0.79 O ATOM 517 CB ASP A 33 -24.928 -4.156 -3.592 1.00 0.76 C ATOM 518 CG ASP A 33 -26.151 -3.280 -3.775 1.00 1.44 C ATOM 519 OD1 ASP A 33 -27.076 -3.350 -2.935 1.00 2.18 O ATOM 520 OD2 ASP A 33 -26.204 -2.533 -4.776 1.00 2.01 O ATOM 0 H ASP A 33 -25.376 -3.872 -1.090 1.00 0.62 H new ATOM 0 HA ASP A 33 -22.986 -4.150 -2.717 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -24.431 -4.277 -4.555 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.247 -5.148 -3.271 1.00 0.76 H new ATOM 525 N LEU A 34 -22.572 -1.824 -3.494 1.00 0.57 N ATOM 526 CA LEU A 34 -22.189 -0.449 -3.759 1.00 0.57 C ATOM 527 C LEU A 34 -22.856 0.045 -5.032 1.00 0.64 C ATOM 528 O LEU A 34 -22.986 -0.701 -6.007 1.00 0.71 O ATOM 529 CB LEU A 34 -20.662 -0.315 -3.873 1.00 0.55 C ATOM 530 CG LEU A 34 -19.876 -0.468 -2.561 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.922 -1.898 -2.044 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.437 -0.029 -2.755 1.00 1.41 C ATOM 0 H LEU A 34 -21.931 -2.521 -3.874 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.523 0.165 -2.922 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.302 -1.064 -4.579 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.433 0.662 -4.300 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.349 0.172 -1.816 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.356 -1.968 -1.115 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -20.957 -2.185 -1.860 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.486 -2.567 -2.786 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -17.892 -0.143 -1.818 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -17.969 -0.644 -3.523 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.414 1.016 -3.063 1.00 1.41 H new ATOM 544 N SER A 35 -23.296 1.293 -5.014 1.00 0.75 N ATOM 545 CA SER A 35 -23.950 1.889 -6.168 1.00 0.89 C ATOM 546 C SER A 35 -22.984 2.789 -6.927 1.00 0.75 C ATOM 547 O SER A 35 -23.236 3.173 -8.069 1.00 0.92 O ATOM 548 CB SER A 35 -25.180 2.675 -5.724 1.00 1.14 C ATOM 549 OG SER A 35 -26.104 1.824 -5.066 1.00 1.55 O ATOM 0 H SER A 35 -23.212 1.915 -4.210 1.00 0.75 H new ATOM 0 HA SER A 35 -24.268 1.091 -6.839 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.881 3.482 -5.056 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.655 3.137 -6.589 1.00 1.14 H new ATOM 0 HG SER A 35 -26.886 2.344 -4.786 1.00 1.55 H new ATOM 555 N GLU A 36 -21.877 3.117 -6.287 1.00 0.61 N ATOM 556 CA GLU A 36 -20.824 3.877 -6.930 1.00 0.51 C ATOM 557 C GLU A 36 -19.587 2.998 -7.087 1.00 0.44 C ATOM 558 O GLU A 36 -19.525 1.900 -6.526 1.00 0.53 O ATOM 559 CB GLU A 36 -20.508 5.150 -6.131 1.00 0.63 C ATOM 560 CG GLU A 36 -21.493 6.281 -6.385 1.00 1.48 C ATOM 561 CD GLU A 36 -21.050 7.594 -5.768 1.00 2.16 C ATOM 562 OE1 GLU A 36 -19.948 8.074 -6.107 1.00 2.95 O ATOM 563 OE2 GLU A 36 -21.806 8.154 -4.942 1.00 2.46 O ATOM 0 H GLU A 36 -21.684 2.867 -5.317 1.00 0.61 H new ATOM 0 HA GLU A 36 -21.157 4.189 -7.920 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.506 4.912 -5.067 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.503 5.489 -6.384 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.618 6.413 -7.460 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -22.468 6.006 -5.982 1.00 1.48 H new ATOM 570 N ASP A 37 -18.620 3.465 -7.860 1.00 0.37 N ATOM 571 CA ASP A 37 -17.401 2.703 -8.095 1.00 0.36 C ATOM 572 C ASP A 37 -16.483 2.805 -6.891 1.00 0.35 C ATOM 573 O ASP A 37 -16.470 3.816 -6.191 1.00 0.50 O ATOM 574 CB ASP A 37 -16.686 3.174 -9.372 1.00 0.49 C ATOM 575 CG ASP A 37 -16.512 4.679 -9.446 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.449 5.378 -9.885 1.00 1.88 O ATOM 577 OD2 ASP A 37 -15.439 5.175 -9.046 1.00 1.30 O ATOM 0 H ASP A 37 -18.654 4.367 -8.336 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.673 1.657 -8.240 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.706 2.700 -9.427 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.252 2.838 -10.241 1.00 0.49 H new ATOM 582 N LEU A 38 -15.739 1.743 -6.633 1.00 0.30 N ATOM 583 CA LEU A 38 -14.871 1.695 -5.470 1.00 0.31 C ATOM 584 C LEU A 38 -13.416 1.855 -5.887 1.00 0.28 C ATOM 585 O LEU A 38 -12.887 1.033 -6.635 1.00 0.29 O ATOM 586 CB LEU A 38 -15.071 0.371 -4.730 1.00 0.39 C ATOM 587 CG LEU A 38 -14.458 0.306 -3.337 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.905 1.507 -2.521 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.860 -0.983 -2.643 1.00 1.32 C ATOM 0 H LEU A 38 -15.719 0.904 -7.212 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.128 2.517 -4.802 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -16.141 0.177 -4.648 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.647 -0.432 -5.334 1.00 0.39 H new ATOM 0 HG LEU A 38 -13.372 0.324 -3.427 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.464 1.455 -1.526 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.581 2.423 -3.015 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -15.992 1.505 -2.436 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.414 -1.015 -1.649 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.946 -1.026 -2.556 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.509 -1.835 -3.226 1.00 1.32 H new ATOM 601 N GLU A 39 -12.775 2.906 -5.391 1.00 0.30 N ATOM 602 CA GLU A 39 -11.403 3.214 -5.770 1.00 0.32 C ATOM 603 C GLU A 39 -10.409 2.606 -4.788 1.00 0.31 C ATOM 604 O GLU A 39 -10.350 2.993 -3.622 1.00 0.43 O ATOM 605 CB GLU A 39 -11.193 4.729 -5.852 1.00 0.42 C ATOM 606 CG GLU A 39 -9.776 5.121 -6.242 1.00 0.50 C ATOM 607 CD GLU A 39 -9.587 6.620 -6.364 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.339 7.282 -5.332 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.660 7.142 -7.497 1.00 0.92 O ATOM 0 H GLU A 39 -13.185 3.560 -4.724 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.227 2.777 -6.753 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.891 5.146 -6.578 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.433 5.175 -4.887 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.080 4.732 -5.499 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.523 4.650 -7.192 1.00 0.50 H new ATOM 616 N TRP A 40 -9.644 1.642 -5.273 1.00 0.24 N ATOM 617 CA TRP A 40 -8.545 1.062 -4.513 1.00 0.23 C ATOM 618 C TRP A 40 -7.234 1.640 -5.014 1.00 0.24 C ATOM 619 O TRP A 40 -6.853 1.419 -6.161 1.00 0.28 O ATOM 620 CB TRP A 40 -8.530 -0.463 -4.662 1.00 0.24 C ATOM 621 CG TRP A 40 -9.758 -1.124 -4.125 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.951 -1.289 -4.769 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.913 -1.709 -2.832 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.841 -1.935 -3.950 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.225 -2.204 -2.754 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.066 -1.865 -1.730 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.713 -2.838 -1.617 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.553 -2.496 -0.601 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.865 -2.975 -0.553 1.00 0.40 C ATOM 0 H TRP A 40 -9.765 1.239 -6.202 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.677 1.302 -3.458 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.422 -0.717 -5.717 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.656 -0.862 -4.147 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -11.162 -0.959 -5.775 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.803 -2.176 -4.190 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.050 -1.499 -1.761 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.726 -3.209 -1.576 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.910 -2.621 0.257 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.217 -3.464 0.344 1.00 0.40 H new ATOM 640 N LYS A 41 -6.551 2.397 -4.176 1.00 0.25 N ATOM 641 CA LYS A 41 -5.341 3.072 -4.606 1.00 0.25 C ATOM 642 C LYS A 41 -4.167 2.712 -3.704 1.00 0.23 C ATOM 643 O LYS A 41 -4.294 2.719 -2.479 1.00 0.27 O ATOM 644 CB LYS A 41 -5.559 4.585 -4.586 1.00 0.37 C ATOM 645 CG LYS A 41 -4.653 5.345 -5.535 1.00 0.63 C ATOM 646 CD LYS A 41 -4.753 6.844 -5.321 1.00 0.65 C ATOM 647 CE LYS A 41 -6.119 7.347 -5.746 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.339 8.773 -5.398 1.00 1.23 N ATOM 0 H LYS A 41 -6.810 2.559 -3.203 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.109 2.748 -5.620 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.597 4.797 -4.842 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.399 4.953 -3.572 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.622 5.024 -5.390 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.920 5.105 -6.564 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.582 7.080 -4.271 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -3.977 7.352 -5.893 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -6.230 7.219 -6.823 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.889 6.739 -5.272 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.287 9.064 -5.711 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.262 8.895 -4.368 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.623 9.360 -5.871 1.00 1.23 H new ATOM 662 N ILE A 42 -3.023 2.409 -4.303 1.00 0.22 N ATOM 663 CA ILE A 42 -1.824 2.142 -3.523 1.00 0.24 C ATOM 664 C ILE A 42 -0.883 3.328 -3.603 1.00 0.25 C ATOM 665 O ILE A 42 -0.323 3.626 -4.660 1.00 0.31 O ATOM 666 CB ILE A 42 -1.059 0.879 -3.980 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.974 -0.347 -3.962 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.159 0.654 -3.085 1.00 0.37 C ATOM 669 CD1 ILE A 42 -1.226 -1.664 -3.993 1.00 0.46 C ATOM 0 H ILE A 42 -2.901 2.343 -5.313 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.161 1.970 -2.501 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.719 1.030 -5.005 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.595 -0.313 -3.067 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.646 -0.301 -4.819 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.692 -0.238 -3.414 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.822 1.517 -3.149 1.00 0.37 H new ATOM 0 HG23 ILE A 42 -0.167 0.522 -2.053 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.939 -2.488 -3.978 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.626 -1.720 -4.901 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.574 -1.733 -3.122 1.00 0.46 H new ATOM 681 N ILE A 43 -0.729 4.006 -2.485 1.00 0.24 N ATOM 682 CA ILE A 43 0.163 5.139 -2.395 1.00 0.27 C ATOM 683 C ILE A 43 1.381 4.762 -1.568 1.00 0.26 C ATOM 684 O ILE A 43 1.268 4.426 -0.388 1.00 0.30 O ATOM 685 CB ILE A 43 -0.529 6.359 -1.757 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.793 6.721 -2.538 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.424 7.546 -1.704 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.571 7.870 -1.933 1.00 0.69 C ATOM 0 H ILE A 43 -1.217 3.787 -1.617 1.00 0.24 H new ATOM 0 HA ILE A 43 0.462 5.411 -3.407 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.814 6.102 -0.737 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.517 6.979 -3.560 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.439 5.845 -2.593 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.082 8.399 -1.251 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.299 7.284 -1.109 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.738 7.806 -2.715 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.454 8.071 -2.540 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.878 7.608 -0.920 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -1.942 8.759 -1.903 1.00 0.69 H new ATOM 700 N TYR A 44 2.536 4.789 -2.195 1.00 0.29 N ATOM 701 CA TYR A 44 3.775 4.492 -1.506 1.00 0.29 C ATOM 702 C TYR A 44 4.411 5.795 -1.048 1.00 0.28 C ATOM 703 O TYR A 44 4.484 6.748 -1.818 1.00 0.33 O ATOM 704 CB TYR A 44 4.715 3.708 -2.429 1.00 0.32 C ATOM 705 CG TYR A 44 6.027 3.311 -1.784 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.091 2.242 -0.896 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.200 3.997 -2.068 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.287 1.873 -0.310 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.400 3.632 -1.488 1.00 0.45 C ATOM 710 CZ TYR A 44 8.439 2.570 -0.609 1.00 0.49 C ATOM 711 OH TYR A 44 9.634 2.202 -0.030 1.00 0.59 O ATOM 0 H TYR A 44 2.645 5.014 -3.184 1.00 0.29 H new ATOM 0 HA TYR A 44 3.577 3.872 -0.632 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.204 2.808 -2.771 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.925 4.311 -3.313 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.192 1.692 -0.661 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.174 4.831 -2.754 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.319 1.042 0.379 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.303 4.176 -1.722 1.00 0.45 H new ATOM 0 HH TYR A 44 10.347 2.794 -0.347 1.00 0.59 H new ATOM 721 N VAL A 45 4.824 5.851 0.214 1.00 0.27 N ATOM 722 CA VAL A 45 5.471 7.043 0.748 1.00 0.28 C ATOM 723 C VAL A 45 6.729 7.352 -0.045 1.00 0.30 C ATOM 724 O VAL A 45 7.609 6.506 -0.177 1.00 0.36 O ATOM 725 CB VAL A 45 5.838 6.886 2.241 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.606 8.097 2.748 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.595 6.666 3.082 1.00 0.34 C ATOM 0 H VAL A 45 4.723 5.088 0.883 1.00 0.27 H new ATOM 0 HA VAL A 45 4.759 7.863 0.659 1.00 0.28 H new ATOM 0 HB VAL A 45 6.480 6.010 2.332 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.850 7.958 3.801 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.526 8.211 2.174 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.993 8.991 2.633 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.878 6.558 4.129 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.926 7.520 2.973 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.086 5.762 2.749 1.00 0.34 H new ATOM 737 N GLY A 46 6.792 8.551 -0.594 1.00 0.32 N ATOM 738 CA GLY A 46 7.956 8.943 -1.350 1.00 0.39 C ATOM 739 C GLY A 46 9.155 9.161 -0.463 1.00 0.41 C ATOM 740 O GLY A 46 10.230 8.640 -0.730 1.00 0.47 O ATOM 0 H GLY A 46 6.060 9.258 -0.530 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.185 8.174 -2.088 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.740 9.859 -1.900 1.00 0.39 H new ATOM 744 N SER A 47 8.973 9.935 0.597 1.00 0.43 N ATOM 745 CA SER A 47 10.056 10.234 1.503 1.00 0.48 C ATOM 746 C SER A 47 9.587 10.179 2.952 1.00 0.51 C ATOM 747 O SER A 47 8.570 10.760 3.284 1.00 0.49 O ATOM 748 CB SER A 47 10.583 11.630 1.172 1.00 0.53 C ATOM 749 OG SER A 47 11.430 12.129 2.186 1.00 1.23 O ATOM 0 H SER A 47 8.082 10.365 0.845 1.00 0.43 H new ATOM 0 HA SER A 47 10.846 9.492 1.385 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.127 11.598 0.228 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.743 12.311 1.033 1.00 0.53 H new ATOM 0 HG SER A 47 11.773 13.008 1.922 1.00 1.23 H new ATOM 755 N ALA A 48 10.315 9.476 3.808 1.00 0.62 N ATOM 756 CA ALA A 48 10.067 9.540 5.247 1.00 0.70 C ATOM 757 C ALA A 48 10.346 10.948 5.772 1.00 0.75 C ATOM 758 O ALA A 48 9.933 11.312 6.870 1.00 0.82 O ATOM 759 CB ALA A 48 10.922 8.519 5.987 1.00 0.81 C ATOM 0 H ALA A 48 11.079 8.857 3.536 1.00 0.62 H new ATOM 0 HA ALA A 48 9.018 9.302 5.425 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.722 8.584 7.057 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.681 7.517 5.633 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.976 8.725 5.802 1.00 0.81 H new ATOM 765 N GLU A 49 11.043 11.732 4.962 1.00 0.75 N ATOM 766 CA GLU A 49 11.370 13.109 5.296 1.00 0.83 C ATOM 767 C GLU A 49 10.224 14.050 4.916 1.00 0.82 C ATOM 768 O GLU A 49 9.788 14.867 5.727 1.00 0.93 O ATOM 769 CB GLU A 49 12.654 13.518 4.566 1.00 0.90 C ATOM 770 CG GLU A 49 12.989 14.996 4.663 1.00 1.06 C ATOM 771 CD GLU A 49 14.094 15.395 3.707 1.00 1.48 C ATOM 772 OE1 GLU A 49 13.796 15.686 2.532 1.00 1.96 O ATOM 773 OE2 GLU A 49 15.268 15.427 4.133 1.00 1.99 O ATOM 0 H GLU A 49 11.398 11.430 4.054 1.00 0.75 H new ATOM 0 HA GLU A 49 11.523 13.183 6.373 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.486 12.942 4.971 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.561 13.248 3.514 1.00 0.90 H new ATOM 0 HG2 GLU A 49 12.096 15.584 4.450 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.290 15.232 5.683 1.00 1.06 H new ATOM 780 N SER A 50 9.735 13.929 3.684 1.00 0.74 N ATOM 781 CA SER A 50 8.715 14.843 3.183 1.00 0.79 C ATOM 782 C SER A 50 7.335 14.194 3.147 1.00 0.75 C ATOM 783 O SER A 50 6.329 14.833 3.456 1.00 1.26 O ATOM 784 CB SER A 50 9.102 15.338 1.792 1.00 0.96 C ATOM 785 OG SER A 50 8.136 16.234 1.273 1.00 1.72 O ATOM 0 H SER A 50 10.027 13.212 3.020 1.00 0.74 H new ATOM 0 HA SER A 50 8.659 15.688 3.869 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.072 15.833 1.838 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.210 14.487 1.119 1.00 0.96 H new ATOM 0 HG SER A 50 8.316 16.394 0.323 1.00 1.72 H new ATOM 791 N GLU A 51 7.313 12.925 2.764 1.00 0.78 N ATOM 792 CA GLU A 51 6.090 12.130 2.590 1.00 0.71 C ATOM 793 C GLU A 51 5.240 12.605 1.410 1.00 0.74 C ATOM 794 O GLU A 51 4.630 11.792 0.724 1.00 0.80 O ATOM 795 CB GLU A 51 5.240 12.078 3.867 1.00 0.85 C ATOM 796 CG GLU A 51 5.897 11.321 5.011 1.00 1.46 C ATOM 797 CD GLU A 51 4.911 10.929 6.094 1.00 1.68 C ATOM 798 OE1 GLU A 51 4.264 11.828 6.671 1.00 2.02 O ATOM 799 OE2 GLU A 51 4.773 9.718 6.373 1.00 2.09 O ATOM 0 H GLU A 51 8.163 12.400 2.559 1.00 0.78 H new ATOM 0 HA GLU A 51 6.432 11.119 2.369 1.00 0.71 H new ATOM 0 HB2 GLU A 51 5.027 13.096 4.192 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.283 11.610 3.636 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.377 10.424 4.620 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.683 11.939 5.446 1.00 1.46 H new ATOM 806 N GLU A 52 5.224 13.910 1.162 1.00 0.78 N ATOM 807 CA GLU A 52 4.469 14.486 0.052 1.00 0.89 C ATOM 808 C GLU A 52 5.088 14.071 -1.286 1.00 0.78 C ATOM 809 O GLU A 52 4.527 14.305 -2.356 1.00 0.85 O ATOM 810 CB GLU A 52 4.439 16.007 0.195 1.00 1.09 C ATOM 811 CG GLU A 52 3.390 16.687 -0.652 1.00 1.70 C ATOM 812 CD GLU A 52 3.139 18.112 -0.212 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.516 18.301 0.851 1.00 2.83 O ATOM 814 OE2 GLU A 52 3.560 19.044 -0.927 1.00 2.43 O ATOM 0 H GLU A 52 5.731 14.597 1.721 1.00 0.78 H new ATOM 0 HA GLU A 52 3.446 14.111 0.075 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.265 16.259 1.241 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.418 16.405 -0.070 1.00 1.09 H new ATOM 0 HG2 GLU A 52 3.707 16.681 -1.695 1.00 1.70 H new ATOM 0 HG3 GLU A 52 2.459 16.122 -0.598 1.00 1.70 H new ATOM 821 N TYR A 53 6.247 13.430 -1.198 1.00 0.65 N ATOM 822 CA TYR A 53 6.943 12.877 -2.358 1.00 0.61 C ATOM 823 C TYR A 53 6.342 11.529 -2.754 1.00 0.52 C ATOM 824 O TYR A 53 6.901 10.819 -3.589 1.00 0.52 O ATOM 825 CB TYR A 53 8.425 12.679 -2.026 1.00 0.62 C ATOM 826 CG TYR A 53 9.223 13.953 -1.859 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.692 15.163 -2.277 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.487 13.956 -1.281 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.389 16.339 -2.132 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.194 15.135 -1.128 1.00 1.01 C ATOM 831 CZ TYR A 53 10.739 16.261 -1.550 1.00 1.25 C ATOM 832 OH TYR A 53 11.335 17.502 -1.406 1.00 1.48 O ATOM 0 H TYR A 53 6.735 13.277 -0.315 1.00 0.65 H new ATOM 0 HA TYR A 53 6.835 13.576 -3.187 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.501 12.099 -1.106 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.882 12.084 -2.817 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.710 15.182 -2.726 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.923 13.026 -0.947 1.00 0.83 H new ATOM 0 HE1 TYR A 53 8.962 17.284 -2.434 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.157 15.109 -0.640 1.00 1.01 H new ATOM 0 HH TYR A 53 12.227 17.393 -1.015 1.00 1.48 H new ATOM 842 N ASP A 54 5.210 11.189 -2.147 1.00 0.52 N ATOM 843 CA ASP A 54 4.588 9.879 -2.327 1.00 0.52 C ATOM 844 C ASP A 54 4.276 9.589 -3.792 1.00 0.57 C ATOM 845 O ASP A 54 3.908 10.484 -4.558 1.00 0.68 O ATOM 846 CB ASP A 54 3.313 9.765 -1.481 1.00 0.65 C ATOM 847 CG ASP A 54 2.242 10.769 -1.863 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.531 10.534 -2.862 1.00 1.22 O ATOM 849 OD2 ASP A 54 2.124 11.809 -1.186 1.00 1.22 O ATOM 0 H ASP A 54 4.699 11.809 -1.519 1.00 0.52 H new ATOM 0 HA ASP A 54 5.308 9.133 -1.990 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.908 8.758 -1.582 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.570 9.902 -0.431 1.00 0.65 H new ATOM 854 N GLN A 55 4.459 8.336 -4.178 1.00 0.54 N ATOM 855 CA GLN A 55 4.168 7.901 -5.532 1.00 0.60 C ATOM 856 C GLN A 55 2.913 7.036 -5.557 1.00 0.46 C ATOM 857 O GLN A 55 2.874 5.965 -4.944 1.00 0.57 O ATOM 858 CB GLN A 55 5.326 7.086 -6.127 1.00 0.78 C ATOM 859 CG GLN A 55 6.718 7.663 -5.897 1.00 0.87 C ATOM 860 CD GLN A 55 7.369 7.130 -4.632 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.699 6.832 -3.650 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.679 6.969 -4.663 1.00 0.81 N ATOM 0 H GLN A 55 4.810 7.599 -3.567 1.00 0.54 H new ATOM 0 HA GLN A 55 4.020 8.801 -6.128 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.294 6.081 -5.707 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.165 6.988 -7.201 1.00 0.78 H new ATOM 0 HG2 GLN A 55 7.351 7.429 -6.753 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.652 8.749 -5.837 1.00 0.87 H new ATOM 0 HE21 GLN A 55 9.205 7.228 -5.498 1.00 0.81 H new ATOM 0 HE22 GLN A 55 9.165 6.586 -3.852 1.00 0.81 H new ATOM 871 N VAL A 56 1.886 7.508 -6.242 1.00 0.41 N ATOM 872 CA VAL A 56 0.715 6.692 -6.500 1.00 0.37 C ATOM 873 C VAL A 56 1.066 5.617 -7.520 1.00 0.36 C ATOM 874 O VAL A 56 1.253 5.906 -8.704 1.00 0.44 O ATOM 875 CB VAL A 56 -0.474 7.529 -7.022 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.668 6.637 -7.333 1.00 0.80 C ATOM 877 CG2 VAL A 56 -0.860 8.602 -6.014 1.00 1.08 C ATOM 0 H VAL A 56 1.840 8.451 -6.629 1.00 0.41 H new ATOM 0 HA VAL A 56 0.410 6.239 -5.557 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.163 8.019 -7.945 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.493 7.248 -7.699 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.390 5.909 -8.095 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.977 6.114 -6.428 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.699 9.180 -6.401 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.147 8.131 -5.074 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.011 9.264 -5.844 1.00 1.08 H new ATOM 887 N LEU A 57 1.185 4.387 -7.045 1.00 0.34 N ATOM 888 CA LEU A 57 1.568 3.269 -7.894 1.00 0.39 C ATOM 889 C LEU A 57 0.487 2.955 -8.909 1.00 0.36 C ATOM 890 O LEU A 57 0.687 3.104 -10.114 1.00 0.48 O ATOM 891 CB LEU A 57 1.852 2.035 -7.042 1.00 0.44 C ATOM 892 CG LEU A 57 3.156 2.084 -6.256 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.264 0.889 -5.329 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.333 2.124 -7.211 1.00 0.77 C ATOM 0 H LEU A 57 1.021 4.137 -6.070 1.00 0.34 H new ATOM 0 HA LEU A 57 2.472 3.552 -8.434 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.028 1.897 -6.342 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.869 1.159 -7.691 1.00 0.44 H new ATOM 0 HG LEU A 57 3.166 2.988 -5.647 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.202 0.941 -4.776 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.429 0.895 -4.629 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.239 -0.030 -5.915 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.262 2.159 -6.642 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.324 1.232 -7.837 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.260 3.010 -7.841 1.00 0.77 H new ATOM 906 N ASP A 58 -0.661 2.528 -8.416 1.00 0.31 N ATOM 907 CA ASP A 58 -1.773 2.176 -9.281 1.00 0.35 C ATOM 908 C ASP A 58 -3.078 2.365 -8.529 1.00 0.33 C ATOM 909 O ASP A 58 -3.070 2.615 -7.318 1.00 0.33 O ATOM 910 CB ASP A 58 -1.637 0.728 -9.762 1.00 0.43 C ATOM 911 CG ASP A 58 -2.418 0.456 -11.031 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.879 0.681 -12.134 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.582 0.017 -10.926 1.00 1.31 O ATOM 0 H ASP A 58 -0.848 2.416 -7.420 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.767 2.827 -10.155 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.584 0.504 -9.934 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.982 0.055 -8.977 1.00 0.43 H new ATOM 918 N SER A 59 -4.187 2.232 -9.230 1.00 0.42 N ATOM 919 CA SER A 59 -5.485 2.455 -8.641 1.00 0.43 C ATOM 920 C SER A 59 -6.550 1.737 -9.452 1.00 0.46 C ATOM 921 O SER A 59 -6.789 2.066 -10.612 1.00 0.58 O ATOM 922 CB SER A 59 -5.782 3.948 -8.569 1.00 0.52 C ATOM 923 OG SER A 59 -6.961 4.211 -7.826 1.00 1.09 O ATOM 0 H SER A 59 -4.210 1.969 -10.215 1.00 0.42 H new ATOM 0 HA SER A 59 -5.489 2.056 -7.627 1.00 0.43 H new ATOM 0 HB2 SER A 59 -4.939 4.465 -8.110 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.890 4.347 -9.578 1.00 0.52 H new ATOM 0 HG SER A 59 -7.132 3.469 -7.209 1.00 1.09 H new ATOM 929 N VAL A 60 -7.175 0.749 -8.842 1.00 0.39 N ATOM 930 CA VAL A 60 -8.199 -0.025 -9.516 1.00 0.45 C ATOM 931 C VAL A 60 -9.573 0.314 -8.950 1.00 0.38 C ATOM 932 O VAL A 60 -9.762 0.370 -7.735 1.00 0.39 O ATOM 933 CB VAL A 60 -7.934 -1.546 -9.415 1.00 0.54 C ATOM 934 CG1 VAL A 60 -6.582 -1.895 -10.019 1.00 1.22 C ATOM 935 CG2 VAL A 60 -8.017 -2.037 -7.976 1.00 1.11 C ATOM 0 H VAL A 60 -6.992 0.463 -7.880 1.00 0.39 H new ATOM 0 HA VAL A 60 -8.171 0.241 -10.573 1.00 0.45 H new ATOM 0 HB VAL A 60 -8.714 -2.053 -9.983 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -6.414 -2.969 -9.938 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -6.566 -1.603 -11.069 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -5.796 -1.363 -9.483 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -7.825 -3.110 -7.946 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -7.273 -1.518 -7.371 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -9.012 -1.835 -7.579 1.00 1.11 H new ATOM 945 N LEU A 61 -10.520 0.586 -9.829 1.00 0.40 N ATOM 946 CA LEU A 61 -11.858 0.963 -9.405 1.00 0.39 C ATOM 947 C LEU A 61 -12.876 -0.045 -9.907 1.00 0.38 C ATOM 948 O LEU A 61 -13.126 -0.133 -11.109 1.00 0.57 O ATOM 949 CB LEU A 61 -12.217 2.367 -9.905 1.00 0.51 C ATOM 950 CG LEU A 61 -11.331 3.499 -9.377 1.00 0.62 C ATOM 951 CD1 LEU A 61 -10.064 3.647 -10.211 1.00 1.31 C ATOM 952 CD2 LEU A 61 -12.104 4.803 -9.345 1.00 1.34 C ATOM 0 H LEU A 61 -10.389 0.553 -10.840 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.876 0.972 -8.315 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -12.170 2.369 -10.994 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.250 2.579 -9.630 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.031 3.245 -8.360 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.457 4.459 -9.810 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -9.495 2.718 -10.177 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.332 3.870 -11.244 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.461 5.598 -8.967 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -12.437 5.053 -10.352 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.970 4.696 -8.692 1.00 1.34 H new ATOM 964 N VAL A 62 -13.455 -0.817 -8.996 1.00 0.27 N ATOM 965 CA VAL A 62 -14.447 -1.807 -9.388 1.00 0.27 C ATOM 966 C VAL A 62 -15.846 -1.191 -9.340 1.00 0.26 C ATOM 967 O VAL A 62 -16.405 -0.956 -8.268 1.00 0.30 O ATOM 968 CB VAL A 62 -14.390 -3.047 -8.468 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.378 -4.111 -8.928 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.975 -3.618 -8.419 1.00 0.59 C ATOM 0 H VAL A 62 -13.258 -0.778 -7.996 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.224 -2.126 -10.406 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.670 -2.733 -7.462 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.319 -4.974 -8.264 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.389 -3.704 -8.904 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.135 -4.418 -9.945 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.957 -4.490 -7.766 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.665 -3.910 -9.423 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.291 -2.862 -8.034 1.00 0.59 H new ATOM 980 N GLY A 63 -16.369 -0.876 -10.514 1.00 0.28 N ATOM 981 CA GLY A 63 -17.700 -0.322 -10.633 1.00 0.33 C ATOM 982 C GLY A 63 -18.715 -1.332 -11.171 1.00 0.36 C ATOM 983 O GLY A 63 -18.547 -1.807 -12.297 1.00 0.42 O ATOM 0 H GLY A 63 -15.884 -0.997 -11.403 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -18.030 0.033 -9.657 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.671 0.544 -11.294 1.00 0.33 H new ATOM 987 N PRO A 64 -19.764 -1.713 -10.421 1.00 0.39 N ATOM 988 CA PRO A 64 -19.911 -1.483 -8.995 1.00 0.39 C ATOM 989 C PRO A 64 -19.549 -2.741 -8.211 1.00 0.38 C ATOM 990 O PRO A 64 -19.402 -3.821 -8.791 1.00 0.41 O ATOM 991 CB PRO A 64 -21.402 -1.176 -8.867 1.00 0.48 C ATOM 992 CG PRO A 64 -22.060 -1.906 -10.001 1.00 0.55 C ATOM 993 CD PRO A 64 -20.969 -2.368 -10.944 1.00 0.48 C ATOM 0 HA PRO A 64 -19.267 -0.694 -8.607 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.791 -1.512 -7.906 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.589 -0.104 -8.929 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.630 -2.757 -9.629 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.763 -1.254 -10.519 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.869 -3.453 -10.941 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.174 -2.069 -11.972 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.383 -2.619 -6.910 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.001 -3.768 -6.108 1.00 0.40 C ATOM 1003 C VAL A 65 -20.214 -4.339 -5.376 1.00 0.41 C ATOM 1004 O VAL A 65 -20.791 -3.682 -4.511 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.899 -3.410 -5.094 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.957 -4.587 -4.912 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.133 -2.175 -5.545 1.00 0.95 C ATOM 0 H VAL A 65 -19.504 -1.750 -6.389 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.605 -4.522 -6.788 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.367 -3.185 -4.136 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.181 -4.324 -4.193 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.516 -5.447 -4.544 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.497 -4.836 -5.868 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.359 -1.940 -4.814 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.671 -2.367 -6.513 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.819 -1.332 -5.631 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.632 -5.562 -5.739 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.798 -6.218 -5.146 1.00 0.48 C ATOM 1019 C PRO A 66 -21.507 -6.802 -3.777 1.00 0.39 C ATOM 1020 O PRO A 66 -20.352 -7.046 -3.428 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.137 -7.343 -6.139 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.173 -7.201 -7.277 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.011 -6.405 -6.761 1.00 0.46 C ATOM 0 HA PRO A 66 -22.612 -5.510 -4.989 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.041 -8.321 -5.667 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.166 -7.257 -6.488 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.846 -8.179 -7.631 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.643 -6.697 -8.122 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.235 -7.045 -6.342 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.544 -5.812 -7.548 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.566 -7.032 -3.013 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.444 -7.589 -1.679 1.00 0.36 C ATOM 1033 C ALA A 67 -21.820 -8.974 -1.733 1.00 0.34 C ATOM 1034 O ALA A 67 -22.185 -9.805 -2.566 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.804 -7.644 -0.998 1.00 0.40 C ATOM 0 H ALA A 67 -23.525 -6.839 -3.300 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.791 -6.941 -1.095 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.694 -8.064 0.002 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.215 -6.637 -0.925 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.478 -8.270 -1.582 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.859 -9.201 -0.863 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.200 -10.486 -0.797 1.00 0.33 C ATOM 1043 C GLY A 68 -18.721 -10.339 -0.530 1.00 0.27 C ATOM 1044 O GLY A 68 -18.171 -9.248 -0.665 1.00 0.26 O ATOM 0 H GLY A 68 -20.518 -8.512 -0.192 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.654 -11.089 -0.010 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.350 -11.021 -1.735 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.072 -11.422 -0.152 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.651 -11.382 0.145 1.00 0.26 C ATOM 1050 C ARG A 69 -15.842 -11.583 -1.129 1.00 0.26 C ATOM 1051 O ARG A 69 -15.864 -12.656 -1.732 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.292 -12.436 1.195 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.848 -12.372 1.655 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.628 -13.172 2.932 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.416 -12.656 4.054 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.007 -12.678 5.327 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -13.822 -13.191 5.637 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -15.784 -12.182 6.284 1.00 2.78 N ATOM 0 H ARG A 69 -18.503 -12.340 -0.043 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.406 -10.402 0.555 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.945 -12.312 2.059 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.490 -13.426 0.785 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.198 -12.756 0.869 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.565 -11.333 1.823 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.892 -14.215 2.755 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.570 -13.151 3.194 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.332 -12.256 3.852 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.222 -13.569 4.904 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.512 -13.207 6.608 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.693 -11.784 6.048 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.471 -12.199 7.255 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.151 -10.532 -1.541 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.381 -10.546 -2.778 1.00 0.24 C ATOM 1074 C HIS A 70 -12.898 -10.671 -2.475 1.00 0.25 C ATOM 1075 O HIS A 70 -12.409 -10.096 -1.506 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.618 -9.261 -3.576 1.00 0.30 C ATOM 1077 CG HIS A 70 -16.050 -9.011 -3.930 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.644 -9.492 -5.076 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.008 -8.316 -3.278 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.905 -9.105 -5.111 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.149 -8.392 -4.031 1.00 0.47 N ATOM 0 H HIS A 70 -15.107 -9.649 -1.032 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.709 -11.403 -3.367 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.246 -8.415 -2.999 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -14.031 -9.304 -4.494 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.895 -7.797 -2.338 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.615 -9.334 -5.892 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.044 -7.965 -3.794 1.00 0.47 H new ATOM 1090 N MET A 71 -12.188 -11.417 -3.302 1.00 0.33 N ATOM 1091 CA MET A 71 -10.750 -11.559 -3.150 1.00 0.38 C ATOM 1092 C MET A 71 -10.048 -11.193 -4.448 1.00 0.38 C ATOM 1093 O MET A 71 -10.092 -11.947 -5.421 1.00 0.48 O ATOM 1094 CB MET A 71 -10.384 -12.988 -2.744 1.00 0.47 C ATOM 1095 CG MET A 71 -8.891 -13.191 -2.531 1.00 0.60 C ATOM 1096 SD MET A 71 -8.467 -14.895 -2.118 1.00 0.80 S ATOM 1097 CE MET A 71 -6.698 -14.747 -1.865 1.00 1.80 C ATOM 0 H MET A 71 -12.584 -11.935 -4.087 1.00 0.33 H new ATOM 0 HA MET A 71 -10.422 -10.882 -2.362 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.913 -13.244 -1.826 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.731 -13.677 -3.514 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.357 -12.898 -3.435 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.550 -12.533 -1.732 1.00 0.60 H new ATOM 0 HE1 MET A 71 -6.285 -15.721 -1.602 1.00 1.80 H new ATOM 0 HE2 MET A 71 -6.228 -14.389 -2.781 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.504 -14.040 -1.058 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.412 -10.035 -4.470 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.696 -9.596 -5.653 1.00 0.31 C ATOM 1109 C PHE A 72 -7.247 -9.294 -5.293 1.00 0.29 C ATOM 1110 O PHE A 72 -6.956 -8.827 -4.191 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.381 -8.368 -6.287 1.00 0.33 C ATOM 1112 CG PHE A 72 -9.074 -7.050 -5.623 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.662 -6.694 -4.416 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.196 -6.161 -6.220 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.374 -5.479 -3.823 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.906 -4.947 -5.630 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.494 -4.606 -4.431 1.00 0.29 C ATOM 0 H PHE A 72 -9.377 -9.384 -3.685 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.712 -10.396 -6.394 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.085 -8.307 -7.334 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.460 -8.524 -6.269 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.351 -7.373 -3.936 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.732 -6.421 -7.160 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.837 -5.213 -2.884 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.219 -4.265 -6.108 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.267 -3.657 -3.968 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.341 -9.578 -6.210 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.928 -9.371 -5.960 1.00 0.29 C ATOM 1129 C VAL A 73 -4.455 -8.094 -6.635 1.00 0.30 C ATOM 1130 O VAL A 73 -4.483 -7.974 -7.860 1.00 0.47 O ATOM 1131 CB VAL A 73 -4.069 -10.558 -6.448 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.607 -10.348 -6.081 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.582 -11.869 -5.866 1.00 1.00 C ATOM 0 H VAL A 73 -6.559 -9.952 -7.134 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.804 -9.289 -4.880 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.147 -10.611 -7.534 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -2.018 -11.195 -6.433 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.242 -9.433 -6.548 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.512 -10.265 -4.998 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.963 -12.692 -6.222 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.537 -11.826 -4.778 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.613 -12.028 -6.181 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.043 -7.147 -5.817 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.554 -5.871 -6.289 1.00 0.25 C ATOM 1145 C PHE A 74 -2.039 -5.954 -6.419 1.00 0.25 C ATOM 1146 O PHE A 74 -1.351 -6.327 -5.467 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.949 -4.781 -5.292 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.960 -3.384 -5.847 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.899 -2.898 -6.590 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -5.038 -2.552 -5.604 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.913 -1.608 -7.080 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -5.056 -1.260 -6.085 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.993 -0.788 -6.822 1.00 0.31 C ATOM 0 H PHE A 74 -4.039 -7.243 -4.802 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.987 -5.627 -7.259 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.941 -5.009 -4.903 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.260 -4.815 -4.448 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.050 -3.535 -6.789 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.876 -2.919 -5.030 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.082 -1.241 -7.664 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.902 -0.620 -5.884 1.00 0.44 H new ATOM 0 HZ PHE A 74 -4.004 0.224 -7.198 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.525 -5.629 -7.594 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.100 -5.762 -7.864 1.00 0.27 C ATOM 1165 C GLN A 75 0.433 -4.537 -8.590 1.00 0.32 C ATOM 1166 O GLN A 75 -0.099 -4.133 -9.626 1.00 0.41 O ATOM 1167 CB GLN A 75 0.172 -7.019 -8.694 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.211 -8.309 -7.988 1.00 0.49 C ATOM 1169 CD GLN A 75 -0.030 -9.542 -8.858 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.187 -9.378 -10.161 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.239 -10.635 -8.358 1.00 1.12 N flip ATOM 0 H GLN A 75 -2.072 -5.271 -8.377 1.00 0.24 H new ATOM 0 HA GLN A 75 0.416 -5.849 -6.908 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.379 -6.951 -9.632 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.231 -7.054 -8.948 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.393 -8.416 -7.087 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.251 -8.246 -7.669 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.352 -10.720 -7.348 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.349 -11.455 -8.954 1.00 1.12 H new ATOM 1180 N ALA A 76 1.480 -3.946 -8.037 1.00 0.36 N ATOM 1181 CA ALA A 76 2.105 -2.774 -8.640 1.00 0.46 C ATOM 1182 C ALA A 76 3.618 -2.859 -8.510 1.00 0.40 C ATOM 1183 O ALA A 76 4.127 -3.253 -7.470 1.00 0.48 O ATOM 1184 CB ALA A 76 1.581 -1.500 -7.992 1.00 0.56 C ATOM 0 H ALA A 76 1.917 -4.257 -7.170 1.00 0.36 H new ATOM 0 HA ALA A 76 1.850 -2.748 -9.700 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.057 -0.635 -8.453 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.502 -1.438 -8.132 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.808 -1.514 -6.926 1.00 0.56 H new ATOM 1190 N ASP A 77 4.332 -2.493 -9.567 1.00 0.56 N ATOM 1191 CA ASP A 77 5.790 -2.599 -9.582 1.00 0.61 C ATOM 1192 C ASP A 77 6.446 -1.509 -8.735 1.00 0.43 C ATOM 1193 O ASP A 77 5.767 -0.780 -8.009 1.00 0.47 O ATOM 1194 CB ASP A 77 6.321 -2.550 -11.018 1.00 0.95 C ATOM 1195 CG ASP A 77 6.092 -3.849 -11.767 1.00 1.54 C ATOM 1196 OD1 ASP A 77 5.018 -4.005 -12.386 1.00 2.13 O ATOM 1197 OD2 ASP A 77 6.987 -4.724 -11.738 1.00 2.06 O ATOM 0 H ASP A 77 3.928 -2.120 -10.426 1.00 0.56 H new ATOM 0 HA ASP A 77 6.051 -3.562 -9.143 1.00 0.61 H new ATOM 0 HB2 ASP A 77 5.835 -1.735 -11.554 1.00 0.95 H new ATOM 0 HB3 ASP A 77 7.388 -2.328 -11.000 1.00 0.95 H new ATOM 1202 N ALA A 78 7.769 -1.412 -8.831 1.00 0.45 N ATOM 1203 CA ALA A 78 8.541 -0.481 -8.021 1.00 0.36 C ATOM 1204 C ALA A 78 8.183 0.972 -8.325 1.00 0.37 C ATOM 1205 O ALA A 78 8.143 1.383 -9.486 1.00 0.46 O ATOM 1206 CB ALA A 78 10.027 -0.716 -8.242 1.00 0.40 C ATOM 0 H ALA A 78 8.332 -1.974 -9.470 1.00 0.45 H new ATOM 0 HA ALA A 78 8.294 -0.664 -6.975 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.600 -0.017 -7.634 1.00 0.40 H new ATOM 0 HB2 ALA A 78 10.280 -1.737 -7.957 1.00 0.40 H new ATOM 0 HB3 ALA A 78 10.267 -0.563 -9.294 1.00 0.40 H new ATOM 1212 N PRO A 79 7.909 1.759 -7.272 1.00 0.34 N ATOM 1213 CA PRO A 79 7.615 3.190 -7.399 1.00 0.43 C ATOM 1214 C PRO A 79 8.819 3.982 -7.889 1.00 0.41 C ATOM 1215 O PRO A 79 9.948 3.490 -7.851 1.00 0.47 O ATOM 1216 CB PRO A 79 7.254 3.611 -5.970 1.00 0.47 C ATOM 1217 CG PRO A 79 7.903 2.592 -5.099 1.00 0.53 C ATOM 1218 CD PRO A 79 7.852 1.308 -5.872 1.00 0.33 C ATOM 0 HA PRO A 79 6.826 3.379 -8.127 1.00 0.43 H new ATOM 0 HB2 PRO A 79 7.621 4.613 -5.748 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.174 3.627 -5.823 1.00 0.47 H new ATOM 0 HG2 PRO A 79 8.932 2.871 -4.870 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.378 2.498 -4.148 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.689 0.655 -5.624 1.00 0.33 H new ATOM 0 HD3 PRO A 79 6.939 0.749 -5.665 1.00 0.33 H new ATOM 1226 N ASN A 80 8.566 5.207 -8.342 1.00 0.43 N ATOM 1227 CA ASN A 80 9.619 6.082 -8.859 1.00 0.46 C ATOM 1228 C ASN A 80 10.742 6.249 -7.836 1.00 0.40 C ATOM 1229 O ASN A 80 10.558 6.895 -6.800 1.00 0.39 O ATOM 1230 CB ASN A 80 9.041 7.454 -9.222 1.00 0.56 C ATOM 1231 CG ASN A 80 9.990 8.295 -10.065 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.213 8.197 -9.943 1.00 2.19 O ATOM 1233 ND2 ASN A 80 9.431 9.121 -10.937 1.00 1.59 N ATOM 0 H ASN A 80 7.634 5.620 -8.362 1.00 0.43 H new ATOM 0 HA ASN A 80 10.032 5.618 -9.755 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.106 7.316 -9.765 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.801 7.995 -8.307 1.00 0.56 H new ATOM 0 HD21 ASN A 80 10.017 9.703 -11.536 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.415 9.175 -11.010 1.00 1.59 H new ATOM 1240 N PRO A 81 11.923 5.679 -8.125 1.00 0.41 N ATOM 1241 CA PRO A 81 13.074 5.710 -7.216 1.00 0.41 C ATOM 1242 C PRO A 81 13.668 7.108 -7.089 1.00 0.43 C ATOM 1243 O PRO A 81 14.488 7.367 -6.211 1.00 0.48 O ATOM 1244 CB PRO A 81 14.086 4.756 -7.870 1.00 0.47 C ATOM 1245 CG PRO A 81 13.308 4.006 -8.899 1.00 0.54 C ATOM 1246 CD PRO A 81 12.237 4.947 -9.358 1.00 0.48 C ATOM 0 HA PRO A 81 12.796 5.420 -6.203 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.910 5.307 -8.323 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.521 4.079 -7.135 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.946 3.703 -9.729 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.878 3.097 -8.479 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.588 5.611 -10.148 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.369 4.417 -9.750 1.00 0.48 H new ATOM 1254 N GLY A 82 13.228 8.011 -7.957 1.00 0.45 N ATOM 1255 CA GLY A 82 13.716 9.373 -7.919 1.00 0.49 C ATOM 1256 C GLY A 82 13.017 10.162 -6.842 1.00 0.48 C ATOM 1257 O GLY A 82 13.495 11.207 -6.407 1.00 0.51 O ATOM 0 H GLY A 82 12.541 7.822 -8.687 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.791 9.374 -7.737 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.556 9.849 -8.887 1.00 0.49 H new ATOM 1261 N LEU A 83 11.878 9.643 -6.406 1.00 0.46 N ATOM 1262 CA LEU A 83 11.118 10.270 -5.338 1.00 0.49 C ATOM 1263 C LEU A 83 11.589 9.774 -3.979 1.00 0.46 C ATOM 1264 O LEU A 83 11.426 10.463 -2.974 1.00 0.52 O ATOM 1265 CB LEU A 83 9.622 10.001 -5.503 1.00 0.52 C ATOM 1266 CG LEU A 83 8.836 11.055 -6.286 1.00 0.58 C ATOM 1267 CD1 LEU A 83 8.973 12.424 -5.639 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.282 11.113 -7.732 1.00 1.34 C ATOM 0 H LEU A 83 11.461 8.789 -6.777 1.00 0.46 H new ATOM 0 HA LEU A 83 11.286 11.345 -5.396 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.498 9.039 -6.001 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.178 9.906 -4.512 1.00 0.52 H new ATOM 0 HG LEU A 83 7.786 10.763 -6.265 1.00 0.58 H new ATOM 0 HD11 LEU A 83 8.406 13.156 -6.213 1.00 1.60 H new ATOM 0 HD12 LEU A 83 8.588 12.385 -4.620 1.00 1.60 H new ATOM 0 HD13 LEU A 83 10.024 12.714 -5.619 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.704 11.871 -8.261 1.00 1.34 H new ATOM 0 HD22 LEU A 83 10.341 11.367 -7.776 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.122 10.142 -8.201 1.00 1.34 H new ATOM 1280 N ILE A 84 12.171 8.580 -3.954 1.00 0.41 N ATOM 1281 CA ILE A 84 12.686 8.022 -2.713 1.00 0.40 C ATOM 1282 C ILE A 84 14.042 8.646 -2.379 1.00 0.46 C ATOM 1283 O ILE A 84 15.018 8.481 -3.115 1.00 0.52 O ATOM 1284 CB ILE A 84 12.816 6.489 -2.790 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.480 5.868 -3.214 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.263 5.928 -1.447 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.528 4.366 -3.385 1.00 0.33 C ATOM 0 H ILE A 84 12.297 7.985 -4.773 1.00 0.41 H new ATOM 0 HA ILE A 84 11.974 8.257 -1.922 1.00 0.40 H new ATOM 0 HB ILE A 84 13.570 6.237 -3.536 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.723 6.115 -2.469 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.162 6.321 -4.153 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.351 4.844 -1.517 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.230 6.354 -1.179 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.529 6.184 -0.683 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.545 4.002 -3.685 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.260 4.110 -4.152 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.814 3.901 -2.441 1.00 0.33 H new ATOM 1299 N PRO A 85 14.097 9.398 -1.276 1.00 0.48 N ATOM 1300 CA PRO A 85 15.284 10.138 -0.853 1.00 0.57 C ATOM 1301 C PRO A 85 16.336 9.248 -0.198 1.00 0.56 C ATOM 1302 O PRO A 85 16.049 8.122 0.220 1.00 0.55 O ATOM 1303 CB PRO A 85 14.719 11.135 0.156 1.00 0.68 C ATOM 1304 CG PRO A 85 13.580 10.410 0.770 1.00 0.81 C ATOM 1305 CD PRO A 85 12.984 9.582 -0.335 1.00 0.50 C ATOM 0 HA PRO A 85 15.802 10.597 -1.695 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.463 11.415 0.901 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.393 12.055 -0.330 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.915 9.780 1.594 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.847 11.106 1.178 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.613 8.627 0.037 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.142 10.090 -0.806 1.00 0.50 H new ATOM 1313 N ASP A 86 17.548 9.781 -0.116 1.00 0.67 N ATOM 1314 CA ASP A 86 18.698 9.083 0.459 1.00 0.76 C ATOM 1315 C ASP A 86 18.379 8.446 1.815 1.00 0.78 C ATOM 1316 O ASP A 86 18.618 7.255 2.022 1.00 0.86 O ATOM 1317 CB ASP A 86 19.854 10.077 0.606 1.00 0.98 C ATOM 1318 CG ASP A 86 21.070 9.499 1.303 1.00 1.52 C ATOM 1319 OD1 ASP A 86 21.898 8.859 0.626 1.00 1.92 O ATOM 1320 OD2 ASP A 86 21.177 9.641 2.537 1.00 2.29 O ATOM 0 H ASP A 86 17.766 10.720 -0.449 1.00 0.67 H new ATOM 0 HA ASP A 86 18.972 8.271 -0.214 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.146 10.429 -0.383 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.505 10.946 1.164 1.00 0.98 H new ATOM 1325 N ALA A 87 17.810 9.230 2.723 1.00 0.83 N ATOM 1326 CA ALA A 87 17.584 8.775 4.092 1.00 0.99 C ATOM 1327 C ALA A 87 16.424 7.784 4.191 1.00 0.90 C ATOM 1328 O ALA A 87 16.335 7.025 5.156 1.00 1.07 O ATOM 1329 CB ALA A 87 17.335 9.963 5.008 1.00 1.25 C ATOM 0 H ALA A 87 17.497 10.183 2.538 1.00 0.83 H new ATOM 0 HA ALA A 87 18.486 8.252 4.410 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.168 9.609 6.025 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.202 10.623 4.991 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.456 10.509 4.665 1.00 1.25 H new ATOM 1335 N ASP A 88 15.543 7.789 3.201 1.00 0.76 N ATOM 1336 CA ASP A 88 14.356 6.935 3.234 1.00 0.78 C ATOM 1337 C ASP A 88 14.664 5.536 2.723 1.00 0.62 C ATOM 1338 O ASP A 88 14.291 4.540 3.344 1.00 0.64 O ATOM 1339 CB ASP A 88 13.240 7.547 2.391 1.00 0.99 C ATOM 1340 CG ASP A 88 11.978 6.711 2.391 1.00 1.41 C ATOM 1341 OD1 ASP A 88 11.866 5.792 1.560 1.00 1.94 O ATOM 1342 OD2 ASP A 88 11.094 6.986 3.218 1.00 1.68 O ATOM 0 H ASP A 88 15.623 8.371 2.367 1.00 0.76 H new ATOM 0 HA ASP A 88 14.033 6.861 4.272 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.010 8.543 2.769 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.590 7.668 1.366 1.00 0.99 H new ATOM 1347 N ALA A 89 15.372 5.470 1.601 1.00 0.54 N ATOM 1348 CA ALA A 89 15.641 4.201 0.935 1.00 0.49 C ATOM 1349 C ALA A 89 16.452 3.258 1.816 1.00 0.44 C ATOM 1350 O ALA A 89 16.373 2.044 1.674 1.00 0.51 O ATOM 1351 CB ALA A 89 16.357 4.443 -0.382 1.00 0.48 C ATOM 0 H ALA A 89 15.771 6.283 1.132 1.00 0.54 H new ATOM 0 HA ALA A 89 14.683 3.720 0.739 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.553 3.488 -0.870 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.732 5.060 -1.028 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.301 4.955 -0.194 1.00 0.48 H new ATOM 1357 N VAL A 90 17.241 3.812 2.718 1.00 0.41 N ATOM 1358 CA VAL A 90 18.029 2.990 3.625 1.00 0.43 C ATOM 1359 C VAL A 90 17.352 2.930 5.003 1.00 0.43 C ATOM 1360 O VAL A 90 17.988 2.644 6.021 1.00 0.49 O ATOM 1361 CB VAL A 90 19.467 3.535 3.780 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.381 2.471 4.372 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.008 4.020 2.443 1.00 0.54 C ATOM 0 H VAL A 90 17.355 4.818 2.844 1.00 0.41 H new ATOM 0 HA VAL A 90 18.088 1.989 3.198 1.00 0.43 H new ATOM 0 HB VAL A 90 19.437 4.384 4.463 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.389 2.873 4.474 1.00 0.56 H new ATOM 0 HG12 VAL A 90 20.008 2.175 5.352 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.402 1.602 3.714 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.021 4.399 2.576 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.021 3.192 1.734 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.370 4.816 2.060 1.00 0.54 H new ATOM 1373 N GLY A 91 16.050 3.175 5.035 1.00 0.42 N ATOM 1374 CA GLY A 91 15.368 3.319 6.306 1.00 0.46 C ATOM 1375 C GLY A 91 14.025 2.618 6.361 1.00 0.43 C ATOM 1376 O GLY A 91 13.932 1.412 6.118 1.00 0.62 O ATOM 0 H GLY A 91 15.457 3.276 4.211 1.00 0.42 H new ATOM 0 HA2 GLY A 91 16.006 2.925 7.097 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.223 4.379 6.512 1.00 0.46 H new ATOM 1380 N VAL A 92 12.988 3.370 6.711 1.00 0.40 N ATOM 1381 CA VAL A 92 11.644 2.821 6.846 1.00 0.38 C ATOM 1382 C VAL A 92 10.621 3.684 6.104 1.00 0.36 C ATOM 1383 O VAL A 92 10.481 4.878 6.371 1.00 0.55 O ATOM 1384 CB VAL A 92 11.242 2.673 8.337 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.415 3.986 9.091 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.812 2.162 8.464 1.00 1.23 C ATOM 0 H VAL A 92 13.053 4.369 6.908 1.00 0.40 H new ATOM 0 HA VAL A 92 11.651 1.829 6.395 1.00 0.38 H new ATOM 0 HB VAL A 92 11.910 1.939 8.789 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.125 3.848 10.133 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.458 4.298 9.043 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.786 4.752 8.637 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.552 2.066 9.518 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.131 2.865 7.985 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.729 1.189 7.980 1.00 1.23 H new ATOM 1396 N THR A 93 9.907 3.065 5.184 1.00 0.28 N ATOM 1397 CA THR A 93 8.922 3.749 4.379 1.00 0.28 C ATOM 1398 C THR A 93 7.555 3.111 4.616 1.00 0.27 C ATOM 1399 O THR A 93 7.467 2.048 5.226 1.00 0.41 O ATOM 1400 CB THR A 93 9.289 3.661 2.886 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.715 3.678 2.731 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.682 4.816 2.114 1.00 0.59 C ATOM 0 H THR A 93 9.996 2.071 4.976 1.00 0.28 H new ATOM 0 HA THR A 93 8.894 4.801 4.664 1.00 0.28 H new ATOM 0 HB THR A 93 8.890 2.727 2.490 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.966 4.375 2.089 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.954 4.733 1.062 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.597 4.788 2.211 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.058 5.758 2.513 1.00 0.59 H new ATOM 1410 N VAL A 94 6.489 3.751 4.170 1.00 0.25 N ATOM 1411 CA VAL A 94 5.157 3.189 4.337 1.00 0.25 C ATOM 1412 C VAL A 94 4.506 2.954 2.979 1.00 0.24 C ATOM 1413 O VAL A 94 4.654 3.761 2.062 1.00 0.28 O ATOM 1414 CB VAL A 94 4.249 4.108 5.189 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.910 3.441 5.478 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.943 4.504 6.483 1.00 0.32 C ATOM 0 H VAL A 94 6.516 4.652 3.693 1.00 0.25 H new ATOM 0 HA VAL A 94 5.270 2.240 4.860 1.00 0.25 H new ATOM 0 HB VAL A 94 4.056 5.014 4.614 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.293 4.109 6.078 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.402 3.223 4.539 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.076 2.513 6.024 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.286 5.150 7.065 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.176 3.609 7.060 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.865 5.038 6.253 1.00 0.32 H new ATOM 1426 N VAL A 95 3.816 1.837 2.838 1.00 0.22 N ATOM 1427 CA VAL A 95 3.012 1.589 1.658 1.00 0.22 C ATOM 1428 C VAL A 95 1.557 1.486 2.085 1.00 0.24 C ATOM 1429 O VAL A 95 1.186 0.612 2.869 1.00 0.34 O ATOM 1430 CB VAL A 95 3.469 0.322 0.887 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.533 -0.897 1.798 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.553 0.062 -0.304 1.00 0.60 C ATOM 0 H VAL A 95 3.797 1.086 3.528 1.00 0.22 H new ATOM 0 HA VAL A 95 3.138 2.418 0.962 1.00 0.22 H new ATOM 0 HB VAL A 95 4.478 0.505 0.516 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.857 -1.764 1.223 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.242 -0.711 2.605 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.546 -1.089 2.219 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.888 -0.830 -0.833 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.532 -0.087 0.048 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.583 0.917 -0.979 1.00 0.60 H new ATOM 1442 N LEU A 96 0.743 2.410 1.613 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.608 2.530 2.116 1.00 0.26 C ATOM 1444 C LEU A 96 -1.639 2.361 1.014 1.00 0.24 C ATOM 1445 O LEU A 96 -1.529 2.943 -0.065 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.788 3.867 2.858 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.607 5.140 2.026 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.934 5.601 1.442 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.013 6.241 2.873 1.00 1.21 C ATOM 0 H LEU A 96 0.992 3.083 0.888 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.774 1.720 2.827 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.787 3.883 3.294 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.079 3.896 3.685 1.00 0.44 H new ATOM 0 HG LEU A 96 0.066 4.914 1.199 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.778 6.507 0.856 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.341 4.819 0.801 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.635 5.808 2.251 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.136 7.140 2.268 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.638 6.459 3.719 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.986 5.914 3.239 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.626 1.531 1.287 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.738 1.350 0.381 1.00 0.24 C ATOM 1463 C ILE A 97 -4.940 2.132 0.885 1.00 0.26 C ATOM 1464 O ILE A 97 -5.559 1.766 1.886 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.117 -0.138 0.225 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.906 -0.945 -0.255 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.280 -0.288 -0.748 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.171 -2.430 -0.376 1.00 0.30 C ATOM 0 H ILE A 97 -2.678 0.968 2.136 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.433 1.720 -0.598 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.428 -0.525 1.195 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.587 -0.562 -1.224 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.079 -0.788 0.437 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.537 -1.343 -0.848 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.143 0.261 -0.371 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.994 0.110 -1.721 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.268 -2.934 -0.721 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.460 -2.828 0.596 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.976 -2.599 -1.091 1.00 0.30 H new ATOM 1480 N THR A 98 -5.244 3.225 0.210 1.00 0.29 N ATOM 1481 CA THR A 98 -6.385 4.042 0.564 1.00 0.33 C ATOM 1482 C THR A 98 -7.551 3.702 -0.351 1.00 0.28 C ATOM 1483 O THR A 98 -7.372 3.482 -1.552 1.00 0.37 O ATOM 1484 CB THR A 98 -6.055 5.553 0.489 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.202 6.343 0.830 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.564 5.939 -0.897 1.00 1.07 C ATOM 0 H THR A 98 -4.712 3.567 -0.590 1.00 0.29 H new ATOM 0 HA THR A 98 -6.656 3.825 1.597 1.00 0.33 H new ATOM 0 HB THR A 98 -5.261 5.750 1.209 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.935 7.280 0.934 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.340 7.006 -0.920 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.663 5.374 -1.134 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.337 5.715 -1.632 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.734 3.617 0.223 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.914 3.241 -0.533 1.00 0.29 C ATOM 1496 C CYS A 99 -10.925 4.375 -0.534 1.00 0.31 C ATOM 1497 O CYS A 99 -11.376 4.820 0.524 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.518 1.978 0.063 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.314 0.660 0.327 1.00 1.32 S ATOM 0 H CYS A 99 -8.905 3.803 1.211 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.632 3.042 -1.567 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -10.990 2.224 1.014 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.304 1.614 -0.598 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.661 -0.389 -0.358 1.00 1.32 H new ATOM 1505 N THR A 100 -11.274 4.833 -1.721 1.00 0.34 N ATOM 1506 CA THR A 100 -12.135 5.989 -1.876 1.00 0.38 C ATOM 1507 C THR A 100 -13.544 5.577 -2.298 1.00 0.37 C ATOM 1508 O THR A 100 -13.720 4.856 -3.284 1.00 0.41 O ATOM 1509 CB THR A 100 -11.555 6.945 -2.935 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.130 7.020 -2.798 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.152 8.339 -2.797 1.00 0.50 C ATOM 0 H THR A 100 -10.970 4.416 -2.601 1.00 0.34 H new ATOM 0 HA THR A 100 -12.189 6.492 -0.910 1.00 0.38 H new ATOM 0 HB THR A 100 -11.809 6.554 -3.920 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.712 6.941 -3.681 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.726 8.994 -3.557 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.233 8.287 -2.928 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.926 8.735 -1.807 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.540 6.020 -1.538 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.933 5.818 -1.906 1.00 0.40 C ATOM 1521 C TYR A 101 -16.739 7.067 -1.564 1.00 0.44 C ATOM 1522 O TYR A 101 -16.621 7.605 -0.460 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.524 4.596 -1.200 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.858 4.158 -1.768 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.968 3.691 -3.071 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.007 4.208 -0.992 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.188 3.291 -3.585 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.227 3.809 -1.499 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.299 3.352 -2.828 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.536 2.957 -3.299 1.00 0.65 O ATOM 0 H TYR A 101 -14.406 6.523 -0.661 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.982 5.636 -2.980 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.818 3.768 -1.271 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.645 4.821 -0.141 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.087 3.639 -3.693 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.946 4.565 0.025 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.250 2.927 -4.600 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.114 3.847 -0.884 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.208 3.079 -2.596 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.533 7.536 -2.525 1.00 0.52 N ATOM 1541 CA ARG A 102 -18.350 8.744 -2.365 1.00 0.59 C ATOM 1542 C ARG A 102 -17.464 9.986 -2.274 1.00 0.57 C ATOM 1543 O ARG A 102 -17.924 11.054 -1.870 1.00 0.64 O ATOM 1544 CB ARG A 102 -19.233 8.661 -1.109 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.150 7.448 -1.042 1.00 0.75 C ATOM 1546 CD ARG A 102 -21.248 7.499 -2.086 1.00 0.86 C ATOM 1547 NE ARG A 102 -22.416 6.724 -1.673 1.00 1.26 N ATOM 1548 CZ ARG A 102 -23.647 6.930 -2.139 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.831 7.685 -3.214 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -24.681 6.330 -1.564 1.00 2.45 N ATOM 0 H ARG A 102 -17.630 7.091 -3.438 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.993 8.818 -3.242 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.588 8.658 -0.230 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.844 9.562 -1.053 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.561 6.542 -1.182 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.597 7.388 -0.050 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -21.540 8.535 -2.258 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.870 7.113 -3.032 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.281 5.981 -0.987 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -23.030 8.108 -3.684 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -24.773 7.843 -3.571 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.533 5.712 -0.766 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -25.624 6.487 -1.920 1.00 2.45 H new ATOM 1564 N GLY A 103 -16.193 9.843 -2.645 1.00 0.52 N ATOM 1565 CA GLY A 103 -15.272 10.961 -2.588 1.00 0.53 C ATOM 1566 C GLY A 103 -14.532 11.007 -1.271 1.00 0.49 C ATOM 1567 O GLY A 103 -13.640 11.831 -1.070 1.00 0.57 O ATOM 0 H GLY A 103 -15.787 8.971 -2.984 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -14.556 10.885 -3.406 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -15.820 11.892 -2.730 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.899 10.106 -0.373 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.280 10.036 0.938 1.00 0.44 C ATOM 1573 C GLN A 104 -13.527 8.724 1.071 1.00 0.37 C ATOM 1574 O GLN A 104 -14.012 7.681 0.635 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.336 10.115 2.038 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.383 11.196 1.824 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.792 10.742 2.174 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.590 11.521 2.686 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.135 9.498 1.856 1.00 0.98 N ATOM 0 H GLN A 104 -15.627 9.410 -0.531 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.595 10.877 1.043 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.837 9.150 2.114 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.838 10.292 2.991 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -16.127 12.066 2.429 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.359 11.515 0.782 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.450 8.873 1.431 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.083 9.168 2.037 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.347 8.769 1.653 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.594 7.558 1.906 1.00 0.32 C ATOM 1590 C GLU A 105 -11.986 7.000 3.266 1.00 0.32 C ATOM 1591 O GLU A 105 -12.002 7.722 4.258 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.094 7.834 1.837 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.700 8.695 0.647 1.00 0.49 C ATOM 1594 CD GLU A 105 -9.598 10.160 1.010 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.508 10.599 1.434 1.00 1.59 O ATOM 1596 OE2 GLU A 105 -10.605 10.883 0.861 1.00 1.28 O ATOM 0 H GLU A 105 -11.889 9.628 1.959 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.827 6.819 1.140 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.779 8.329 2.756 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.558 6.886 1.785 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -8.743 8.352 0.254 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.434 8.570 -0.149 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.328 5.722 3.300 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.862 5.110 4.509 1.00 0.27 C ATOM 1605 C PHE A 106 -11.839 4.229 5.201 1.00 0.26 C ATOM 1606 O PHE A 106 -12.055 3.782 6.323 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.109 4.292 4.179 1.00 0.27 C ATOM 1608 CG PHE A 106 -13.934 3.354 3.016 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.472 2.064 3.222 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.220 3.761 1.721 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.297 1.200 2.163 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.046 2.896 0.656 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.639 1.629 0.858 1.00 0.31 C ATOM 0 H PHE A 106 -12.246 5.088 2.506 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.122 5.917 5.193 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.396 3.715 5.058 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.932 4.974 3.963 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.246 1.732 4.225 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.582 4.763 1.543 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -12.904 0.208 2.327 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.239 3.241 -0.349 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.574 0.942 0.027 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.744 3.947 4.528 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.712 3.115 5.110 1.00 0.24 C ATOM 1625 C ILE A 107 -8.373 3.407 4.458 1.00 0.22 C ATOM 1626 O ILE A 107 -8.305 3.761 3.278 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.037 1.603 5.007 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.064 0.790 5.875 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -9.992 1.136 3.562 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.203 -0.714 5.710 1.00 0.37 C ATOM 0 H ILE A 107 -10.546 4.279 3.584 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.664 3.361 6.171 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.049 1.442 5.378 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.043 1.080 5.628 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.224 1.047 6.922 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.223 0.072 3.516 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.724 1.692 2.977 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -8.996 1.308 3.155 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.483 -1.219 6.354 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.213 -1.018 5.985 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.013 -0.985 4.672 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.323 3.283 5.238 1.00 0.23 N ATOM 1643 CA ARG A 108 -5.979 3.434 4.746 1.00 0.24 C ATOM 1644 C ARG A 108 -5.092 2.357 5.358 1.00 0.24 C ATOM 1645 O ARG A 108 -4.750 2.420 6.541 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.468 4.823 5.102 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.011 5.051 4.765 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.532 6.348 5.375 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.825 6.402 6.806 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.503 7.430 7.592 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.942 8.521 7.078 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.756 7.372 8.894 1.00 0.95 N ATOM 0 H ARG A 108 -7.381 3.074 6.235 1.00 0.23 H new ATOM 0 HA ARG A 108 -5.961 3.322 3.662 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.071 5.565 4.579 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.613 4.989 6.169 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.410 4.222 5.137 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.880 5.079 3.683 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.458 6.452 5.217 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.011 7.188 4.872 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.304 5.607 7.228 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.755 8.575 6.077 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -2.698 9.304 7.685 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.196 6.542 9.292 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.510 8.157 9.497 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.761 1.354 4.562 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.904 0.270 5.018 1.00 0.22 C ATOM 1668 C VAL A 109 -2.444 0.685 4.936 1.00 0.24 C ATOM 1669 O VAL A 109 -1.864 0.707 3.857 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.122 -1.007 4.181 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.088 -2.068 4.527 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.530 -1.542 4.383 1.00 0.27 C ATOM 0 H VAL A 109 -5.073 1.267 3.595 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.166 0.054 6.054 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.999 -0.749 3.129 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.264 -2.958 3.923 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.089 -1.683 4.323 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.169 -2.324 5.583 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.666 -2.443 3.785 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.682 -1.779 5.436 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.254 -0.788 4.073 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.866 1.028 6.074 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.490 1.470 6.105 1.00 0.25 C ATOM 1684 C GLY A 110 0.459 0.371 6.531 1.00 0.21 C ATOM 1685 O GLY A 110 0.529 0.022 7.709 1.00 0.27 O ATOM 0 H GLY A 110 -2.329 1.008 6.983 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.204 1.830 5.117 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.397 2.313 6.790 1.00 0.25 H new ATOM 1689 N TYR A 111 1.174 -0.185 5.575 1.00 0.23 N ATOM 1690 CA TYR A 111 2.182 -1.190 5.867 1.00 0.24 C ATOM 1691 C TYR A 111 3.555 -0.552 5.924 1.00 0.23 C ATOM 1692 O TYR A 111 3.996 0.084 4.969 1.00 0.27 O ATOM 1693 CB TYR A 111 2.165 -2.309 4.828 1.00 0.32 C ATOM 1694 CG TYR A 111 1.157 -3.387 5.135 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.295 -4.201 6.248 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.063 -3.587 4.304 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.368 -5.187 6.527 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.867 -4.566 4.576 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.684 -5.382 5.714 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.642 -6.337 5.959 1.00 0.40 O ATOM 0 H TYR A 111 1.077 0.041 4.585 1.00 0.23 H new ATOM 0 HA TYR A 111 1.950 -1.627 6.838 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.946 -1.884 3.849 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.158 -2.755 4.767 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.139 -4.063 6.907 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.061 -2.965 3.430 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.490 -5.805 7.404 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.721 -4.707 3.930 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.564 -6.648 6.885 1.00 0.40 H new ATOM 1710 N TYR A 112 4.227 -0.710 7.048 1.00 0.25 N ATOM 1711 CA TYR A 112 5.546 -0.135 7.217 1.00 0.25 C ATOM 1712 C TYR A 112 6.599 -1.086 6.684 1.00 0.27 C ATOM 1713 O TYR A 112 6.763 -2.196 7.183 1.00 0.33 O ATOM 1714 CB TYR A 112 5.820 0.196 8.682 1.00 0.29 C ATOM 1715 CG TYR A 112 5.046 1.394 9.188 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.669 1.323 9.373 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.687 2.589 9.489 1.00 0.48 C ATOM 1718 CE1 TYR A 112 2.956 2.408 9.843 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.979 3.678 9.959 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.634 3.607 10.104 1.00 0.64 C ATOM 1721 OH TYR A 112 2.909 4.664 10.606 1.00 0.78 O ATOM 0 H TYR A 112 3.882 -1.230 7.855 1.00 0.25 H new ATOM 0 HA TYR A 112 5.588 0.796 6.651 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.572 -0.671 9.294 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.886 0.382 8.810 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.149 0.404 9.145 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.756 2.668 9.353 1.00 0.48 H new ATOM 0 HE1 TYR A 112 1.891 2.334 10.007 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.500 4.590 10.212 1.00 0.60 H new ATOM 0 HH TYR A 112 3.502 5.432 10.742 1.00 0.78 H new ATOM 1731 N VAL A 113 7.290 -0.659 5.652 1.00 0.27 N ATOM 1732 CA VAL A 113 8.319 -1.468 5.049 1.00 0.31 C ATOM 1733 C VAL A 113 9.707 -0.973 5.438 1.00 0.28 C ATOM 1734 O VAL A 113 9.989 0.226 5.430 1.00 0.31 O ATOM 1735 CB VAL A 113 8.181 -1.509 3.511 1.00 0.42 C ATOM 1736 CG1 VAL A 113 8.075 -0.110 2.920 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.348 -2.257 2.900 1.00 1.19 C ATOM 0 H VAL A 113 7.155 0.251 5.212 1.00 0.27 H new ATOM 0 HA VAL A 113 8.192 -2.482 5.429 1.00 0.31 H new ATOM 0 HB VAL A 113 7.258 -2.037 3.272 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.979 -0.179 1.836 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.199 0.393 3.330 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.970 0.459 3.170 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.239 -2.279 1.816 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.279 -1.754 3.161 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.367 -3.277 3.283 1.00 1.19 H new ATOM 1747 N ASN A 114 10.559 -1.910 5.805 1.00 0.29 N ATOM 1748 CA ASN A 114 11.942 -1.606 6.118 1.00 0.32 C ATOM 1749 C ASN A 114 12.799 -1.827 4.889 1.00 0.32 C ATOM 1750 O ASN A 114 12.825 -2.924 4.329 1.00 0.35 O ATOM 1751 CB ASN A 114 12.449 -2.465 7.281 1.00 0.42 C ATOM 1752 CG ASN A 114 11.987 -1.952 8.632 1.00 0.84 C ATOM 1753 OD1 ASN A 114 11.861 -0.638 8.757 1.00 1.63 O flip ATOM 1754 ND2 ASN A 114 11.752 -2.725 9.556 1.00 1.28 N flip ATOM 0 H ASN A 114 10.315 -2.896 5.894 1.00 0.29 H new ATOM 0 HA ASN A 114 12.007 -0.562 6.424 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.103 -3.490 7.148 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.538 -2.491 7.260 1.00 0.42 H new ATOM 0 HD21 ASN A 114 11.861 -3.730 9.420 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.448 -2.362 10.460 1.00 1.28 H new ATOM 1761 N ASN A 115 13.484 -0.783 4.462 1.00 0.34 N ATOM 1762 CA ASN A 115 14.281 -0.846 3.257 1.00 0.39 C ATOM 1763 C ASN A 115 15.757 -0.855 3.610 1.00 0.43 C ATOM 1764 O ASN A 115 16.278 0.090 4.199 1.00 0.50 O ATOM 1765 CB ASN A 115 13.953 0.328 2.334 1.00 0.48 C ATOM 1766 CG ASN A 115 12.590 0.194 1.682 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.127 -0.912 1.394 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.932 1.319 1.452 1.00 0.60 N ATOM 0 H ASN A 115 13.503 0.120 4.935 1.00 0.34 H new ATOM 0 HA ASN A 115 14.044 -1.769 2.727 1.00 0.39 H new ATOM 0 HB2 ASN A 115 13.989 1.256 2.905 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.717 0.401 1.560 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.008 1.290 1.022 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.349 2.215 1.705 1.00 0.60 H new ATOM 1775 N GLU A 116 16.410 -1.951 3.287 1.00 0.42 N ATOM 1776 CA GLU A 116 17.829 -2.104 3.541 1.00 0.50 C ATOM 1777 C GLU A 116 18.432 -3.031 2.500 1.00 0.45 C ATOM 1778 O GLU A 116 17.756 -3.922 2.002 1.00 0.54 O ATOM 1779 CB GLU A 116 18.077 -2.652 4.948 1.00 0.69 C ATOM 1780 CG GLU A 116 17.362 -3.961 5.234 1.00 1.26 C ATOM 1781 CD GLU A 116 17.791 -4.571 6.549 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.855 -5.224 6.579 1.00 1.97 O ATOM 1783 OE2 GLU A 116 17.080 -4.400 7.559 1.00 1.87 O ATOM 0 H GLU A 116 15.975 -2.759 2.842 1.00 0.42 H new ATOM 0 HA GLU A 116 18.305 -1.126 3.474 1.00 0.50 H new ATOM 0 HB2 GLU A 116 19.148 -2.797 5.087 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.758 -1.908 5.678 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.286 -3.789 5.249 1.00 1.26 H new ATOM 0 HG3 GLU A 116 17.561 -4.666 4.427 1.00 1.26 H new ATOM 1790 N TYR A 117 19.692 -2.804 2.168 1.00 0.46 N ATOM 1791 CA TYR A 117 20.382 -3.566 1.141 1.00 0.46 C ATOM 1792 C TYR A 117 20.334 -5.069 1.409 1.00 0.52 C ATOM 1793 O TYR A 117 20.140 -5.510 2.542 1.00 0.60 O ATOM 1794 CB TYR A 117 21.828 -3.094 1.053 1.00 0.48 C ATOM 1795 CG TYR A 117 21.961 -1.601 0.836 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.951 -1.065 -0.442 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.102 -0.727 1.912 1.00 0.54 C ATOM 1798 CE1 TYR A 117 22.077 0.290 -0.645 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.226 0.632 1.714 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.214 1.135 0.435 1.00 0.60 C ATOM 1801 OH TYR A 117 22.336 2.486 0.230 1.00 0.69 O ATOM 0 H TYR A 117 20.267 -2.084 2.605 1.00 0.46 H new ATOM 0 HA TYR A 117 19.873 -3.394 0.193 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.348 -3.368 1.971 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.324 -3.618 0.236 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.843 -1.722 -1.293 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.114 -1.120 2.918 1.00 0.54 H new ATOM 0 HE1 TYR A 117 22.069 0.690 -1.648 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.332 1.297 2.559 1.00 0.59 H new ATOM 0 HH TYR A 117 22.136 2.963 1.063 1.00 0.69 H new ATOM 1811 N THR A 118 20.516 -5.843 0.356 1.00 0.54 N ATOM 1812 CA THR A 118 20.472 -7.293 0.449 1.00 0.65 C ATOM 1813 C THR A 118 21.834 -7.838 0.838 1.00 0.74 C ATOM 1814 O THR A 118 21.945 -8.805 1.586 1.00 0.84 O ATOM 1815 CB THR A 118 20.043 -7.925 -0.891 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.906 -7.469 -1.943 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.603 -7.574 -1.227 1.00 0.77 C ATOM 0 H THR A 118 20.698 -5.489 -0.583 1.00 0.54 H new ATOM 0 HA THR A 118 19.739 -7.551 1.213 1.00 0.65 H new ATOM 0 HB THR A 118 20.120 -9.008 -0.795 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.630 -7.875 -2.791 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.329 -8.033 -2.177 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.945 -7.945 -0.441 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.501 -6.492 -1.305 1.00 0.77 H new ATOM 1825 N GLU A 119 22.870 -7.190 0.336 1.00 0.78 N ATOM 1826 CA GLU A 119 24.230 -7.646 0.555 1.00 0.92 C ATOM 1827 C GLU A 119 24.775 -7.034 1.834 1.00 0.95 C ATOM 1828 O GLU A 119 24.661 -5.826 2.045 1.00 0.90 O ATOM 1829 CB GLU A 119 25.105 -7.283 -0.646 1.00 1.00 C ATOM 1830 CG GLU A 119 24.496 -7.733 -1.967 1.00 1.29 C ATOM 1831 CD GLU A 119 25.403 -7.504 -3.155 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.739 -6.334 -3.433 1.00 2.24 O ATOM 1833 OE2 GLU A 119 25.818 -8.492 -3.791 1.00 1.67 O ATOM 0 H GLU A 119 22.794 -6.343 -0.228 1.00 0.78 H new ATOM 0 HA GLU A 119 24.237 -8.731 0.662 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.257 -6.204 -0.668 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.087 -7.741 -0.528 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.253 -8.794 -1.904 1.00 1.29 H new ATOM 0 HG3 GLU A 119 23.559 -7.200 -2.127 1.00 1.29 H new ATOM 1840 N THR A 120 25.352 -7.877 2.681 1.00 1.07 N ATOM 1841 CA THR A 120 25.811 -7.470 4.001 1.00 1.14 C ATOM 1842 C THR A 120 26.775 -6.286 3.926 1.00 1.12 C ATOM 1843 O THR A 120 26.702 -5.370 4.744 1.00 1.13 O ATOM 1844 CB THR A 120 26.493 -8.649 4.714 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.788 -9.861 4.407 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.504 -8.434 6.220 1.00 1.41 C ATOM 0 H THR A 120 25.515 -8.862 2.471 1.00 1.07 H new ATOM 0 HA THR A 120 24.935 -7.156 4.569 1.00 1.14 H new ATOM 0 HB THR A 120 27.524 -8.720 4.367 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.221 -10.615 4.859 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.991 -9.280 6.705 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.049 -7.519 6.453 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.480 -8.348 6.583 1.00 1.41 H new ATOM 1854 N GLU A 121 27.650 -6.297 2.923 1.00 1.13 N ATOM 1855 CA GLU A 121 28.610 -5.217 2.724 1.00 1.14 C ATOM 1856 C GLU A 121 27.890 -3.877 2.586 1.00 1.03 C ATOM 1857 O GLU A 121 28.302 -2.871 3.163 1.00 1.09 O ATOM 1858 CB GLU A 121 29.452 -5.487 1.473 1.00 1.18 C ATOM 1859 CG GLU A 121 30.560 -4.470 1.247 1.00 1.27 C ATOM 1860 CD GLU A 121 31.649 -4.552 2.296 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.475 -3.983 3.391 1.00 2.05 O ATOM 1862 OE2 GLU A 121 32.687 -5.191 2.029 1.00 2.21 O ATOM 0 H GLU A 121 27.713 -7.046 2.233 1.00 1.13 H new ATOM 0 HA GLU A 121 29.265 -5.173 3.594 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.894 -6.480 1.551 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.798 -5.497 0.601 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.998 -4.628 0.261 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.133 -3.467 1.249 1.00 1.27 H new ATOM 1869 N LEU A 122 26.787 -3.883 1.846 1.00 0.90 N ATOM 1870 CA LEU A 122 26.051 -2.660 1.575 1.00 0.82 C ATOM 1871 C LEU A 122 25.156 -2.295 2.753 1.00 0.82 C ATOM 1872 O LEU A 122 24.852 -1.125 2.967 1.00 0.83 O ATOM 1873 CB LEU A 122 25.216 -2.819 0.306 1.00 0.75 C ATOM 1874 CG LEU A 122 26.005 -3.164 -0.957 1.00 0.82 C ATOM 1875 CD1 LEU A 122 25.064 -3.339 -2.136 1.00 0.88 C ATOM 1876 CD2 LEU A 122 27.041 -2.091 -1.255 1.00 0.87 C ATOM 0 H LEU A 122 26.386 -4.721 1.425 1.00 0.90 H new ATOM 0 HA LEU A 122 26.768 -1.853 1.428 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.474 -3.599 0.475 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.670 -1.892 0.132 1.00 0.75 H new ATOM 0 HG LEU A 122 26.529 -4.105 -0.789 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.640 -3.584 -3.028 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.362 -4.145 -1.924 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.514 -2.413 -2.303 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.591 -2.357 -2.158 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.541 -1.134 -1.403 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.735 -2.012 -0.418 1.00 0.87 H new ATOM 1888 N ARG A 123 24.744 -3.302 3.520 1.00 0.86 N ATOM 1889 CA ARG A 123 23.898 -3.075 4.691 1.00 0.94 C ATOM 1890 C ARG A 123 24.681 -2.304 5.738 1.00 1.11 C ATOM 1891 O ARG A 123 24.152 -1.420 6.413 1.00 1.19 O ATOM 1892 CB ARG A 123 23.418 -4.404 5.286 1.00 0.98 C ATOM 1893 CG ARG A 123 22.637 -5.261 4.309 1.00 0.89 C ATOM 1894 CD ARG A 123 22.307 -6.628 4.891 1.00 1.00 C ATOM 1895 NE ARG A 123 21.244 -6.572 5.896 1.00 1.20 N ATOM 1896 CZ ARG A 123 21.005 -7.543 6.780 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.814 -8.592 6.855 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.959 -7.454 7.593 1.00 2.03 N ATOM 0 H ARG A 123 24.981 -4.280 3.353 1.00 0.86 H new ATOM 0 HA ARG A 123 23.025 -2.501 4.381 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.282 -4.967 5.640 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.794 -4.198 6.155 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.714 -4.750 4.036 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.215 -5.386 3.393 1.00 0.89 H new ATOM 0 HD2 ARG A 123 22.005 -7.298 4.086 1.00 1.00 H new ATOM 0 HD3 ARG A 123 23.204 -7.053 5.340 1.00 1.00 H new ATOM 0 HE ARG A 123 20.651 -5.742 5.922 1.00 1.20 H new ATOM 0 HH11 ARG A 123 22.622 -8.658 6.236 1.00 1.82 H new ATOM 0 HH12 ARG A 123 21.628 -9.332 7.532 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.340 -6.645 7.541 1.00 2.03 H new ATOM 0 HH22 ARG A 123 19.774 -8.195 8.269 1.00 2.03 H new ATOM 1912 N GLU A 124 25.953 -2.651 5.851 1.00 1.20 N ATOM 1913 CA GLU A 124 26.843 -2.010 6.797 1.00 1.39 C ATOM 1914 C GLU A 124 27.360 -0.688 6.250 1.00 1.37 C ATOM 1915 O GLU A 124 27.681 0.223 7.013 1.00 1.49 O ATOM 1916 CB GLU A 124 28.014 -2.937 7.122 1.00 1.53 C ATOM 1917 CG GLU A 124 27.580 -4.264 7.716 1.00 1.66 C ATOM 1918 CD GLU A 124 28.747 -5.144 8.105 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.710 -4.630 8.709 1.00 2.06 O ATOM 1920 OE2 GLU A 124 28.723 -6.347 7.777 1.00 2.84 O ATOM 0 H GLU A 124 26.393 -3.381 5.291 1.00 1.20 H new ATOM 0 HA GLU A 124 26.283 -1.805 7.709 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.585 -3.123 6.212 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.683 -2.435 7.821 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.963 -4.078 8.595 1.00 1.66 H new ATOM 0 HG3 GLU A 124 26.957 -4.793 6.995 1.00 1.66 H new ATOM 1927 N ASN A 125 27.434 -0.576 4.930 1.00 1.27 N ATOM 1928 CA ASN A 125 27.990 0.614 4.311 1.00 1.30 C ATOM 1929 C ASN A 125 27.110 1.095 3.169 1.00 1.14 C ATOM 1930 O ASN A 125 27.277 0.656 2.030 1.00 1.10 O ATOM 1931 CB ASN A 125 29.403 0.339 3.783 1.00 1.45 C ATOM 1932 CG ASN A 125 30.331 -0.227 4.841 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.004 0.515 5.560 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.380 -1.550 4.940 1.00 1.62 N ATOM 0 H ASN A 125 27.118 -1.290 4.274 1.00 1.27 H new ATOM 0 HA ASN A 125 28.036 1.391 5.074 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.344 -0.360 2.948 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.826 1.265 3.394 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.991 -1.988 5.630 1.00 1.62 H new ATOM 0 HD22 ASN A 125 29.807 -2.129 4.326 1.00 1.62 H new ATOM 1941 N PRO A 126 26.125 1.966 3.459 1.00 1.13 N ATOM 1942 CA PRO A 126 25.323 2.614 2.424 1.00 1.06 C ATOM 1943 C PRO A 126 26.190 3.454 1.494 1.00 1.09 C ATOM 1944 O PRO A 126 26.829 4.418 1.925 1.00 1.19 O ATOM 1945 CB PRO A 126 24.357 3.511 3.208 1.00 1.15 C ATOM 1946 CG PRO A 126 24.315 2.914 4.570 1.00 1.23 C ATOM 1947 CD PRO A 126 25.694 2.361 4.808 1.00 1.24 C ATOM 0 HA PRO A 126 24.813 1.891 1.788 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.709 4.542 3.238 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.368 3.525 2.750 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.058 3.663 5.319 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.561 2.129 4.632 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.359 3.107 5.243 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.677 1.512 5.492 1.00 1.24 H new ATOM 1955 N PRO A 127 26.238 3.078 0.211 1.00 1.05 N ATOM 1956 CA PRO A 127 26.994 3.804 -0.812 1.00 1.13 C ATOM 1957 C PRO A 127 26.458 5.222 -1.010 1.00 1.19 C ATOM 1958 O PRO A 127 25.388 5.547 -0.482 1.00 1.14 O ATOM 1959 CB PRO A 127 26.806 2.951 -2.075 1.00 1.11 C ATOM 1960 CG PRO A 127 26.381 1.614 -1.567 1.00 1.01 C ATOM 1961 CD PRO A 127 25.558 1.905 -0.354 1.00 0.97 C ATOM 0 HA PRO A 127 28.042 3.935 -0.543 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.053 3.382 -2.736 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.731 2.882 -2.648 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.803 1.073 -2.316 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.242 0.994 -1.320 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.520 2.120 -0.609 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.548 1.066 0.342 1.00 0.97 H new ATOM 1969 N VAL A 128 27.243 6.052 -1.718 1.00 1.34 N ATOM 1970 CA VAL A 128 26.914 7.464 -2.010 1.00 1.44 C ATOM 1971 C VAL A 128 25.428 7.719 -1.948 1.00 1.22 C ATOM 1972 O VAL A 128 24.946 8.462 -1.094 1.00 1.28 O ATOM 1973 CB VAL A 128 27.383 7.877 -3.417 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.480 9.390 -3.541 1.00 1.92 C ATOM 1975 CG2 VAL A 128 28.692 7.212 -3.751 1.00 2.16 C ATOM 0 H VAL A 128 28.138 5.760 -2.111 1.00 1.34 H new ATOM 0 HA VAL A 128 27.430 8.048 -1.248 1.00 1.44 H new ATOM 0 HB VAL A 128 26.639 7.540 -4.139 1.00 1.71 H new ATOM 0 HG11 VAL A 128 27.813 9.652 -4.545 1.00 1.92 H new ATOM 0 HG12 VAL A 128 26.502 9.834 -3.356 1.00 1.92 H new ATOM 0 HG13 VAL A 128 28.194 9.770 -2.811 1.00 1.92 H new ATOM 0 HG21 VAL A 128 29.010 7.514 -4.749 1.00 2.16 H new ATOM 0 HG22 VAL A 128 29.447 7.510 -3.024 1.00 2.16 H new ATOM 0 HG23 VAL A 128 28.568 6.129 -3.722 1.00 2.16 H new ATOM 1985 N LYS A 129 24.704 7.090 -2.855 1.00 1.07 N ATOM 1986 CA LYS A 129 23.269 7.134 -2.817 1.00 0.88 C ATOM 1987 C LYS A 129 22.712 5.717 -2.800 1.00 0.76 C ATOM 1988 O LYS A 129 23.210 4.850 -3.519 1.00 0.80 O ATOM 1989 CB LYS A 129 22.708 7.940 -3.995 1.00 1.00 C ATOM 1990 CG LYS A 129 23.065 9.418 -3.933 1.00 1.12 C ATOM 1991 CD LYS A 129 22.592 10.046 -2.630 1.00 1.29 C ATOM 1992 CE LYS A 129 23.194 11.425 -2.415 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.878 11.964 -1.067 1.00 1.96 N ATOM 0 H LYS A 129 25.094 6.545 -3.624 1.00 1.07 H new ATOM 0 HA LYS A 129 22.957 7.642 -1.904 1.00 0.88 H new ATOM 0 HB2 LYS A 129 23.086 7.520 -4.927 1.00 1.00 H new ATOM 0 HB3 LYS A 129 21.623 7.835 -4.015 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.144 9.538 -4.026 1.00 1.12 H new ATOM 0 HG3 LYS A 129 22.612 9.940 -4.776 1.00 1.12 H new ATOM 0 HD2 LYS A 129 21.505 10.121 -2.637 1.00 1.29 H new ATOM 0 HD3 LYS A 129 22.861 9.398 -1.796 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.275 11.372 -2.540 1.00 1.46 H new ATOM 0 HE3 LYS A 129 22.818 12.108 -3.176 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.307 12.906 -0.960 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.847 12.038 -0.956 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.259 11.326 -0.340 1.00 1.96 H new ATOM 2007 N PRO A 130 21.705 5.461 -1.946 1.00 0.66 N ATOM 2008 CA PRO A 130 21.071 4.150 -1.801 1.00 0.57 C ATOM 2009 C PRO A 130 20.762 3.481 -3.132 1.00 0.52 C ATOM 2010 O PRO A 130 20.429 4.136 -4.124 1.00 0.64 O ATOM 2011 CB PRO A 130 19.774 4.443 -1.037 1.00 0.55 C ATOM 2012 CG PRO A 130 19.694 5.934 -0.946 1.00 0.64 C ATOM 2013 CD PRO A 130 21.106 6.419 -1.023 1.00 0.71 C ATOM 0 HA PRO A 130 21.734 3.453 -1.289 1.00 0.57 H new ATOM 0 HB2 PRO A 130 18.909 4.034 -1.560 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.791 3.989 -0.046 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.094 6.344 -1.758 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.223 6.245 -0.013 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.167 7.440 -1.399 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.595 6.408 -0.049 1.00 0.71 H new ATOM 2021 N ASP A 131 20.846 2.167 -3.132 1.00 0.45 N ATOM 2022 CA ASP A 131 20.740 1.408 -4.364 1.00 0.45 C ATOM 2023 C ASP A 131 19.478 0.574 -4.347 1.00 0.39 C ATOM 2024 O ASP A 131 19.338 -0.337 -3.536 1.00 0.39 O ATOM 2025 CB ASP A 131 21.965 0.511 -4.565 1.00 0.53 C ATOM 2026 CG ASP A 131 22.032 -0.057 -5.969 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.221 -0.942 -6.296 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.885 0.406 -6.757 1.00 1.06 O ATOM 0 H ASP A 131 20.987 1.602 -2.295 1.00 0.45 H new ATOM 0 HA ASP A 131 20.696 2.109 -5.197 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.870 1.084 -4.363 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.937 -0.307 -3.845 1.00 0.53 H new ATOM 2033 N PHE A 132 18.567 0.897 -5.244 1.00 0.38 N ATOM 2034 CA PHE A 132 17.254 0.274 -5.266 1.00 0.35 C ATOM 2035 C PHE A 132 17.319 -1.106 -5.906 1.00 0.37 C ATOM 2036 O PHE A 132 16.426 -1.934 -5.722 1.00 0.38 O ATOM 2037 CB PHE A 132 16.273 1.177 -6.013 1.00 0.38 C ATOM 2038 CG PHE A 132 16.142 2.539 -5.389 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.054 3.540 -5.679 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.096 2.822 -4.526 1.00 0.35 C ATOM 2041 CE1 PHE A 132 16.925 4.794 -5.118 1.00 0.50 C ATOM 2042 CE2 PHE A 132 14.962 4.076 -3.965 1.00 0.40 C ATOM 2043 CZ PHE A 132 15.921 5.045 -4.212 1.00 0.46 C ATOM 0 H PHE A 132 18.712 1.594 -5.975 1.00 0.38 H new ATOM 0 HA PHE A 132 16.905 0.144 -4.241 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.602 1.286 -7.046 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.294 0.699 -6.039 1.00 0.38 H new ATOM 0 HD1 PHE A 132 17.875 3.337 -6.351 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.377 2.052 -4.289 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.614 5.580 -5.391 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.113 4.301 -3.336 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.880 5.993 -3.696 1.00 0.46 H new ATOM 2053 N SER A 133 18.391 -1.353 -6.642 1.00 0.42 N ATOM 2054 CA SER A 133 18.601 -2.638 -7.289 1.00 0.47 C ATOM 2055 C SER A 133 19.212 -3.631 -6.301 1.00 0.48 C ATOM 2056 O SER A 133 19.221 -4.839 -6.540 1.00 0.62 O ATOM 2057 CB SER A 133 19.511 -2.468 -8.513 1.00 0.54 C ATOM 2058 OG SER A 133 19.540 -3.644 -9.309 1.00 1.46 O ATOM 0 H SER A 133 19.134 -0.674 -6.807 1.00 0.42 H new ATOM 0 HA SER A 133 17.640 -3.029 -7.622 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.160 -1.629 -9.114 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.522 -2.225 -8.185 1.00 0.54 H new ATOM 0 HG SER A 133 19.389 -4.428 -8.740 1.00 1.46 H new ATOM 2064 N LYS A 134 19.704 -3.115 -5.181 1.00 0.40 N ATOM 2065 CA LYS A 134 20.321 -3.940 -4.155 1.00 0.43 C ATOM 2066 C LYS A 134 19.592 -3.761 -2.853 1.00 0.39 C ATOM 2067 O LYS A 134 20.047 -4.196 -1.798 1.00 0.46 O ATOM 2068 CB LYS A 134 21.791 -3.573 -3.974 1.00 0.48 C ATOM 2069 CG LYS A 134 22.700 -4.233 -4.994 1.00 0.65 C ATOM 2070 CD LYS A 134 22.611 -5.747 -4.897 1.00 0.78 C ATOM 2071 CE LYS A 134 23.399 -6.433 -6.000 1.00 1.00 C ATOM 2072 NZ LYS A 134 24.833 -6.052 -5.981 1.00 1.87 N ATOM 0 H LYS A 134 19.686 -2.119 -4.961 1.00 0.40 H new ATOM 0 HA LYS A 134 20.260 -4.982 -4.469 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.900 -2.491 -4.045 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.110 -3.860 -2.972 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.422 -3.911 -5.998 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.729 -3.914 -4.831 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.987 -6.071 -3.927 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.566 -6.054 -4.953 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.310 -7.514 -5.890 1.00 1.00 H new ATOM 0 HE3 LYS A 134 22.968 -6.174 -6.967 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.405 -6.833 -6.361 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.975 -5.203 -6.565 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.126 -5.852 -5.003 1.00 1.87 H new ATOM 2086 N LEU A 135 18.457 -3.113 -2.940 1.00 0.41 N ATOM 2087 CA LEU A 135 17.671 -2.812 -1.778 1.00 0.40 C ATOM 2088 C LEU A 135 16.635 -3.899 -1.578 1.00 0.41 C ATOM 2089 O LEU A 135 15.963 -4.296 -2.523 1.00 0.46 O ATOM 2090 CB LEU A 135 16.993 -1.458 -1.963 1.00 0.41 C ATOM 2091 CG LEU A 135 16.678 -0.717 -0.678 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.960 -0.403 0.078 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.903 0.556 -0.979 1.00 0.74 C ATOM 0 H LEU A 135 18.056 -2.782 -3.817 1.00 0.41 H new ATOM 0 HA LEU A 135 18.311 -2.768 -0.897 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.635 -0.829 -2.579 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.065 -1.606 -2.516 1.00 0.41 H new ATOM 0 HG LEU A 135 16.057 -1.354 -0.048 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.719 0.129 0.998 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.476 -1.332 0.321 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.605 0.219 -0.542 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.684 1.077 -0.047 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.499 1.201 -1.624 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.969 0.303 -1.482 1.00 0.74 H new ATOM 2105 N GLN A 136 16.533 -4.407 -0.369 1.00 0.40 N ATOM 2106 CA GLN A 136 15.533 -5.401 -0.054 1.00 0.41 C ATOM 2107 C GLN A 136 14.358 -4.731 0.625 1.00 0.38 C ATOM 2108 O GLN A 136 14.521 -4.039 1.633 1.00 0.44 O ATOM 2109 CB GLN A 136 16.088 -6.489 0.858 1.00 0.46 C ATOM 2110 CG GLN A 136 15.227 -7.739 0.858 1.00 0.58 C ATOM 2111 CD GLN A 136 15.509 -8.662 2.020 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.870 -8.096 3.157 1.00 1.63 O flip ATOM 2113 NE2 GLN A 136 15.381 -9.878 1.900 1.00 0.72 N flip ATOM 0 H GLN A 136 17.133 -4.146 0.414 1.00 0.40 H new ATOM 0 HA GLN A 136 15.218 -5.870 -0.986 1.00 0.41 H new ATOM 0 HB2 GLN A 136 17.098 -6.747 0.539 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.164 -6.103 1.875 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.177 -7.448 0.882 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.387 -8.281 -0.074 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.100 -10.275 1.003 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.556 -10.490 2.697 1.00 0.72 H new ATOM 2122 N ARG A 137 13.185 -4.926 0.068 1.00 0.36 N ATOM 2123 CA ARG A 137 11.984 -4.360 0.625 1.00 0.35 C ATOM 2124 C ARG A 137 11.392 -5.349 1.625 1.00 0.35 C ATOM 2125 O ARG A 137 10.826 -6.378 1.239 1.00 0.39 O ATOM 2126 CB ARG A 137 11.000 -4.054 -0.508 1.00 0.43 C ATOM 2127 CG ARG A 137 9.959 -3.009 -0.157 1.00 1.02 C ATOM 2128 CD ARG A 137 9.130 -2.619 -1.367 1.00 1.29 C ATOM 2129 NE ARG A 137 8.300 -3.723 -1.845 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.041 -3.955 -3.130 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.588 -3.194 -4.071 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.250 -4.965 -3.478 1.00 2.05 N ATOM 0 H ARG A 137 13.039 -5.478 -0.778 1.00 0.36 H new ATOM 0 HA ARG A 137 12.201 -3.428 1.147 1.00 0.35 H new ATOM 0 HB2 ARG A 137 11.560 -3.715 -1.380 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.493 -4.976 -0.793 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.304 -3.395 0.624 1.00 1.02 H new ATOM 0 HG3 ARG A 137 10.452 -2.125 0.248 1.00 1.02 H new ATOM 0 HD2 ARG A 137 8.493 -1.772 -1.112 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.792 -2.290 -2.168 1.00 1.29 H new ATOM 0 HE ARG A 137 7.895 -4.353 -1.153 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.209 -2.428 -3.810 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.387 -3.375 -5.054 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.841 -5.563 -2.760 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.052 -5.142 -4.463 1.00 2.05 H new ATOM 2146 N ASN A 138 11.557 -5.047 2.909 1.00 0.35 N ATOM 2147 CA ASN A 138 11.080 -5.916 3.982 1.00 0.39 C ATOM 2148 C ASN A 138 9.835 -5.325 4.618 1.00 0.39 C ATOM 2149 O ASN A 138 9.908 -4.563 5.581 1.00 0.49 O ATOM 2150 CB ASN A 138 12.174 -6.125 5.038 1.00 0.45 C ATOM 2151 CG ASN A 138 11.745 -7.049 6.165 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.852 -8.268 6.055 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.278 -6.476 7.263 1.00 0.67 N ATOM 0 H ASN A 138 12.022 -4.199 3.235 1.00 0.35 H new ATOM 0 HA ASN A 138 10.829 -6.887 3.555 1.00 0.39 H new ATOM 0 HB2 ASN A 138 13.061 -6.536 4.557 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.457 -5.159 5.456 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.992 -7.050 8.056 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.204 -5.460 7.316 1.00 0.67 H new ATOM 2160 N ILE A 139 8.694 -5.654 4.051 1.00 0.37 N ATOM 2161 CA ILE A 139 7.427 -5.117 4.512 1.00 0.36 C ATOM 2162 C ILE A 139 7.014 -5.775 5.818 1.00 0.37 C ATOM 2163 O ILE A 139 6.854 -6.994 5.882 1.00 0.46 O ATOM 2164 CB ILE A 139 6.326 -5.330 3.457 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.808 -4.811 2.103 1.00 0.42 C ATOM 2166 CG2 ILE A 139 5.040 -4.629 3.875 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.898 -5.172 0.955 1.00 0.48 C ATOM 0 H ILE A 139 8.616 -6.297 3.263 1.00 0.37 H new ATOM 0 HA ILE A 139 7.556 -4.047 4.675 1.00 0.36 H new ATOM 0 HB ILE A 139 6.114 -6.396 3.373 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.902 -3.726 2.153 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.803 -5.209 1.905 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.274 -4.791 3.117 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.698 -5.033 4.828 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.226 -3.560 3.980 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.305 -4.770 0.027 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.822 -6.257 0.878 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.908 -4.751 1.129 1.00 0.48 H new ATOM 2179 N LEU A 140 6.858 -4.969 6.853 1.00 0.35 N ATOM 2180 CA LEU A 140 6.445 -5.474 8.148 1.00 0.39 C ATOM 2181 C LEU A 140 4.951 -5.758 8.143 1.00 0.36 C ATOM 2182 O LEU A 140 4.148 -4.932 8.569 1.00 0.37 O ATOM 2183 CB LEU A 140 6.786 -4.475 9.261 1.00 0.47 C ATOM 2184 CG LEU A 140 8.263 -4.094 9.381 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.450 -3.052 10.472 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.109 -5.323 9.664 1.00 0.99 C ATOM 0 H LEU A 140 7.012 -3.961 6.821 1.00 0.35 H new ATOM 0 HA LEU A 140 6.986 -6.400 8.343 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.207 -3.566 9.098 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.459 -4.894 10.213 1.00 0.47 H new ATOM 0 HG LEU A 140 8.590 -3.666 8.433 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.505 -2.789 10.547 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.871 -2.161 10.228 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.108 -3.457 11.424 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.156 -5.033 9.746 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.785 -5.780 10.599 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.994 -6.039 8.850 1.00 0.99 H new ATOM 2198 N ALA A 141 4.580 -6.925 7.629 1.00 0.39 N ATOM 2199 CA ALA A 141 3.183 -7.333 7.591 1.00 0.42 C ATOM 2200 C ALA A 141 2.673 -7.617 8.999 1.00 0.49 C ATOM 2201 O ALA A 141 1.468 -7.669 9.239 1.00 0.55 O ATOM 2202 CB ALA A 141 3.011 -8.548 6.694 1.00 0.48 C ATOM 0 H ALA A 141 5.229 -7.605 7.233 1.00 0.39 H new ATOM 0 HA ALA A 141 2.591 -6.517 7.175 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.961 -8.841 6.676 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.337 -8.303 5.683 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.611 -9.372 7.079 1.00 0.48 H new ATOM 2208 N SER A 142 3.608 -7.789 9.926 1.00 0.52 N ATOM 2209 CA SER A 142 3.276 -7.950 11.332 1.00 0.62 C ATOM 2210 C SER A 142 2.839 -6.612 11.927 1.00 0.61 C ATOM 2211 O SER A 142 2.328 -6.551 13.046 1.00 0.70 O ATOM 2212 CB SER A 142 4.489 -8.495 12.086 1.00 0.72 C ATOM 2213 OG SER A 142 5.011 -9.637 11.428 1.00 1.42 O ATOM 0 H SER A 142 4.607 -7.820 9.725 1.00 0.52 H new ATOM 0 HA SER A 142 2.451 -8.656 11.427 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.257 -7.725 12.155 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.204 -8.754 13.106 1.00 0.72 H new ATOM 0 HG SER A 142 5.788 -9.973 11.922 1.00 1.42 H new ATOM 2219 N ASN A 143 3.041 -5.540 11.164 1.00 0.56 N ATOM 2220 CA ASN A 143 2.620 -4.210 11.582 1.00 0.60 C ATOM 2221 C ASN A 143 1.717 -3.573 10.534 1.00 0.49 C ATOM 2222 O ASN A 143 2.159 -2.736 9.746 1.00 0.49 O ATOM 2223 CB ASN A 143 3.824 -3.299 11.851 1.00 0.74 C ATOM 2224 CG ASN A 143 4.583 -3.688 13.103 1.00 1.25 C ATOM 2225 OD1 ASN A 143 5.655 -4.448 12.944 1.00 1.87 O flip ATOM 2226 ND2 ASN A 143 4.216 -3.290 14.208 1.00 1.91 N flip ATOM 0 H ASN A 143 3.495 -5.570 10.251 1.00 0.56 H new ATOM 0 HA ASN A 143 2.061 -4.325 12.511 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.499 -3.334 10.996 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.481 -2.269 11.944 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.384 -2.706 14.289 1.00 1.91 H new ATOM 0 HD22 ASN A 143 4.744 -3.544 15.043 1.00 1.91 H new ATOM 2233 N PRO A 144 0.445 -3.991 10.485 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.540 -3.402 9.602 1.00 0.43 C ATOM 2235 C PRO A 144 -1.249 -2.237 10.277 1.00 0.39 C ATOM 2236 O PRO A 144 -2.066 -2.437 11.179 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.521 -4.553 9.340 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.192 -5.629 10.339 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.148 -5.074 11.273 1.00 0.60 C ATOM 0 HA PRO A 144 -0.101 -2.998 8.690 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.552 -4.218 9.455 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.419 -4.925 8.321 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.084 -5.924 10.892 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.820 -6.521 9.834 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.588 -4.706 12.200 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.591 -5.827 11.548 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.925 -1.025 9.861 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.536 0.150 10.452 1.00 0.33 C ATOM 2249 C ARG A 145 -2.843 0.452 9.747 1.00 0.30 C ATOM 2250 O ARG A 145 -2.859 1.019 8.656 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.614 1.361 10.377 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.014 2.454 11.352 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.099 3.655 11.251 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.408 4.658 12.266 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.127 5.956 12.150 1.00 2.42 C ATOM 2256 NH1 ARG A 145 0.507 6.414 11.078 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -0.470 6.793 13.119 1.00 3.15 N ATOM 0 H ARG A 145 -0.248 -0.831 9.123 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.723 -0.060 11.505 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.409 1.049 10.585 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.625 1.761 9.363 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -2.041 2.761 11.154 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -0.989 2.062 12.369 1.00 0.98 H new ATOM 0 HD2 ARG A 145 0.937 3.333 11.361 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -0.191 4.100 10.260 1.00 1.21 H new ATOM 0 HE ARG A 145 -0.869 4.345 13.120 1.00 1.63 H new ATOM 0 HH11 ARG A 145 0.783 5.772 10.335 1.00 3.00 H new ATOM 0 HH12 ARG A 145 0.718 7.409 10.997 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -0.947 6.443 13.950 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -0.257 7.787 13.034 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.935 0.048 10.357 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.236 0.227 9.750 1.00 0.39 C ATOM 2273 C VAL A 146 -5.914 1.464 10.312 1.00 0.40 C ATOM 2274 O VAL A 146 -6.395 1.465 11.445 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.144 -1.005 9.965 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.487 -0.812 9.271 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.459 -2.268 9.463 1.00 1.11 C ATOM 0 H VAL A 146 -3.949 -0.406 11.271 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.080 0.350 8.678 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.325 -1.114 11.034 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.111 -1.691 9.435 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.985 0.068 9.679 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.327 -0.675 8.202 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -6.113 -3.125 9.623 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.246 -2.168 8.399 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.527 -2.417 10.007 1.00 1.11 H new ATOM 2287 N THR A 147 -5.921 2.528 9.530 1.00 0.40 N ATOM 2288 CA THR A 147 -6.663 3.713 9.895 1.00 0.42 C ATOM 2289 C THR A 147 -7.923 3.780 9.060 1.00 0.35 C ATOM 2290 O THR A 147 -7.862 4.032 7.858 1.00 0.33 O ATOM 2291 CB THR A 147 -5.854 5.002 9.663 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.517 4.855 10.162 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.525 6.182 10.351 1.00 0.52 C ATOM 0 H THR A 147 -5.422 2.593 8.642 1.00 0.40 H new ATOM 0 HA THR A 147 -6.893 3.644 10.958 1.00 0.42 H new ATOM 0 HB THR A 147 -5.815 5.188 8.590 1.00 0.47 H new ATOM 0 HG1 THR A 147 -3.906 4.687 9.415 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.940 7.085 10.177 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.529 6.316 9.947 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.588 5.991 11.422 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.058 3.530 9.675 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.307 3.618 8.956 1.00 0.34 C ATOM 2303 C ARG A 148 -11.051 4.881 9.353 1.00 0.37 C ATOM 2304 O ARG A 148 -11.111 5.251 10.527 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.172 2.370 9.169 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.617 2.145 10.604 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.540 0.944 10.703 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.708 1.090 9.837 1.00 1.48 N ATOM 2309 CZ ARG A 148 -14.403 0.070 9.338 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -14.060 -1.183 9.618 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.450 0.302 8.557 1.00 3.00 N ATOM 0 H ARG A 148 -9.141 3.268 10.657 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.083 3.669 7.891 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.056 2.445 8.536 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.614 1.496 8.835 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.745 1.992 11.240 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.129 3.033 10.974 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -11.994 0.041 10.429 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.865 0.819 11.736 1.00 0.88 H new ATOM 0 HE ARG A 148 -14.010 2.035 9.599 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.258 -1.370 10.220 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.599 -1.958 9.231 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -15.722 1.261 8.340 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -15.983 -0.478 8.174 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.609 5.532 8.357 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.229 6.828 8.521 1.00 0.36 C ATOM 2327 C PHE A 149 -13.744 6.694 8.489 1.00 0.38 C ATOM 2328 O PHE A 149 -14.292 5.929 7.692 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.768 7.757 7.393 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.281 7.749 7.169 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.457 8.572 7.918 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.708 6.923 6.217 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.092 8.575 7.725 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.340 6.920 6.018 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.538 7.718 6.737 1.00 0.40 C ATOM 0 H PHE A 149 -11.646 5.174 7.403 1.00 0.33 H new ATOM 0 HA PHE A 149 -11.935 7.246 9.484 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.267 7.466 6.469 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.086 8.774 7.620 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.890 9.221 8.665 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.336 6.275 5.624 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.455 9.218 8.315 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.912 6.266 5.273 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.472 7.709 6.565 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.413 7.418 9.365 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.865 7.453 9.367 1.00 0.51 C ATOM 2347 C HIS A 150 -16.341 8.376 8.252 1.00 0.52 C ATOM 2348 O HIS A 150 -16.129 9.587 8.308 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.383 7.931 10.730 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.879 7.931 10.854 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -18.628 9.086 10.897 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.765 6.912 10.952 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -19.904 8.777 11.016 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.017 7.463 11.047 1.00 2.73 N ATOM 0 H HIS A 150 -13.975 7.991 10.086 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.257 6.451 9.193 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -15.965 7.293 11.509 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.014 8.940 10.913 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.529 5.858 10.955 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -20.720 9.482 11.078 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -20.891 6.943 11.128 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.953 7.801 7.228 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.393 8.563 6.084 1.00 0.50 C ATOM 2365 C ILE A 151 -18.835 8.226 5.775 1.00 0.49 C ATOM 2366 O ILE A 151 -19.451 7.401 6.449 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.544 8.276 4.823 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.758 6.835 4.348 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.070 8.535 5.101 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.277 6.586 2.936 1.00 0.64 C ATOM 0 H ILE A 151 -17.154 6.803 7.172 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.281 9.617 6.339 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.867 8.950 4.030 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.238 6.157 5.025 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.819 6.595 4.409 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.488 8.328 4.203 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.932 9.577 5.390 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.733 7.886 5.909 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.460 5.546 2.667 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.815 7.239 2.248 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.209 6.794 2.873 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.352 8.845 4.743 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.723 8.639 4.343 1.00 0.51 C ATOM 2384 C ASN A 152 -20.809 7.709 3.154 1.00 0.49 C ATOM 2385 O ASN A 152 -20.510 8.100 2.028 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.357 9.970 3.993 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.898 10.694 5.200 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -23.036 10.474 5.615 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.100 11.574 5.763 1.00 1.33 N ATOM 0 H ASN A 152 -18.837 9.503 4.158 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.257 8.182 5.176 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -20.618 10.600 3.498 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.165 9.806 3.280 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.417 12.104 6.575 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -20.164 11.727 5.388 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.196 6.473 3.406 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.480 5.535 2.335 1.00 0.59 C ATOM 2398 C TRP A 153 -22.890 5.787 1.840 1.00 0.72 C ATOM 2399 O TRP A 153 -23.300 5.309 0.780 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.387 4.097 2.830 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.086 3.739 3.477 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.660 4.107 4.719 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.057 2.911 2.929 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.429 3.562 4.973 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.038 2.822 3.892 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.898 2.238 1.718 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -16.882 2.082 3.680 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.750 1.504 1.508 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.756 1.428 2.486 1.00 0.53 C ATOM 0 H TRP A 153 -21.321 6.094 4.345 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.750 5.677 1.538 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.192 3.920 3.543 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.554 3.426 1.988 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.212 4.736 5.402 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -17.891 3.688 5.830 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.662 2.291 0.957 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.109 2.025 4.432 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.617 0.980 0.573 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -15.870 0.841 2.295 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.610 6.576 2.624 1.00 0.80 N ATOM 2421 CA GLU A 154 -25.022 6.787 2.421 1.00 0.99 C ATOM 2422 C GLU A 154 -25.227 8.182 1.877 1.00 0.96 C ATOM 2423 O GLU A 154 -24.651 9.144 2.391 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.768 6.622 3.748 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.328 5.410 4.561 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.732 4.083 3.946 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.203 3.720 2.877 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -26.564 3.374 4.546 1.00 2.07 O ATOM 0 H GLU A 154 -23.224 7.086 3.419 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.412 6.055 1.713 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.624 7.521 4.348 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.836 6.542 3.545 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.244 5.433 4.673 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -25.754 5.481 5.562 1.00 1.48 H new ATOM 2435 N ASP A 155 -26.025 8.301 0.834 1.00 0.99 N ATOM 2436 CA ASP A 155 -26.259 9.594 0.220 1.00 1.07 C ATOM 2437 C ASP A 155 -27.329 10.371 0.979 1.00 1.02 C ATOM 2438 O ASP A 155 -28.458 10.539 0.521 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.617 9.435 -1.262 1.00 1.41 C ATOM 2440 CG ASP A 155 -27.667 8.367 -1.522 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -28.875 8.682 -1.500 1.00 1.86 O ATOM 2442 OD2 ASP A 155 -27.282 7.203 -1.759 1.00 2.49 O ATOM 0 H ASP A 155 -26.520 7.524 0.396 1.00 0.99 H new ATOM 0 HA ASP A 155 -25.337 10.173 0.274 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -26.979 10.389 -1.644 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -25.714 9.189 -1.821 1.00 1.41 H new ATOM 2447 N ASN A 156 -26.959 10.833 2.161 1.00 1.06 N ATOM 2448 CA ASN A 156 -27.850 11.623 2.993 1.00 1.31 C ATOM 2449 C ASN A 156 -27.430 13.087 2.979 1.00 1.59 C ATOM 2450 O ASN A 156 -26.434 13.443 3.633 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.922 11.066 4.429 1.00 1.55 C ATOM 2452 CG ASN A 156 -26.587 10.591 4.999 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -26.542 9.621 5.756 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -25.503 11.277 4.676 1.00 2.27 N ATOM 2455 OXT ASN A 156 -28.099 13.881 2.290 1.00 2.05 O ATOM 0 H ASN A 156 -26.038 10.672 2.569 1.00 1.06 H new ATOM 0 HA ASN A 156 -28.855 11.556 2.576 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -28.326 11.838 5.083 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.625 10.233 4.446 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -24.596 11.007 5.057 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -25.574 12.076 4.046 1.00 2.27 H new TER 2462 ASN A 156