USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1204 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 GLN :FLIP amide:sc= -0.219 F(o=-0.5,f=0.44) USER MOD Set 1.2: A 152 ASN : amide:sc= 0.663 K(o=0.44,f=-0.72) USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.0643 X(o=0.064,f=-0.016) USER MOD Set 3.1: A 30 CYS SG : rot 161:sc= -1.91 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.51 K(o=-1.4,f=-5.6!) USER MOD Set 4.1: A 1 MET CE :methyl 170:sc= -1.07 (180deg=-1.33) USER MOD Set 4.2: A 150 HIS :FLIP no HD1:sc= -0.073 F(o=-2,f=-1.1) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.49 (180deg=0.338) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.662) USER MOD Single : A 5 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.63) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.0721 K(o=0.072,f=-3.5!) USER MOD Single : A 16 SER OG : rot 73:sc= 1.19 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.92 K(o=1.9,f=-0.91) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.08) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 122:sc= -0.785! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.64 K(o=0.64,f=-7.1!) USER MOD Single : A 59 SER OG : rot 40:sc= 0.142 USER MOD Single : A 71 MET CE :methyl 159:sc= -0.25 (180deg=-0.921) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0253 F(o=-1.4!,f=-0.025) USER MOD Single : A 80 ASN : amide:sc= 0.0101 K(o=0.01,f=-2.1) USER MOD Single : A 98 THR OG1 : rot -136:sc= 1.29 USER MOD Single : A 99 CYS SG : rot 23:sc= -0.402 USER MOD Single : A 100 THR OG1 : rot 116:sc= 1.23 USER MOD Single : A 101 TYR OH : rot 30:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 152:sc= 0.432 (180deg=0.118) USER MOD Single : A 133 SER OG : rot -26:sc= 0.119 USER MOD Single : A 134 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.224) USER MOD Single : A 136 GLN :FLIP amide:sc= -1.72 F(o=-3.3!,f=-1.7) USER MOD Single : A 138 ASN : amide:sc= 0.00414 X(o=0.0041,f=0) USER MOD Single : A 142 SER OG : rot -91:sc= 0.0659 USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 147 THR OG1 : rot -50:sc= 0.984 USER MOD Single : A 156 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.360 1.753 8.731 1.00 2.96 N ATOM 2 CA MET A 1 -22.589 2.253 7.357 1.00 2.49 C ATOM 3 C MET A 1 -21.678 1.531 6.370 1.00 1.61 C ATOM 4 O MET A 1 -21.803 1.699 5.156 1.00 2.04 O ATOM 5 CB MET A 1 -22.311 3.756 7.279 1.00 2.65 C ATOM 6 CG MET A 1 -20.843 4.090 7.044 1.00 2.26 C ATOM 7 SD MET A 1 -19.772 3.664 8.429 1.00 2.63 S ATOM 8 CE MET A 1 -18.181 4.159 7.766 1.00 2.46 C ATOM 0 H1 MET A 1 -23.066 2.166 9.373 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.446 0.717 8.742 1.00 2.96 H new ATOM 0 H3 MET A 1 -21.406 2.025 9.045 1.00 2.96 H new ATOM 0 HA MET A 1 -23.631 2.062 7.100 1.00 2.49 H new ATOM 0 HB2 MET A 1 -22.907 4.187 6.474 1.00 2.65 H new ATOM 0 HB3 MET A 1 -22.639 4.227 8.206 1.00 2.65 H new ATOM 0 HG2 MET A 1 -20.498 3.564 6.154 1.00 2.26 H new ATOM 0 HG3 MET A 1 -20.751 5.157 6.839 1.00 2.26 H new ATOM 0 HE1 MET A 1 -17.432 4.129 8.557 1.00 2.46 H new ATOM 0 HE2 MET A 1 -17.892 3.477 6.967 1.00 2.46 H new ATOM 0 HE3 MET A 1 -18.251 5.172 7.370 1.00 2.46 H new ATOM 18 N ALA A 2 -20.754 0.737 6.903 1.00 0.91 N ATOM 19 CA ALA A 2 -19.730 0.097 6.093 1.00 0.66 C ATOM 20 C ALA A 2 -20.347 -0.863 5.093 1.00 0.57 C ATOM 21 O ALA A 2 -21.048 -1.800 5.459 1.00 0.68 O ATOM 22 CB ALA A 2 -18.726 -0.621 6.980 1.00 1.48 C ATOM 0 H ALA A 2 -20.696 0.522 7.898 1.00 0.91 H new ATOM 0 HA ALA A 2 -19.206 0.871 5.532 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.966 -1.095 6.359 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.252 0.098 7.649 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.239 -1.381 7.569 1.00 1.48 H new ATOM 28 N LYS A 3 -20.132 -0.581 3.824 1.00 0.46 N ATOM 29 CA LYS A 3 -20.644 -1.420 2.755 1.00 0.45 C ATOM 30 C LYS A 3 -19.537 -2.285 2.165 1.00 0.35 C ATOM 31 O LYS A 3 -19.790 -3.159 1.345 1.00 0.36 O ATOM 32 CB LYS A 3 -21.322 -0.536 1.719 1.00 0.54 C ATOM 33 CG LYS A 3 -22.496 0.207 2.328 1.00 0.82 C ATOM 34 CD LYS A 3 -22.851 1.471 1.579 1.00 0.81 C ATOM 35 CE LYS A 3 -23.820 2.318 2.394 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.176 1.709 2.463 1.00 0.98 N ATOM 0 H LYS A 3 -19.602 0.230 3.504 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.388 -2.114 3.145 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.603 0.178 1.318 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.666 -1.146 0.884 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.364 -0.452 2.349 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.262 0.458 3.362 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.947 2.042 1.369 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.299 1.218 0.618 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.429 2.445 3.403 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.892 3.312 1.952 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.867 2.432 2.749 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.435 1.333 1.529 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.175 0.937 3.159 1.00 0.98 H new ATOM 50 N VAL A 4 -18.313 -2.025 2.606 1.00 0.32 N ATOM 51 CA VAL A 4 -17.145 -2.806 2.225 1.00 0.29 C ATOM 52 C VAL A 4 -16.184 -2.834 3.399 1.00 0.33 C ATOM 53 O VAL A 4 -15.755 -1.789 3.888 1.00 0.45 O ATOM 54 CB VAL A 4 -16.434 -2.249 0.960 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.926 -2.465 1.017 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.989 -2.911 -0.288 1.00 0.27 C ATOM 0 H VAL A 4 -18.102 -1.258 3.245 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.476 -3.813 1.970 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.624 -1.176 0.927 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.466 -2.062 0.115 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.518 -1.956 1.890 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.714 -3.532 1.087 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.483 -2.512 -1.167 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.826 -3.987 -0.232 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.058 -2.710 -0.362 1.00 0.27 H new ATOM 66 N GLN A 5 -15.892 -4.025 3.876 1.00 0.30 N ATOM 67 CA GLN A 5 -15.022 -4.185 5.020 1.00 0.34 C ATOM 68 C GLN A 5 -13.898 -5.162 4.701 1.00 0.31 C ATOM 69 O GLN A 5 -14.135 -6.357 4.497 1.00 0.32 O ATOM 70 CB GLN A 5 -15.837 -4.661 6.224 1.00 0.41 C ATOM 71 CG GLN A 5 -15.010 -4.925 7.468 1.00 0.72 C ATOM 72 CD GLN A 5 -14.171 -3.733 7.896 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.559 -2.582 7.710 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.008 -4.008 8.464 1.00 1.39 N ATOM 0 H GLN A 5 -16.246 -4.899 3.487 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.570 -3.224 5.264 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.593 -3.911 6.456 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.366 -5.574 5.952 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.675 -5.205 8.285 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.354 -5.776 7.286 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.724 -4.978 8.600 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.396 -3.250 8.766 1.00 1.39 H new ATOM 83 N VAL A 6 -12.682 -4.645 4.634 1.00 0.32 N ATOM 84 CA VAL A 6 -11.516 -5.472 4.374 1.00 0.34 C ATOM 85 C VAL A 6 -11.247 -6.383 5.564 1.00 0.38 C ATOM 86 O VAL A 6 -10.943 -5.918 6.661 1.00 0.60 O ATOM 87 CB VAL A 6 -10.259 -4.622 4.077 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.052 -5.513 3.812 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.509 -3.692 2.896 1.00 1.32 C ATOM 0 H VAL A 6 -12.477 -3.653 4.757 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.731 -6.071 3.489 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.045 -4.013 4.956 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.180 -4.892 3.606 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.858 -6.132 4.688 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.254 -6.153 2.953 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.613 -3.102 2.702 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.753 -4.283 2.013 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.340 -3.025 3.127 1.00 1.32 H new ATOM 99 N ASN A 7 -11.382 -7.677 5.342 1.00 0.32 N ATOM 100 CA ASN A 7 -11.173 -8.653 6.396 1.00 0.36 C ATOM 101 C ASN A 7 -9.727 -9.107 6.416 1.00 0.37 C ATOM 102 O ASN A 7 -8.989 -8.812 7.354 1.00 0.46 O ATOM 103 CB ASN A 7 -12.100 -9.858 6.216 1.00 0.37 C ATOM 104 CG ASN A 7 -13.487 -9.621 6.781 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.753 -9.930 7.939 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.379 -9.072 5.975 1.00 0.53 N ATOM 0 H ASN A 7 -11.636 -8.078 4.439 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.408 -8.178 7.349 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.180 -10.094 5.155 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.658 -10.727 6.703 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.326 -8.892 6.309 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.121 -8.829 5.019 1.00 0.53 H new ATOM 113 N ASN A 8 -9.321 -9.820 5.376 1.00 0.33 N ATOM 114 CA ASN A 8 -7.964 -10.323 5.307 1.00 0.39 C ATOM 115 C ASN A 8 -7.137 -9.503 4.354 1.00 0.39 C ATOM 116 O ASN A 8 -7.281 -9.594 3.136 1.00 0.48 O ATOM 117 CB ASN A 8 -7.909 -11.802 4.933 1.00 0.44 C ATOM 118 CG ASN A 8 -8.250 -12.679 6.115 1.00 0.70 C ATOM 119 OD1 ASN A 8 -9.394 -13.102 6.284 1.00 1.25 O ATOM 120 ND2 ASN A 8 -7.261 -12.928 6.960 1.00 1.47 N ATOM 0 H ASN A 8 -9.908 -10.060 4.577 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.541 -10.231 6.307 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.605 -12.000 4.118 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -6.912 -12.051 4.568 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -7.431 -13.492 7.793 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.329 -12.556 6.778 1.00 1.47 H new ATOM 127 N VAL A 9 -6.294 -8.684 4.922 1.00 0.42 N ATOM 128 CA VAL A 9 -5.363 -7.907 4.153 1.00 0.45 C ATOM 129 C VAL A 9 -3.983 -8.549 4.263 1.00 0.50 C ATOM 130 O VAL A 9 -3.332 -8.496 5.308 1.00 0.60 O ATOM 131 CB VAL A 9 -5.363 -6.442 4.634 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.113 -6.356 6.137 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.355 -5.626 3.849 1.00 1.01 C ATOM 0 H VAL A 9 -6.234 -8.537 5.930 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.655 -7.894 3.103 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.350 -6.019 4.449 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.118 -5.311 6.448 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.897 -6.896 6.668 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.145 -6.799 6.371 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.368 -4.595 4.201 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.359 -6.045 3.990 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.612 -5.651 2.790 1.00 1.01 H new ATOM 143 N VAL A 10 -3.570 -9.225 3.207 1.00 0.52 N ATOM 144 CA VAL A 10 -2.350 -10.004 3.259 1.00 0.61 C ATOM 145 C VAL A 10 -1.292 -9.426 2.326 1.00 0.47 C ATOM 146 O VAL A 10 -1.609 -8.845 1.284 1.00 0.48 O ATOM 147 CB VAL A 10 -2.632 -11.498 2.948 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.004 -11.953 1.638 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.162 -12.366 4.103 1.00 1.24 C ATOM 0 H VAL A 10 -4.057 -9.250 2.311 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.955 -9.949 4.274 1.00 0.61 H new ATOM 0 HB VAL A 10 -3.710 -11.608 2.829 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.233 -13.005 1.471 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.405 -11.359 0.817 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.923 -11.820 1.687 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.364 -13.413 3.877 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -1.091 -12.226 4.251 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -2.694 -12.082 5.011 1.00 1.24 H new ATOM 159 N VAL A 11 -0.037 -9.574 2.720 1.00 0.44 N ATOM 160 CA VAL A 11 1.071 -9.012 1.975 1.00 0.39 C ATOM 161 C VAL A 11 1.957 -10.115 1.425 1.00 0.41 C ATOM 162 O VAL A 11 2.598 -10.848 2.182 1.00 0.52 O ATOM 163 CB VAL A 11 1.929 -8.079 2.855 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.040 -7.437 2.039 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.064 -7.016 3.508 1.00 0.91 C ATOM 0 H VAL A 11 0.238 -10.084 3.560 1.00 0.44 H new ATOM 0 HA VAL A 11 0.646 -8.433 1.155 1.00 0.39 H new ATOM 0 HB VAL A 11 2.388 -8.680 3.640 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.632 -6.784 2.680 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.681 -8.214 1.622 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.605 -6.852 1.228 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.687 -6.368 4.124 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.574 -6.422 2.737 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.309 -7.494 4.132 1.00 0.91 H new ATOM 175 N LEU A 12 1.972 -10.241 0.113 1.00 0.40 N ATOM 176 CA LEU A 12 2.868 -11.162 -0.550 1.00 0.45 C ATOM 177 C LEU A 12 4.080 -10.380 -1.009 1.00 0.57 C ATOM 178 O LEU A 12 4.177 -9.189 -0.720 1.00 1.18 O ATOM 179 CB LEU A 12 2.190 -11.846 -1.743 1.00 0.50 C ATOM 180 CG LEU A 12 0.854 -12.531 -1.443 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.295 -11.541 -1.545 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.636 -13.704 -2.382 1.00 1.16 C ATOM 0 H LEU A 12 1.369 -9.712 -0.517 1.00 0.40 H new ATOM 0 HA LEU A 12 3.159 -11.950 0.144 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.029 -11.101 -2.522 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.875 -12.589 -2.150 1.00 0.50 H new ATOM 0 HG LEU A 12 0.885 -12.909 -0.421 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.234 -12.050 -1.328 1.00 0.92 H new ATOM 0 HD12 LEU A 12 -0.145 -10.734 -0.827 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.331 -11.128 -2.553 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.318 -14.179 -2.155 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.628 -13.349 -3.412 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.441 -14.427 -2.254 1.00 1.16 H new ATOM 194 N ASP A 13 5.009 -11.048 -1.687 1.00 0.84 N ATOM 195 CA ASP A 13 6.227 -10.402 -2.195 1.00 1.01 C ATOM 196 C ASP A 13 7.198 -10.090 -1.058 1.00 0.85 C ATOM 197 O ASP A 13 8.380 -9.903 -1.271 1.00 1.01 O ATOM 198 CB ASP A 13 5.877 -9.145 -3.028 1.00 1.29 C ATOM 199 CG ASP A 13 6.687 -7.903 -2.676 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.901 -7.876 -2.949 1.00 2.73 O ATOM 201 OD2 ASP A 13 6.101 -6.930 -2.157 1.00 2.57 O ATOM 0 H ASP A 13 4.945 -12.043 -1.901 1.00 0.84 H new ATOM 0 HA ASP A 13 6.734 -11.099 -2.862 1.00 1.01 H new ATOM 0 HB2 ASP A 13 6.026 -9.372 -4.084 1.00 1.29 H new ATOM 0 HB3 ASP A 13 4.818 -8.921 -2.896 1.00 1.29 H new ATOM 206 N ASN A 14 6.710 -10.121 0.156 1.00 0.68 N ATOM 207 CA ASN A 14 7.535 -9.812 1.313 1.00 0.63 C ATOM 208 C ASN A 14 8.294 -11.049 1.788 1.00 0.57 C ATOM 209 O ASN A 14 7.683 -12.079 2.081 1.00 0.67 O ATOM 210 CB ASN A 14 6.645 -9.298 2.442 1.00 0.78 C ATOM 211 CG ASN A 14 7.402 -9.074 3.734 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.544 -8.621 3.734 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.772 -9.419 4.843 1.00 1.40 N ATOM 0 H ASN A 14 5.743 -10.357 0.377 1.00 0.68 H new ATOM 0 HA ASN A 14 8.261 -9.050 1.030 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.179 -8.362 2.133 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.840 -10.012 2.617 1.00 0.78 H new ATOM 0 HD21 ASN A 14 7.234 -9.313 5.746 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.823 -9.791 4.796 1.00 1.40 H new ATOM 220 N PRO A 15 9.637 -10.972 1.874 1.00 0.51 N ATOM 221 CA PRO A 15 10.436 -9.845 1.398 1.00 0.45 C ATOM 222 C PRO A 15 11.070 -10.104 0.023 1.00 0.44 C ATOM 223 O PRO A 15 11.509 -11.220 -0.267 1.00 0.48 O ATOM 224 CB PRO A 15 11.533 -9.748 2.464 1.00 0.48 C ATOM 225 CG PRO A 15 11.540 -11.074 3.182 1.00 0.57 C ATOM 226 CD PRO A 15 10.500 -11.951 2.525 1.00 0.60 C ATOM 0 HA PRO A 15 9.838 -8.943 1.268 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.502 -9.547 2.008 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.331 -8.931 3.157 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.525 -11.537 3.123 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.315 -10.939 4.240 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.944 -12.642 1.809 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.956 -12.553 3.253 1.00 0.60 H new ATOM 234 N SER A 16 11.142 -9.072 -0.812 1.00 0.42 N ATOM 235 CA SER A 16 11.687 -9.223 -2.170 1.00 0.47 C ATOM 236 C SER A 16 12.293 -7.916 -2.676 1.00 0.45 C ATOM 237 O SER A 16 12.031 -6.853 -2.121 1.00 0.43 O ATOM 238 CB SER A 16 10.602 -9.697 -3.151 1.00 0.59 C ATOM 239 OG SER A 16 10.121 -10.982 -2.804 1.00 0.77 O ATOM 0 H SER A 16 10.834 -8.127 -0.581 1.00 0.42 H new ATOM 0 HA SER A 16 12.473 -9.976 -2.116 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.776 -8.986 -3.154 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.008 -9.719 -4.162 1.00 0.59 H new ATOM 0 HG SER A 16 9.557 -10.916 -2.005 1.00 0.77 H new ATOM 245 N PRO A 17 13.128 -7.992 -3.733 1.00 0.52 N ATOM 246 CA PRO A 17 13.762 -6.813 -4.343 1.00 0.52 C ATOM 247 C PRO A 17 12.769 -5.705 -4.707 1.00 0.48 C ATOM 248 O PRO A 17 11.624 -5.966 -5.079 1.00 0.58 O ATOM 249 CB PRO A 17 14.407 -7.374 -5.608 1.00 0.60 C ATOM 250 CG PRO A 17 14.667 -8.804 -5.299 1.00 0.83 C ATOM 251 CD PRO A 17 13.544 -9.243 -4.403 1.00 0.63 C ATOM 0 HA PRO A 17 14.459 -6.340 -3.651 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.747 -7.269 -6.469 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.330 -6.847 -5.848 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.696 -9.401 -6.210 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.631 -8.928 -4.806 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.726 -9.685 -4.972 1.00 0.63 H new ATOM 0 HD3 PRO A 17 13.874 -9.993 -3.684 1.00 0.63 H new ATOM 259 N PHE A 18 13.245 -4.469 -4.615 1.00 0.41 N ATOM 260 CA PHE A 18 12.424 -3.281 -4.834 1.00 0.37 C ATOM 261 C PHE A 18 11.823 -3.216 -6.243 1.00 0.36 C ATOM 262 O PHE A 18 10.716 -2.709 -6.418 1.00 0.37 O ATOM 263 CB PHE A 18 13.267 -2.030 -4.556 1.00 0.38 C ATOM 264 CG PHE A 18 12.739 -0.772 -5.186 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.724 -0.044 -4.588 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.265 -0.322 -6.384 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.244 1.108 -5.180 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.794 0.828 -6.978 1.00 0.36 C ATOM 269 CZ PHE A 18 11.781 1.546 -6.376 1.00 0.37 C ATOM 0 H PHE A 18 14.217 -4.260 -4.385 1.00 0.41 H new ATOM 0 HA PHE A 18 11.581 -3.333 -4.145 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.331 -1.882 -3.478 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.281 -2.203 -4.915 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.304 -0.380 -3.651 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.057 -0.881 -6.861 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.449 1.667 -4.708 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.216 1.167 -7.912 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.409 2.448 -6.838 1.00 0.37 H new ATOM 279 N TYR A 19 12.538 -3.726 -7.244 1.00 0.38 N ATOM 280 CA TYR A 19 12.082 -3.617 -8.631 1.00 0.41 C ATOM 281 C TYR A 19 10.950 -4.589 -8.950 1.00 0.44 C ATOM 282 O TYR A 19 10.445 -4.611 -10.073 1.00 0.52 O ATOM 283 CB TYR A 19 13.236 -3.823 -9.612 1.00 0.45 C ATOM 284 CG TYR A 19 14.098 -2.596 -9.799 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.640 -1.509 -10.535 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.366 -2.523 -9.244 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.424 -0.386 -10.713 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.157 -1.403 -9.418 1.00 0.64 C ATOM 289 CZ TYR A 19 15.682 -0.339 -10.152 1.00 0.57 C ATOM 290 OH TYR A 19 16.470 0.777 -10.326 1.00 0.65 O ATOM 0 H TYR A 19 13.426 -4.214 -7.125 1.00 0.38 H new ATOM 0 HA TYR A 19 11.694 -2.605 -8.746 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.860 -4.644 -9.259 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.831 -4.123 -10.579 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.654 -1.543 -10.975 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.742 -3.355 -8.666 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.054 0.450 -11.288 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.143 -1.362 -8.980 1.00 0.64 H new ATOM 0 HH TYR A 19 17.325 0.648 -9.866 1.00 0.65 H new ATOM 300 N ASN A 20 10.548 -5.382 -7.972 1.00 0.44 N ATOM 301 CA ASN A 20 9.420 -6.281 -8.150 1.00 0.48 C ATOM 302 C ASN A 20 8.155 -5.592 -7.623 1.00 0.42 C ATOM 303 O ASN A 20 8.233 -4.768 -6.715 1.00 0.52 O ATOM 304 CB ASN A 20 9.702 -7.622 -7.446 1.00 0.61 C ATOM 305 CG ASN A 20 8.821 -7.885 -6.244 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.775 -8.525 -6.355 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.246 -7.409 -5.091 1.00 0.69 N ATOM 0 H ASN A 20 10.983 -5.422 -7.050 1.00 0.44 H new ATOM 0 HA ASN A 20 9.266 -6.507 -9.205 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.571 -8.432 -8.164 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.745 -7.642 -7.130 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.702 -7.566 -4.243 1.00 0.69 H new ATOM 0 HD22 ASN A 20 10.119 -6.884 -5.047 1.00 0.69 H new ATOM 314 N PRO A 21 6.987 -5.869 -8.213 1.00 0.41 N ATOM 315 CA PRO A 21 5.739 -5.175 -7.862 1.00 0.38 C ATOM 316 C PRO A 21 5.278 -5.443 -6.428 1.00 0.35 C ATOM 317 O PRO A 21 5.415 -6.555 -5.923 1.00 0.42 O ATOM 318 CB PRO A 21 4.713 -5.739 -8.855 1.00 0.44 C ATOM 319 CG PRO A 21 5.515 -6.402 -9.924 1.00 0.62 C ATOM 320 CD PRO A 21 6.778 -6.870 -9.265 1.00 0.57 C ATOM 0 HA PRO A 21 5.868 -4.094 -7.917 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.045 -6.449 -8.368 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.089 -4.946 -9.267 1.00 0.44 H new ATOM 0 HG2 PRO A 21 4.969 -7.239 -10.359 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.733 -5.708 -10.735 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.671 -7.873 -8.853 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.612 -6.900 -9.966 1.00 0.57 H new ATOM 328 N PHE A 22 4.751 -4.407 -5.774 1.00 0.33 N ATOM 329 CA PHE A 22 4.092 -4.570 -4.483 1.00 0.34 C ATOM 330 C PHE A 22 2.890 -5.486 -4.649 1.00 0.33 C ATOM 331 O PHE A 22 1.940 -5.150 -5.358 1.00 0.41 O ATOM 332 CB PHE A 22 3.637 -3.217 -3.920 1.00 0.37 C ATOM 333 CG PHE A 22 4.717 -2.431 -3.225 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.035 -2.691 -1.899 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.406 -1.429 -3.890 1.00 0.49 C ATOM 336 CE1 PHE A 22 6.019 -1.970 -1.254 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.391 -0.705 -3.247 1.00 0.57 C ATOM 338 CZ PHE A 22 6.699 -0.976 -1.929 1.00 0.58 C ATOM 0 H PHE A 22 4.769 -3.447 -6.119 1.00 0.33 H new ATOM 0 HA PHE A 22 4.802 -5.007 -3.781 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.236 -2.615 -4.736 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.821 -3.387 -3.218 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.506 -3.467 -1.366 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.170 -1.212 -4.921 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.257 -2.183 -0.222 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.921 0.074 -3.776 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.471 -0.411 -1.427 1.00 0.58 H new ATOM 348 N GLN A 23 2.944 -6.640 -4.015 1.00 0.31 N ATOM 349 CA GLN A 23 1.930 -7.658 -4.207 1.00 0.34 C ATOM 350 C GLN A 23 1.081 -7.841 -2.953 1.00 0.33 C ATOM 351 O GLN A 23 1.494 -8.485 -1.994 1.00 0.38 O ATOM 352 CB GLN A 23 2.606 -8.967 -4.607 1.00 0.45 C ATOM 353 CG GLN A 23 1.659 -10.134 -4.802 1.00 0.97 C ATOM 354 CD GLN A 23 2.342 -11.309 -5.463 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.636 -11.440 -5.233 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 1.713 -12.088 -6.181 1.00 1.13 N flip ATOM 0 H GLN A 23 3.682 -6.897 -3.360 1.00 0.31 H new ATOM 0 HA GLN A 23 1.256 -7.342 -5.003 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.159 -8.807 -5.533 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.335 -9.232 -3.842 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.259 -10.443 -3.836 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.812 -9.817 -5.411 1.00 0.97 H new ATOM 0 HE21 GLN A 23 0.714 -11.949 -6.331 1.00 1.13 H new ATOM 0 HE22 GLN A 23 2.192 -12.872 -6.625 1.00 1.13 H new ATOM 365 N PHE A 24 -0.106 -7.262 -2.968 1.00 0.31 N ATOM 366 CA PHE A 24 -1.021 -7.369 -1.844 1.00 0.33 C ATOM 367 C PHE A 24 -2.225 -8.210 -2.225 1.00 0.36 C ATOM 368 O PHE A 24 -2.648 -8.210 -3.377 1.00 0.50 O ATOM 369 CB PHE A 24 -1.499 -5.987 -1.399 1.00 0.31 C ATOM 370 CG PHE A 24 -0.409 -5.084 -0.901 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.015 -5.124 0.424 1.00 0.31 C ATOM 372 CD2 PHE A 24 0.206 -4.184 -1.753 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.973 -4.279 0.894 1.00 0.31 C ATOM 374 CE2 PHE A 24 1.198 -3.339 -1.292 1.00 0.32 C ATOM 375 CZ PHE A 24 1.582 -3.385 0.033 1.00 0.30 C ATOM 0 H PHE A 24 -0.461 -6.710 -3.749 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.486 -7.844 -1.021 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.001 -5.503 -2.237 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.241 -6.109 -0.610 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.485 -5.824 1.100 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.092 -4.141 -2.790 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.269 -4.317 1.932 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.672 -2.643 -1.968 1.00 0.32 H new ATOM 0 HZ PHE A 24 2.356 -2.725 0.396 1.00 0.30 H new ATOM 385 N GLU A 25 -2.779 -8.917 -1.262 1.00 0.31 N ATOM 386 CA GLU A 25 -3.996 -9.669 -1.489 1.00 0.34 C ATOM 387 C GLU A 25 -5.084 -9.115 -0.594 1.00 0.32 C ATOM 388 O GLU A 25 -5.138 -9.399 0.605 1.00 0.35 O ATOM 389 CB GLU A 25 -3.794 -11.164 -1.238 1.00 0.43 C ATOM 390 CG GLU A 25 -5.018 -12.001 -1.567 1.00 0.97 C ATOM 391 CD GLU A 25 -4.807 -13.473 -1.294 1.00 1.43 C ATOM 392 OE1 GLU A 25 -5.034 -13.905 -0.146 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.421 -14.206 -2.229 1.00 1.98 O ATOM 0 H GLU A 25 -2.406 -8.987 -0.315 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.287 -9.563 -2.534 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.952 -11.515 -1.835 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.529 -11.317 -0.192 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.865 -11.645 -0.981 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -5.276 -11.863 -2.617 1.00 0.97 H new ATOM 400 N ILE A 26 -5.918 -8.284 -1.179 1.00 0.30 N ATOM 401 CA ILE A 26 -6.955 -7.594 -0.442 1.00 0.30 C ATOM 402 C ILE A 26 -8.253 -8.393 -0.451 1.00 0.29 C ATOM 403 O ILE A 26 -8.946 -8.471 -1.468 1.00 0.32 O ATOM 404 CB ILE A 26 -7.202 -6.193 -1.041 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.890 -5.405 -1.097 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.247 -5.435 -0.230 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.971 -4.149 -1.937 1.00 0.29 C ATOM 0 H ILE A 26 -5.897 -8.068 -2.176 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.618 -7.487 0.589 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.582 -6.313 -2.055 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.595 -5.135 -0.083 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.106 -6.049 -1.496 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.405 -4.450 -0.670 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.185 -5.990 -0.236 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.899 -5.322 0.797 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -5.005 -3.644 -1.930 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.235 -4.413 -2.961 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.731 -3.485 -1.526 1.00 0.29 H new ATOM 419 N THR A 27 -8.563 -9.014 0.676 1.00 0.31 N ATOM 420 CA THR A 27 -9.824 -9.706 0.831 1.00 0.30 C ATOM 421 C THR A 27 -10.802 -8.816 1.588 1.00 0.27 C ATOM 422 O THR A 27 -10.693 -8.646 2.807 1.00 0.29 O ATOM 423 CB THR A 27 -9.634 -11.033 1.591 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.507 -11.741 1.055 1.00 0.46 O ATOM 425 CG2 THR A 27 -10.875 -11.905 1.492 1.00 0.34 C ATOM 0 H THR A 27 -7.956 -9.051 1.495 1.00 0.31 H new ATOM 0 HA THR A 27 -10.220 -9.932 -0.159 1.00 0.30 H new ATOM 0 HB THR A 27 -9.460 -10.801 2.642 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.388 -12.583 1.542 1.00 0.46 H new ATOM 0 HG21 THR A 27 -10.711 -12.834 2.038 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.726 -11.377 1.922 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.079 -12.130 0.445 1.00 0.34 H new ATOM 433 N PHE A 28 -11.758 -8.255 0.862 1.00 0.23 N ATOM 434 CA PHE A 28 -12.715 -7.331 1.434 1.00 0.22 C ATOM 435 C PHE A 28 -14.121 -7.851 1.221 1.00 0.21 C ATOM 436 O PHE A 28 -14.457 -8.348 0.150 1.00 0.20 O ATOM 437 CB PHE A 28 -12.557 -5.936 0.814 1.00 0.21 C ATOM 438 CG PHE A 28 -12.914 -5.859 -0.645 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.015 -6.279 -1.611 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.148 -5.376 -1.050 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.337 -6.217 -2.951 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.476 -5.314 -2.391 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.577 -5.700 -3.339 1.00 0.28 C ATOM 0 H PHE A 28 -11.888 -8.429 -0.135 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.527 -7.248 2.505 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.182 -5.234 1.366 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.524 -5.611 0.940 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.050 -6.660 -1.312 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.861 -5.044 -0.310 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.636 -6.565 -3.695 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.451 -4.957 -2.689 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.821 -5.607 -4.387 1.00 0.28 H new ATOM 453 N GLU A 29 -14.935 -7.749 2.242 1.00 0.22 N ATOM 454 CA GLU A 29 -16.290 -8.239 2.162 1.00 0.23 C ATOM 455 C GLU A 29 -17.256 -7.078 2.043 1.00 0.25 C ATOM 456 O GLU A 29 -17.314 -6.210 2.915 1.00 0.29 O ATOM 457 CB GLU A 29 -16.618 -9.089 3.385 1.00 0.26 C ATOM 458 CG GLU A 29 -17.962 -9.793 3.303 1.00 0.33 C ATOM 459 CD GLU A 29 -18.202 -10.700 4.486 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.424 -11.658 4.678 1.00 0.67 O ATOM 461 OE2 GLU A 29 -19.171 -10.464 5.235 1.00 0.77 O ATOM 0 H GLU A 29 -14.684 -7.331 3.138 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.388 -8.864 1.274 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.835 -9.836 3.517 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.605 -8.454 4.271 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.757 -9.050 3.250 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.009 -10.377 2.384 1.00 0.33 H new ATOM 468 N CYS A 30 -17.984 -7.052 0.947 1.00 0.24 N ATOM 469 CA CYS A 30 -19.000 -6.049 0.744 1.00 0.28 C ATOM 470 C CYS A 30 -20.208 -6.384 1.600 1.00 0.33 C ATOM 471 O CYS A 30 -20.891 -7.379 1.361 1.00 0.35 O ATOM 472 CB CYS A 30 -19.399 -5.978 -0.729 1.00 0.29 C ATOM 473 SG CYS A 30 -18.012 -5.722 -1.858 1.00 0.51 S ATOM 0 H CYS A 30 -17.888 -7.719 0.181 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.605 -5.075 1.034 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.909 -6.902 -1.001 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.116 -5.167 -0.861 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.361 -6.072 -3.060 1.00 0.51 H new ATOM 479 N ILE A 31 -20.444 -5.567 2.612 1.00 0.39 N ATOM 480 CA ILE A 31 -21.553 -5.778 3.524 1.00 0.45 C ATOM 481 C ILE A 31 -22.848 -5.427 2.810 1.00 0.48 C ATOM 482 O ILE A 31 -23.927 -5.922 3.147 1.00 0.53 O ATOM 483 CB ILE A 31 -21.391 -4.919 4.799 1.00 0.49 C ATOM 484 CG1 ILE A 31 -19.980 -5.101 5.377 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.444 -5.289 5.838 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.676 -4.192 6.550 1.00 0.52 C ATOM 0 H ILE A 31 -19.877 -4.746 2.823 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.572 -6.824 3.831 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.532 -3.871 4.533 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.858 -6.137 5.692 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.249 -4.919 4.589 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.311 -4.672 6.727 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.438 -5.120 5.425 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.337 -6.340 6.107 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.662 -4.380 6.903 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.765 -3.152 6.237 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.383 -4.390 7.356 1.00 0.52 H new ATOM 498 N GLU A 32 -22.712 -4.585 1.797 1.00 0.49 N ATOM 499 CA GLU A 32 -23.818 -4.204 0.942 1.00 0.53 C ATOM 500 C GLU A 32 -23.357 -4.170 -0.508 1.00 0.52 C ATOM 501 O GLU A 32 -22.156 -4.179 -0.784 1.00 0.51 O ATOM 502 CB GLU A 32 -24.383 -2.839 1.345 1.00 0.60 C ATOM 503 CG GLU A 32 -25.092 -2.840 2.688 1.00 0.84 C ATOM 504 CD GLU A 32 -25.719 -1.503 3.019 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.876 -1.263 2.617 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.063 -0.681 3.690 1.00 1.83 O ATOM 0 H GLU A 32 -21.826 -4.147 1.546 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.611 -4.944 1.055 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.569 -2.114 1.375 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.080 -2.504 0.577 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.865 -3.608 2.685 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.380 -3.106 3.470 1.00 0.84 H new ATOM 513 N ASP A 33 -24.312 -4.145 -1.419 1.00 0.62 N ATOM 514 CA ASP A 33 -24.019 -4.105 -2.847 1.00 0.65 C ATOM 515 C ASP A 33 -23.678 -2.674 -3.247 1.00 0.65 C ATOM 516 O ASP A 33 -24.408 -1.746 -2.893 1.00 0.79 O ATOM 517 CB ASP A 33 -25.238 -4.602 -3.631 1.00 0.76 C ATOM 518 CG ASP A 33 -24.879 -5.187 -4.978 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.815 -4.429 -5.967 1.00 2.01 O ATOM 520 OD2 ASP A 33 -24.668 -6.417 -5.050 1.00 2.18 O ATOM 0 H ASP A 33 -25.307 -4.152 -1.196 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.170 -4.750 -3.072 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.759 -5.356 -3.041 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.932 -3.774 -3.775 1.00 0.76 H new ATOM 525 N LEU A 34 -22.581 -2.473 -3.974 1.00 0.57 N ATOM 526 CA LEU A 34 -22.136 -1.116 -4.264 1.00 0.57 C ATOM 527 C LEU A 34 -22.565 -0.694 -5.658 1.00 0.64 C ATOM 528 O LEU A 34 -22.421 -1.450 -6.616 1.00 0.71 O ATOM 529 CB LEU A 34 -20.618 -0.974 -4.120 1.00 0.55 C ATOM 530 CG LEU A 34 -20.035 -1.367 -2.757 1.00 0.81 C ATOM 531 CD1 LEU A 34 -18.654 -0.756 -2.585 1.00 1.52 C ATOM 532 CD2 LEU A 34 -20.955 -0.951 -1.619 1.00 1.41 C ATOM 0 H LEU A 34 -21.998 -3.213 -4.364 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.608 -0.460 -3.533 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.141 -1.584 -4.887 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.348 0.062 -4.324 1.00 0.55 H new ATOM 0 HG LEU A 34 -19.946 -2.453 -2.725 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.248 -1.041 -1.614 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -17.995 -1.118 -3.374 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -18.727 0.330 -2.643 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -20.512 -1.244 -0.667 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -21.091 0.130 -1.638 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -21.922 -1.440 -1.735 1.00 1.41 H new ATOM 544 N SER A 35 -23.094 0.513 -5.760 1.00 0.75 N ATOM 545 CA SER A 35 -23.573 1.030 -7.028 1.00 0.89 C ATOM 546 C SER A 35 -22.477 1.807 -7.750 1.00 0.75 C ATOM 547 O SER A 35 -22.412 1.815 -8.977 1.00 0.92 O ATOM 548 CB SER A 35 -24.781 1.930 -6.783 1.00 1.14 C ATOM 549 OG SER A 35 -25.740 1.271 -5.971 1.00 1.55 O ATOM 0 H SER A 35 -23.203 1.155 -4.975 1.00 0.75 H new ATOM 0 HA SER A 35 -23.863 0.192 -7.661 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.461 2.853 -6.300 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.233 2.208 -7.735 1.00 1.14 H new ATOM 0 HG SER A 35 -26.506 1.864 -5.823 1.00 1.55 H new ATOM 555 N GLU A 36 -21.609 2.450 -6.980 1.00 0.61 N ATOM 556 CA GLU A 36 -20.548 3.276 -7.542 1.00 0.51 C ATOM 557 C GLU A 36 -19.267 2.466 -7.708 1.00 0.44 C ATOM 558 O GLU A 36 -19.218 1.287 -7.346 1.00 0.53 O ATOM 559 CB GLU A 36 -20.293 4.485 -6.636 1.00 0.63 C ATOM 560 CG GLU A 36 -21.501 5.395 -6.466 1.00 1.48 C ATOM 561 CD GLU A 36 -21.907 6.075 -7.756 1.00 2.16 C ATOM 562 OE1 GLU A 36 -21.231 7.044 -8.157 1.00 2.95 O ATOM 563 OE2 GLU A 36 -22.904 5.650 -8.379 1.00 2.46 O ATOM 0 H GLU A 36 -21.619 2.415 -5.961 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.863 3.626 -8.525 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -19.976 4.131 -5.655 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.468 5.066 -7.047 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -22.340 4.811 -6.088 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -21.277 6.153 -5.716 1.00 1.48 H new ATOM 570 N ASP A 37 -18.234 3.097 -8.254 1.00 0.37 N ATOM 571 CA ASP A 37 -16.945 2.439 -8.421 1.00 0.36 C ATOM 572 C ASP A 37 -16.244 2.342 -7.083 1.00 0.35 C ATOM 573 O ASP A 37 -16.283 3.283 -6.285 1.00 0.50 O ATOM 574 CB ASP A 37 -16.024 3.200 -9.384 1.00 0.49 C ATOM 575 CG ASP A 37 -16.546 3.289 -10.799 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.863 2.229 -11.382 1.00 1.88 O ATOM 577 OD2 ASP A 37 -16.658 4.412 -11.331 1.00 1.30 O ATOM 0 H ASP A 37 -18.264 4.060 -8.587 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.145 1.451 -8.836 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.870 4.209 -9.001 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -15.049 2.713 -9.398 1.00 0.49 H new ATOM 582 N LEU A 38 -15.617 1.211 -6.825 1.00 0.30 N ATOM 583 CA LEU A 38 -14.802 1.074 -5.640 1.00 0.31 C ATOM 584 C LEU A 38 -13.352 1.371 -5.996 1.00 0.28 C ATOM 585 O LEU A 38 -12.759 0.683 -6.831 1.00 0.29 O ATOM 586 CB LEU A 38 -14.941 -0.328 -5.056 1.00 0.39 C ATOM 587 CG LEU A 38 -14.464 -0.463 -3.614 1.00 0.42 C ATOM 588 CD1 LEU A 38 -15.169 0.558 -2.733 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.717 -1.870 -3.101 1.00 1.32 C ATOM 0 H LEU A 38 -15.657 0.381 -7.417 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.137 1.783 -4.883 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.988 -0.628 -5.109 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.379 -1.024 -5.678 1.00 0.39 H new ATOM 0 HG LEU A 38 -13.391 -0.273 -3.581 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.821 0.453 -1.705 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.946 1.563 -3.091 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -16.245 0.390 -2.771 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.371 -1.949 -2.071 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.785 -2.086 -3.143 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.177 -2.586 -3.721 1.00 1.32 H new ATOM 601 N GLU A 39 -12.793 2.399 -5.375 1.00 0.30 N ATOM 602 CA GLU A 39 -11.457 2.863 -5.717 1.00 0.32 C ATOM 603 C GLU A 39 -10.426 2.335 -4.732 1.00 0.31 C ATOM 604 O GLU A 39 -10.528 2.574 -3.533 1.00 0.43 O ATOM 605 CB GLU A 39 -11.420 4.392 -5.719 1.00 0.42 C ATOM 606 CG GLU A 39 -10.134 4.970 -6.280 1.00 0.50 C ATOM 607 CD GLU A 39 -9.990 6.447 -5.988 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.684 7.249 -6.643 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.193 6.818 -5.103 1.00 0.73 O ATOM 0 H GLU A 39 -13.245 2.929 -4.630 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.214 2.487 -6.711 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -12.261 4.766 -6.303 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.555 4.751 -4.699 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.284 4.434 -5.858 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -10.107 4.811 -7.358 1.00 0.50 H new ATOM 616 N TRP A 40 -9.450 1.605 -5.238 1.00 0.24 N ATOM 617 CA TRP A 40 -8.346 1.133 -4.419 1.00 0.23 C ATOM 618 C TRP A 40 -7.050 1.812 -4.846 1.00 0.24 C ATOM 619 O TRP A 40 -6.546 1.562 -5.936 1.00 0.28 O ATOM 620 CB TRP A 40 -8.206 -0.386 -4.545 1.00 0.24 C ATOM 621 CG TRP A 40 -9.419 -1.137 -4.088 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.479 -1.538 -4.854 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.701 -1.570 -2.755 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.397 -2.198 -4.076 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.942 -2.230 -2.784 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.019 -1.468 -1.540 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.520 -2.778 -1.643 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.595 -2.013 -0.408 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.834 -2.663 -0.468 1.00 0.40 C ATOM 0 H TRP A 40 -9.398 1.324 -6.217 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.551 1.383 -3.378 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.002 -0.639 -5.585 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.345 -0.713 -3.963 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.579 -1.361 -5.915 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.275 -2.599 -4.406 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.061 -0.973 -1.486 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.477 -3.277 -1.685 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -9.081 -1.936 0.539 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.256 -3.082 0.434 1.00 0.40 H new ATOM 640 N LYS A 41 -6.525 2.682 -4.000 1.00 0.25 N ATOM 641 CA LYS A 41 -5.272 3.365 -4.294 1.00 0.25 C ATOM 642 C LYS A 41 -4.140 2.849 -3.422 1.00 0.23 C ATOM 643 O LYS A 41 -4.310 2.642 -2.221 1.00 0.27 O ATOM 644 CB LYS A 41 -5.394 4.877 -4.077 1.00 0.37 C ATOM 645 CG LYS A 41 -5.879 5.659 -5.287 1.00 0.63 C ATOM 646 CD LYS A 41 -5.594 7.142 -5.113 1.00 0.65 C ATOM 647 CE LYS A 41 -6.237 7.982 -6.200 1.00 1.03 C ATOM 648 NZ LYS A 41 -7.478 8.651 -5.725 1.00 1.23 N ATOM 0 H LYS A 41 -6.944 2.933 -3.105 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.050 3.161 -5.342 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.079 5.057 -3.248 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.421 5.266 -3.777 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.385 5.291 -6.187 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.949 5.502 -5.424 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.960 7.469 -4.140 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.516 7.306 -5.119 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.528 8.735 -6.544 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.471 7.350 -7.057 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -8.002 9.030 -6.540 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -8.073 7.962 -5.221 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -7.228 9.429 -5.082 1.00 1.23 H new ATOM 662 N ILE A 42 -2.981 2.647 -4.030 1.00 0.22 N ATOM 663 CA ILE A 42 -1.771 2.398 -3.270 1.00 0.24 C ATOM 664 C ILE A 42 -0.898 3.641 -3.287 1.00 0.25 C ATOM 665 O ILE A 42 -0.267 3.962 -4.296 1.00 0.31 O ATOM 666 CB ILE A 42 -0.954 1.189 -3.787 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.723 -0.118 -3.569 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.406 1.130 -3.098 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.860 -1.359 -3.689 1.00 0.46 C ATOM 0 H ILE A 42 -2.855 2.651 -5.042 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.084 2.154 -2.255 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.794 1.317 -4.858 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.182 -0.099 -2.580 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.534 -0.178 -4.295 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.967 0.274 -3.473 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.959 2.046 -3.306 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.265 1.028 -2.022 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.472 -2.245 -3.523 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.422 -1.403 -4.686 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.065 -1.322 -2.945 1.00 0.46 H new ATOM 681 N ILE A 43 -0.896 4.351 -2.178 1.00 0.24 N ATOM 682 CA ILE A 43 -0.089 5.543 -2.040 1.00 0.27 C ATOM 683 C ILE A 43 1.191 5.207 -1.295 1.00 0.26 C ATOM 684 O ILE A 43 1.173 4.910 -0.102 1.00 0.30 O ATOM 685 CB ILE A 43 -0.846 6.667 -1.301 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.136 7.018 -2.047 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.041 7.898 -1.154 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.958 8.095 -1.373 1.00 0.69 C ATOM 0 H ILE A 43 -1.450 4.120 -1.353 1.00 0.24 H new ATOM 0 HA ILE A 43 0.146 5.906 -3.040 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.109 6.313 -0.304 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.884 7.345 -3.056 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.744 6.119 -2.146 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.508 8.681 -0.631 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.933 7.638 -0.585 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.332 8.256 -2.141 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.856 8.289 -1.960 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.242 7.764 -0.374 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.369 9.009 -1.298 1.00 0.69 H new ATOM 700 N TYR A 44 2.295 5.224 -2.008 1.00 0.29 N ATOM 701 CA TYR A 44 3.574 4.901 -1.422 1.00 0.29 C ATOM 702 C TYR A 44 4.269 6.174 -0.965 1.00 0.28 C ATOM 703 O TYR A 44 4.335 7.157 -1.710 1.00 0.33 O ATOM 704 CB TYR A 44 4.443 4.144 -2.429 1.00 0.32 C ATOM 705 CG TYR A 44 5.785 3.720 -1.870 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.895 2.638 -1.006 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.943 4.405 -2.212 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.123 2.253 -0.497 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.173 4.027 -1.707 1.00 0.45 C ATOM 710 CZ TYR A 44 8.245 2.929 -0.834 1.00 0.49 C ATOM 711 OH TYR A 44 9.484 2.578 -0.347 1.00 0.59 O ATOM 0 H TYR A 44 2.331 5.460 -3.000 1.00 0.29 H new ATOM 0 HA TYR A 44 3.417 4.258 -0.556 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.904 3.260 -2.769 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.605 4.774 -3.303 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.008 2.088 -0.727 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.882 5.248 -2.884 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.186 1.408 0.173 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.067 4.569 -1.980 1.00 0.45 H new ATOM 0 HH TYR A 44 10.162 3.186 -0.709 1.00 0.59 H new ATOM 721 N VAL A 45 4.756 6.163 0.268 1.00 0.27 N ATOM 722 CA VAL A 45 5.513 7.284 0.798 1.00 0.28 C ATOM 723 C VAL A 45 6.758 7.508 -0.052 1.00 0.30 C ATOM 724 O VAL A 45 7.672 6.691 -0.045 1.00 0.36 O ATOM 725 CB VAL A 45 5.936 7.037 2.265 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.783 8.182 2.789 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.725 6.833 3.154 1.00 0.34 C ATOM 0 H VAL A 45 4.639 5.387 0.920 1.00 0.27 H new ATOM 0 HA VAL A 45 4.873 8.166 0.769 1.00 0.28 H new ATOM 0 HB VAL A 45 6.536 6.127 2.285 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.066 7.982 3.822 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.681 8.279 2.179 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.211 9.109 2.743 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.051 6.661 4.180 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.093 7.721 3.118 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.158 5.970 2.804 1.00 0.34 H new ATOM 737 N GLY A 46 6.764 8.589 -0.818 1.00 0.32 N ATOM 738 CA GLY A 46 7.919 8.909 -1.628 1.00 0.39 C ATOM 739 C GLY A 46 9.140 9.137 -0.775 1.00 0.41 C ATOM 740 O GLY A 46 10.197 8.567 -1.024 1.00 0.47 O ATOM 0 H GLY A 46 5.990 9.249 -0.892 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.110 8.097 -2.330 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.715 9.801 -2.220 1.00 0.39 H new ATOM 744 N SER A 47 8.990 9.969 0.241 1.00 0.43 N ATOM 745 CA SER A 47 10.060 10.219 1.174 1.00 0.48 C ATOM 746 C SER A 47 9.522 10.184 2.590 1.00 0.51 C ATOM 747 O SER A 47 8.561 10.875 2.892 1.00 0.49 O ATOM 748 CB SER A 47 10.663 11.592 0.896 1.00 0.53 C ATOM 749 OG SER A 47 10.989 11.745 -0.475 1.00 1.23 O ATOM 0 H SER A 47 8.130 10.482 0.436 1.00 0.43 H new ATOM 0 HA SER A 47 10.826 9.452 1.059 1.00 0.48 H new ATOM 0 HB2 SER A 47 9.957 12.368 1.193 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.559 11.727 1.502 1.00 0.53 H new ATOM 0 HG SER A 47 10.511 12.518 -0.841 1.00 1.23 H new ATOM 755 N ALA A 48 10.110 9.379 3.456 1.00 0.62 N ATOM 756 CA ALA A 48 9.768 9.458 4.866 1.00 0.70 C ATOM 757 C ALA A 48 10.470 10.666 5.468 1.00 0.75 C ATOM 758 O ALA A 48 10.149 11.110 6.571 1.00 0.82 O ATOM 759 CB ALA A 48 10.132 8.177 5.604 1.00 0.81 C ATOM 0 H ALA A 48 10.811 8.678 3.217 1.00 0.62 H new ATOM 0 HA ALA A 48 8.689 9.575 4.970 1.00 0.70 H new ATOM 0 HB1 ALA A 48 9.862 8.273 6.655 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.591 7.338 5.166 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.204 8.001 5.520 1.00 0.81 H new ATOM 765 N GLU A 49 11.424 11.203 4.705 1.00 0.75 N ATOM 766 CA GLU A 49 12.110 12.431 5.066 1.00 0.83 C ATOM 767 C GLU A 49 11.150 13.599 4.895 1.00 0.82 C ATOM 768 O GLU A 49 11.041 14.465 5.763 1.00 0.93 O ATOM 769 CB GLU A 49 13.354 12.618 4.188 1.00 0.90 C ATOM 770 CG GLU A 49 14.209 13.815 4.569 1.00 1.06 C ATOM 771 CD GLU A 49 15.485 13.899 3.756 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.445 13.160 4.064 1.00 1.99 O ATOM 773 OE2 GLU A 49 15.538 14.715 2.814 1.00 1.96 O ATOM 0 H GLU A 49 11.737 10.796 3.824 1.00 0.75 H new ATOM 0 HA GLU A 49 12.436 12.382 6.105 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.964 11.717 4.245 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.040 12.725 3.150 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.632 14.729 4.429 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.460 13.756 5.628 1.00 1.06 H new ATOM 780 N SER A 50 10.453 13.614 3.767 1.00 0.74 N ATOM 781 CA SER A 50 9.365 14.545 3.555 1.00 0.79 C ATOM 782 C SER A 50 8.232 13.813 2.858 1.00 0.75 C ATOM 783 O SER A 50 8.254 13.622 1.643 1.00 1.26 O ATOM 784 CB SER A 50 9.830 15.752 2.740 1.00 0.96 C ATOM 785 OG SER A 50 10.978 16.350 3.324 1.00 1.72 O ATOM 0 H SER A 50 10.627 12.985 2.983 1.00 0.74 H new ATOM 0 HA SER A 50 9.014 14.926 4.514 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.057 15.441 1.720 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.026 16.485 2.678 1.00 0.96 H new ATOM 0 HG SER A 50 11.257 17.119 2.784 1.00 1.72 H new ATOM 791 N GLU A 51 7.253 13.384 3.639 1.00 0.78 N ATOM 792 CA GLU A 51 6.209 12.494 3.146 1.00 0.71 C ATOM 793 C GLU A 51 5.268 13.213 2.181 1.00 0.74 C ATOM 794 O GLU A 51 4.371 12.602 1.602 1.00 0.80 O ATOM 795 CB GLU A 51 5.417 11.872 4.308 1.00 0.85 C ATOM 796 CG GLU A 51 4.886 12.875 5.329 1.00 1.46 C ATOM 797 CD GLU A 51 5.939 13.316 6.330 1.00 1.68 C ATOM 798 OE1 GLU A 51 6.647 14.309 6.058 1.00 2.02 O ATOM 799 OE2 GLU A 51 6.052 12.683 7.400 1.00 2.09 O ATOM 0 H GLU A 51 7.158 13.638 4.622 1.00 0.78 H new ATOM 0 HA GLU A 51 6.701 11.691 2.598 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.576 11.312 3.898 1.00 0.85 H new ATOM 0 HB3 GLU A 51 6.057 11.155 4.823 1.00 0.85 H new ATOM 0 HG2 GLU A 51 4.502 13.750 4.805 1.00 1.46 H new ATOM 0 HG3 GLU A 51 4.047 12.431 5.864 1.00 1.46 H new ATOM 806 N GLU A 52 5.491 14.511 2.006 1.00 0.78 N ATOM 807 CA GLU A 52 4.759 15.302 1.028 1.00 0.89 C ATOM 808 C GLU A 52 5.142 14.871 -0.392 1.00 0.78 C ATOM 809 O GLU A 52 4.551 15.313 -1.375 1.00 0.85 O ATOM 810 CB GLU A 52 5.067 16.787 1.235 1.00 1.09 C ATOM 811 CG GLU A 52 4.095 17.725 0.542 1.00 1.70 C ATOM 812 CD GLU A 52 2.663 17.516 0.993 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.447 17.257 2.193 1.00 2.83 O ATOM 814 OE2 GLU A 52 1.751 17.622 0.148 1.00 2.43 O ATOM 0 H GLU A 52 6.182 15.041 2.537 1.00 0.78 H new ATOM 0 HA GLU A 52 3.690 15.139 1.162 1.00 0.89 H new ATOM 0 HB2 GLU A 52 5.063 17.002 2.304 1.00 1.09 H new ATOM 0 HB3 GLU A 52 6.074 16.992 0.872 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.388 18.756 0.739 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.158 17.576 -0.536 1.00 1.70 H new ATOM 821 N TYR A 53 6.146 14.005 -0.482 1.00 0.65 N ATOM 822 CA TYR A 53 6.585 13.455 -1.756 1.00 0.61 C ATOM 823 C TYR A 53 5.890 12.125 -2.039 1.00 0.52 C ATOM 824 O TYR A 53 6.390 11.309 -2.812 1.00 0.52 O ATOM 825 CB TYR A 53 8.105 13.256 -1.742 1.00 0.62 C ATOM 826 CG TYR A 53 8.886 14.536 -1.556 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.551 15.693 -2.247 1.00 1.23 C ATOM 828 CD2 TYR A 53 9.955 14.584 -0.679 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.265 16.860 -2.064 1.00 1.44 C ATOM 830 CE2 TYR A 53 10.673 15.742 -0.486 1.00 1.01 C ATOM 831 CZ TYR A 53 10.326 16.881 -1.182 1.00 1.25 C ATOM 832 OH TYR A 53 11.031 18.047 -0.994 1.00 1.48 O ATOM 0 H TYR A 53 6.675 13.667 0.322 1.00 0.65 H new ATOM 0 HA TYR A 53 6.320 14.158 -2.545 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.364 12.564 -0.941 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.409 12.788 -2.678 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.720 15.680 -2.937 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.232 13.694 -0.134 1.00 0.83 H new ATOM 0 HE1 TYR A 53 8.995 17.753 -2.609 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.502 15.759 0.206 1.00 1.01 H new ATOM 0 HH TYR A 53 11.746 17.895 -0.341 1.00 1.48 H new ATOM 842 N ASP A 54 4.734 11.912 -1.412 1.00 0.52 N ATOM 843 CA ASP A 54 3.985 10.668 -1.582 1.00 0.52 C ATOM 844 C ASP A 54 3.551 10.499 -3.035 1.00 0.57 C ATOM 845 O ASP A 54 3.241 11.477 -3.725 1.00 0.68 O ATOM 846 CB ASP A 54 2.759 10.620 -0.654 1.00 0.65 C ATOM 847 CG ASP A 54 1.651 11.578 -1.062 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.760 12.786 -0.758 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.659 11.125 -1.668 1.00 1.22 O ATOM 0 H ASP A 54 4.296 12.584 -0.782 1.00 0.52 H new ATOM 0 HA ASP A 54 4.646 9.845 -1.312 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.363 9.604 -0.640 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.074 10.853 0.363 1.00 0.65 H new ATOM 854 N GLN A 55 3.550 9.262 -3.500 1.00 0.54 N ATOM 855 CA GLN A 55 3.202 8.971 -4.879 1.00 0.60 C ATOM 856 C GLN A 55 2.199 7.831 -4.951 1.00 0.46 C ATOM 857 O GLN A 55 2.307 6.845 -4.226 1.00 0.57 O ATOM 858 CB GLN A 55 4.459 8.624 -5.685 1.00 0.78 C ATOM 859 CG GLN A 55 5.167 7.362 -5.209 1.00 0.87 C ATOM 860 CD GLN A 55 6.468 7.112 -5.938 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.496 6.475 -6.988 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.562 7.602 -5.376 1.00 0.81 N ATOM 0 H GLN A 55 3.787 8.442 -2.942 1.00 0.54 H new ATOM 0 HA GLN A 55 2.744 9.861 -5.311 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.185 8.502 -6.733 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.155 9.461 -5.633 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.364 7.442 -4.140 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.507 6.506 -5.348 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.496 8.126 -4.503 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.471 7.456 -5.816 1.00 0.81 H new ATOM 871 N VAL A 56 1.219 7.979 -5.820 1.00 0.41 N ATOM 872 CA VAL A 56 0.229 6.943 -6.038 1.00 0.37 C ATOM 873 C VAL A 56 0.735 5.975 -7.093 1.00 0.36 C ATOM 874 O VAL A 56 1.000 6.367 -8.231 1.00 0.44 O ATOM 875 CB VAL A 56 -1.127 7.532 -6.487 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.165 6.432 -6.659 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.611 8.574 -5.491 1.00 1.08 C ATOM 0 H VAL A 56 1.087 8.814 -6.391 1.00 0.41 H new ATOM 0 HA VAL A 56 0.072 6.424 -5.093 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.985 8.017 -7.453 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.111 6.871 -6.975 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.823 5.724 -7.414 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.305 5.912 -5.711 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.567 8.978 -5.823 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.733 8.112 -4.511 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.880 9.380 -5.424 1.00 1.08 H new ATOM 887 N LEU A 57 0.895 4.722 -6.707 1.00 0.34 N ATOM 888 CA LEU A 57 1.396 3.704 -7.611 1.00 0.39 C ATOM 889 C LEU A 57 0.342 3.325 -8.644 1.00 0.36 C ATOM 890 O LEU A 57 0.595 3.377 -9.847 1.00 0.48 O ATOM 891 CB LEU A 57 1.833 2.475 -6.819 1.00 0.44 C ATOM 892 CG LEU A 57 3.111 2.658 -6.002 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.406 1.413 -5.184 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.274 2.977 -6.925 1.00 0.77 C ATOM 0 H LEU A 57 0.684 4.384 -5.768 1.00 0.34 H new ATOM 0 HA LEU A 57 2.257 4.108 -8.143 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.026 2.189 -6.145 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.978 1.646 -7.512 1.00 0.44 H new ATOM 0 HG LEU A 57 2.970 3.491 -5.313 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.320 1.563 -4.609 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.577 1.220 -4.503 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.533 0.561 -5.852 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.182 3.106 -6.335 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.413 2.158 -7.631 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.063 3.896 -7.472 1.00 0.77 H new ATOM 906 N ASP A 58 -0.839 2.959 -8.168 1.00 0.31 N ATOM 907 CA ASP A 58 -1.931 2.572 -9.049 1.00 0.35 C ATOM 908 C ASP A 58 -3.265 2.718 -8.323 1.00 0.33 C ATOM 909 O ASP A 58 -3.309 2.756 -7.089 1.00 0.33 O ATOM 910 CB ASP A 58 -1.734 1.128 -9.532 1.00 0.43 C ATOM 911 CG ASP A 58 -2.684 0.731 -10.651 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.301 1.625 -11.271 1.00 0.92 O ATOM 913 OD2 ASP A 58 -2.807 -0.482 -10.929 1.00 1.31 O ATOM 0 H ASP A 58 -1.066 2.922 -7.174 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.936 3.229 -9.919 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.707 1.005 -9.876 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.872 0.449 -8.690 1.00 0.43 H new ATOM 918 N SER A 59 -4.334 2.824 -9.093 1.00 0.42 N ATOM 919 CA SER A 59 -5.677 2.925 -8.557 1.00 0.43 C ATOM 920 C SER A 59 -6.591 1.943 -9.280 1.00 0.46 C ATOM 921 O SER A 59 -6.840 2.074 -10.481 1.00 0.58 O ATOM 922 CB SER A 59 -6.196 4.361 -8.695 1.00 0.52 C ATOM 923 OG SER A 59 -5.976 4.860 -10.005 1.00 1.09 O ATOM 0 H SER A 59 -4.293 2.842 -10.112 1.00 0.42 H new ATOM 0 HA SER A 59 -5.664 2.672 -7.497 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.261 4.390 -8.466 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.696 5.003 -7.969 1.00 0.52 H new ATOM 0 HG SER A 59 -6.152 4.152 -10.659 1.00 1.09 H new ATOM 929 N VAL A 60 -7.081 0.959 -8.548 1.00 0.39 N ATOM 930 CA VAL A 60 -7.891 -0.093 -9.127 1.00 0.45 C ATOM 931 C VAL A 60 -9.367 0.158 -8.847 1.00 0.38 C ATOM 932 O VAL A 60 -9.818 0.093 -7.706 1.00 0.39 O ATOM 933 CB VAL A 60 -7.478 -1.477 -8.577 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.363 -2.580 -9.136 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.016 -1.766 -8.891 1.00 1.11 C ATOM 0 H VAL A 60 -6.929 0.868 -7.543 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.727 -0.088 -10.205 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.607 -1.454 -7.495 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.047 -3.541 -8.730 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.400 -2.391 -8.857 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.278 -2.599 -10.222 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.745 -2.745 -8.495 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.867 -1.757 -9.971 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.388 -1.003 -8.432 1.00 1.11 H new ATOM 945 N LEU A 61 -10.097 0.484 -9.900 1.00 0.40 N ATOM 946 CA LEU A 61 -11.525 0.751 -9.806 1.00 0.39 C ATOM 947 C LEU A 61 -12.312 -0.492 -10.188 1.00 0.38 C ATOM 948 O LEU A 61 -12.162 -0.999 -11.301 1.00 0.57 O ATOM 949 CB LEU A 61 -11.928 1.898 -10.753 1.00 0.51 C ATOM 950 CG LEU A 61 -11.581 3.330 -10.310 1.00 0.62 C ATOM 951 CD1 LEU A 61 -12.282 3.676 -9.011 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.079 3.526 -10.178 1.00 1.34 C ATOM 0 H LEU A 61 -9.719 0.571 -10.843 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.748 1.035 -8.778 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.456 1.720 -11.719 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.005 1.844 -10.909 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.936 4.009 -11.086 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -12.022 4.693 -8.717 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -13.361 3.603 -9.149 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -11.968 2.981 -8.232 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.872 4.549 -9.864 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.685 2.831 -9.436 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.602 3.338 -11.140 1.00 1.34 H new ATOM 964 N VAL A 62 -13.125 -1.012 -9.273 1.00 0.27 N ATOM 965 CA VAL A 62 -14.061 -2.059 -9.654 1.00 0.27 C ATOM 966 C VAL A 62 -15.485 -1.642 -9.303 1.00 0.26 C ATOM 967 O VAL A 62 -15.916 -1.735 -8.150 1.00 0.30 O ATOM 968 CB VAL A 62 -13.729 -3.392 -8.932 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.729 -4.482 -9.301 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.307 -3.844 -9.246 1.00 0.59 C ATOM 0 H VAL A 62 -13.155 -0.735 -8.292 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.975 -2.210 -10.730 1.00 0.27 H new ATOM 0 HB VAL A 62 -13.803 -3.213 -7.859 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.471 -5.404 -8.780 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.732 -4.169 -9.010 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.700 -4.653 -10.377 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.100 -4.780 -8.728 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.202 -3.993 -10.321 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.601 -3.082 -8.914 1.00 0.59 H new ATOM 980 N GLY A 63 -16.181 -1.118 -10.298 1.00 0.28 N ATOM 981 CA GLY A 63 -17.606 -0.924 -10.230 1.00 0.33 C ATOM 982 C GLY A 63 -18.364 -1.913 -11.111 1.00 0.36 C ATOM 983 O GLY A 63 -17.858 -2.327 -12.156 1.00 0.42 O ATOM 0 H GLY A 63 -15.763 -0.816 -11.178 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.937 -1.032 -9.197 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.848 0.093 -10.537 1.00 0.33 H new ATOM 987 N PRO A 64 -19.555 -2.345 -10.697 1.00 0.39 N ATOM 988 CA PRO A 64 -20.005 -2.200 -9.337 1.00 0.39 C ATOM 989 C PRO A 64 -19.581 -3.433 -8.566 1.00 0.38 C ATOM 990 O PRO A 64 -19.368 -4.497 -9.159 1.00 0.41 O ATOM 991 CB PRO A 64 -21.516 -2.121 -9.500 1.00 0.48 C ATOM 992 CG PRO A 64 -21.797 -3.053 -10.623 1.00 0.55 C ATOM 993 CD PRO A 64 -20.592 -2.978 -11.540 1.00 0.48 C ATOM 0 HA PRO A 64 -19.606 -1.341 -8.797 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -22.034 -2.423 -8.590 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.842 -1.107 -9.730 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.947 -4.069 -10.258 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.707 -2.766 -11.150 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.284 -3.967 -11.880 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.802 -2.386 -12.431 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.420 -3.322 -7.277 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.894 -4.438 -6.542 1.00 0.40 C ATOM 1003 C VAL A 65 -19.962 -5.018 -5.605 1.00 0.41 C ATOM 1004 O VAL A 65 -20.364 -4.406 -4.613 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.572 -4.042 -5.843 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.777 -3.250 -4.577 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.696 -5.253 -5.617 1.00 0.95 C ATOM 0 H VAL A 65 -19.639 -2.493 -6.725 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.637 -5.249 -7.224 1.00 0.40 H new ATOM 0 HB VAL A 65 -17.051 -3.369 -6.524 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.809 -3.006 -4.140 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -18.314 -2.329 -4.807 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -18.357 -3.841 -3.868 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -15.773 -4.948 -5.124 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -17.223 -5.971 -4.988 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -16.460 -5.715 -6.575 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.485 -6.200 -5.975 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.636 -6.820 -5.307 1.00 0.48 C ATOM 1019 C PRO A 66 -21.352 -7.234 -3.876 1.00 0.39 C ATOM 1020 O PRO A 66 -20.200 -7.466 -3.498 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.942 -8.059 -6.166 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.211 -7.840 -7.446 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.004 -7.022 -7.095 1.00 0.46 C ATOM 0 HA PRO A 66 -22.465 -6.116 -5.232 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -21.607 -8.972 -5.673 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.013 -8.164 -6.338 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.922 -8.789 -7.898 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.838 -7.320 -8.170 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.161 -7.649 -6.804 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.672 -6.410 -7.933 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.418 -7.321 -3.090 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.328 -7.736 -1.701 1.00 0.36 C ATOM 1033 C ALA A 67 -21.712 -9.120 -1.592 1.00 0.34 C ATOM 1034 O ALA A 67 -22.156 -10.066 -2.247 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.703 -7.721 -1.053 1.00 0.40 C ATOM 0 H ALA A 67 -23.366 -7.106 -3.399 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.685 -7.030 -1.176 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.618 -8.034 -0.012 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.114 -6.713 -1.096 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.364 -8.405 -1.585 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.681 -9.224 -0.779 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.022 -10.496 -0.583 1.00 0.33 C ATOM 1043 C GLY A 68 -18.532 -10.337 -0.401 1.00 0.27 C ATOM 1044 O GLY A 68 -17.977 -9.274 -0.675 1.00 0.26 O ATOM 0 H GLY A 68 -20.285 -8.449 -0.248 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.443 -10.992 0.291 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.216 -11.141 -1.440 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.880 -11.389 0.058 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.449 -11.341 0.305 1.00 0.26 C ATOM 1050 C ARG A 69 -15.672 -11.570 -0.987 1.00 0.26 C ATOM 1051 O ARG A 69 -15.744 -12.640 -1.593 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.048 -12.369 1.367 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.582 -12.298 1.758 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.302 -13.100 3.020 1.00 0.48 C ATOM 1055 NE ARG A 69 -14.619 -14.516 2.860 1.00 1.24 N ATOM 1056 CZ ARG A 69 -13.761 -15.502 3.118 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -12.561 -15.230 3.613 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -14.118 -16.763 2.908 1.00 2.78 N ATOM 0 H ARG A 69 -18.317 -12.287 0.267 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.201 -10.348 0.681 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.660 -12.218 2.256 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.268 -13.369 0.994 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.968 -12.677 0.941 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.296 -11.258 1.916 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.251 -12.994 3.289 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -14.885 -12.691 3.845 1.00 0.48 H new ATOM 0 HE ARG A 69 -15.552 -14.765 2.531 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -12.292 -14.263 3.797 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -11.907 -15.987 3.809 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -15.049 -16.977 2.549 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -13.462 -17.518 3.105 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.950 -10.542 -1.406 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.132 -10.605 -2.608 1.00 0.24 C ATOM 1074 C HIS A 70 -12.664 -10.672 -2.213 1.00 0.25 C ATOM 1075 O HIS A 70 -12.280 -10.184 -1.149 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.357 -9.375 -3.496 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.776 -9.169 -3.929 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.304 -9.698 -5.089 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.775 -8.465 -3.356 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.566 -9.326 -5.205 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.873 -8.577 -4.166 1.00 0.47 N ATOM 0 H HIS A 70 -14.914 -9.643 -0.925 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.416 -11.495 -3.170 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.023 -8.488 -2.957 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.730 -9.464 -4.383 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.718 -7.914 -2.429 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.232 -9.591 -6.013 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.783 -8.149 -3.993 1.00 0.47 H new ATOM 1090 N MET A 71 -11.854 -11.264 -3.068 1.00 0.33 N ATOM 1091 CA MET A 71 -10.432 -11.406 -2.804 1.00 0.38 C ATOM 1092 C MET A 71 -9.638 -11.168 -4.082 1.00 0.38 C ATOM 1093 O MET A 71 -9.540 -12.051 -4.937 1.00 0.48 O ATOM 1094 CB MET A 71 -10.140 -12.805 -2.249 1.00 0.47 C ATOM 1095 CG MET A 71 -8.667 -13.068 -1.976 1.00 0.60 C ATOM 1096 SD MET A 71 -8.372 -14.713 -1.292 1.00 0.80 S ATOM 1097 CE MET A 71 -9.072 -15.742 -2.580 1.00 1.80 C ATOM 0 H MET A 71 -12.157 -11.658 -3.959 1.00 0.33 H new ATOM 0 HA MET A 71 -10.132 -10.665 -2.063 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.700 -12.942 -1.324 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.506 -13.549 -2.957 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.104 -12.957 -2.903 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.290 -12.317 -1.282 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.656 -16.747 -2.509 1.00 1.80 H new ATOM 0 HE2 MET A 71 -10.155 -15.788 -2.461 1.00 1.80 H new ATOM 0 HE3 MET A 71 -8.832 -15.318 -3.555 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.089 -9.971 -4.226 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.336 -9.630 -5.424 1.00 0.31 C ATOM 1109 C PHE A 72 -6.902 -9.271 -5.055 1.00 0.29 C ATOM 1110 O PHE A 72 -6.619 -8.901 -3.912 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.011 -8.478 -6.189 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.750 -7.103 -5.632 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.304 -6.725 -4.417 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.954 -6.193 -6.309 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.071 -5.470 -3.892 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.720 -4.935 -5.788 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.258 -4.557 -4.629 1.00 0.29 C ATOM 0 H PHE A 72 -9.150 -9.224 -3.534 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.319 -10.499 -6.082 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.674 -8.504 -7.225 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.087 -8.651 -6.200 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.926 -7.422 -3.875 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.512 -6.470 -7.254 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.496 -5.184 -2.941 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.090 -4.246 -6.330 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.079 -3.562 -4.248 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.004 -9.384 -6.015 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.603 -9.111 -5.773 1.00 0.29 C ATOM 1129 C VAL A 73 -4.224 -7.768 -6.373 1.00 0.30 C ATOM 1130 O VAL A 73 -4.372 -7.543 -7.573 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.693 -10.213 -6.354 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.227 -9.911 -6.071 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.081 -11.573 -5.792 1.00 1.00 C ATOM 0 H VAL A 73 -6.222 -9.664 -6.971 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.455 -9.089 -4.693 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.829 -10.235 -7.435 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.605 -10.702 -6.490 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -1.957 -8.958 -6.526 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.068 -9.857 -4.994 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.430 -12.339 -6.212 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -3.976 -11.562 -4.707 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.116 -11.793 -6.054 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.750 -6.876 -5.528 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.332 -5.563 -5.961 1.00 0.25 C ATOM 1145 C PHE A 74 -1.830 -5.581 -6.192 1.00 0.25 C ATOM 1146 O PHE A 74 -1.066 -5.933 -5.294 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.693 -4.521 -4.899 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.710 -3.098 -5.389 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.701 -2.603 -6.203 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.738 -2.251 -5.020 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.719 -1.290 -6.635 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.759 -0.939 -5.444 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.751 -0.458 -6.252 1.00 0.31 C ATOM 0 H PHE A 74 -3.645 -7.041 -4.527 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.842 -5.298 -6.887 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.675 -4.762 -4.493 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -2.981 -4.599 -4.077 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.891 -3.252 -6.503 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.535 -2.621 -4.392 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.929 -0.917 -7.270 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.566 -0.288 -5.143 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.769 0.569 -6.585 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.415 -5.219 -7.391 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.005 -5.196 -7.732 1.00 0.27 C ATOM 1165 C GLN A 75 0.359 -3.849 -8.322 1.00 0.32 C ATOM 1166 O GLN A 75 -0.377 -3.307 -9.150 1.00 0.41 O ATOM 1167 CB GLN A 75 0.339 -6.305 -8.727 1.00 0.32 C ATOM 1168 CG GLN A 75 0.062 -7.708 -8.214 1.00 0.49 C ATOM 1169 CD GLN A 75 0.290 -8.767 -9.276 1.00 0.52 C ATOM 1170 OE1 GLN A 75 0.040 -8.415 -10.529 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.672 -9.897 -8.972 1.00 1.12 N flip ATOM 0 H GLN A 75 -2.037 -4.936 -8.148 1.00 0.24 H new ATOM 0 HA GLN A 75 0.569 -5.364 -6.820 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.230 -6.146 -9.643 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.394 -6.228 -8.990 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.704 -7.912 -7.357 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -0.968 -7.766 -7.862 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.854 -10.128 -7.995 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.807 -10.602 -9.697 1.00 1.12 H new ATOM 1180 N ALA A 76 1.479 -3.304 -7.887 1.00 0.36 N ATOM 1181 CA ALA A 76 1.941 -2.024 -8.383 1.00 0.46 C ATOM 1182 C ALA A 76 3.445 -2.053 -8.591 1.00 0.40 C ATOM 1183 O ALA A 76 4.185 -2.537 -7.733 1.00 0.48 O ATOM 1184 CB ALA A 76 1.553 -0.919 -7.420 1.00 0.56 C ATOM 0 H ALA A 76 2.087 -3.731 -7.188 1.00 0.36 H new ATOM 0 HA ALA A 76 1.466 -1.825 -9.344 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.906 0.038 -7.804 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.468 -0.891 -7.316 1.00 0.56 H new ATOM 0 HB3 ALA A 76 2.006 -1.109 -6.447 1.00 0.56 H new ATOM 1190 N ASP A 77 3.889 -1.541 -9.731 1.00 0.56 N ATOM 1191 CA ASP A 77 5.305 -1.557 -10.089 1.00 0.61 C ATOM 1192 C ASP A 77 6.136 -0.721 -9.121 1.00 0.43 C ATOM 1193 O ASP A 77 5.595 -0.010 -8.272 1.00 0.47 O ATOM 1194 CB ASP A 77 5.505 -1.047 -11.520 1.00 0.95 C ATOM 1195 CG ASP A 77 4.935 -1.988 -12.562 1.00 1.54 C ATOM 1196 OD1 ASP A 77 3.721 -1.910 -12.845 1.00 2.13 O ATOM 1197 OD2 ASP A 77 5.700 -2.807 -13.110 1.00 2.06 O ATOM 0 H ASP A 77 3.286 -1.106 -10.429 1.00 0.56 H new ATOM 0 HA ASP A 77 5.646 -2.590 -10.026 1.00 0.61 H new ATOM 0 HB2 ASP A 77 5.033 -0.070 -11.622 1.00 0.95 H new ATOM 0 HB3 ASP A 77 6.570 -0.908 -11.706 1.00 0.95 H new ATOM 1202 N ALA A 78 7.454 -0.814 -9.264 1.00 0.45 N ATOM 1203 CA ALA A 78 8.378 -0.118 -8.385 1.00 0.36 C ATOM 1204 C ALA A 78 8.159 1.389 -8.437 1.00 0.37 C ATOM 1205 O ALA A 78 8.109 1.980 -9.518 1.00 0.46 O ATOM 1206 CB ALA A 78 9.812 -0.457 -8.766 1.00 0.40 C ATOM 0 H ALA A 78 7.906 -1.371 -9.989 1.00 0.45 H new ATOM 0 HA ALA A 78 8.191 -0.448 -7.363 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.499 0.069 -8.102 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.969 -1.532 -8.673 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.997 -0.151 -9.796 1.00 0.40 H new ATOM 1212 N PRO A 79 7.998 2.019 -7.266 1.00 0.34 N ATOM 1213 CA PRO A 79 7.842 3.471 -7.156 1.00 0.43 C ATOM 1214 C PRO A 79 9.023 4.220 -7.759 1.00 0.41 C ATOM 1215 O PRO A 79 10.115 3.667 -7.893 1.00 0.47 O ATOM 1216 CB PRO A 79 7.778 3.715 -5.644 1.00 0.47 C ATOM 1217 CG PRO A 79 7.355 2.412 -5.064 1.00 0.53 C ATOM 1218 CD PRO A 79 7.940 1.358 -5.954 1.00 0.33 C ATOM 0 HA PRO A 79 6.964 3.827 -7.695 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.747 4.026 -5.253 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.067 4.505 -5.401 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.716 2.304 -4.041 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.268 2.334 -5.029 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.929 1.049 -5.615 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.318 0.463 -5.981 1.00 0.33 H new ATOM 1226 N ASN A 80 8.799 5.476 -8.118 1.00 0.43 N ATOM 1227 CA ASN A 80 9.843 6.305 -8.709 1.00 0.46 C ATOM 1228 C ASN A 80 11.024 6.442 -7.754 1.00 0.40 C ATOM 1229 O ASN A 80 10.906 7.071 -6.698 1.00 0.39 O ATOM 1230 CB ASN A 80 9.294 7.691 -9.066 1.00 0.56 C ATOM 1231 CG ASN A 80 10.350 8.602 -9.667 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.290 8.145 -10.317 1.00 2.19 O ATOM 1233 ND2 ASN A 80 10.201 9.900 -9.460 1.00 1.59 N ATOM 0 H ASN A 80 7.900 5.946 -8.010 1.00 0.43 H new ATOM 0 HA ASN A 80 10.186 5.818 -9.622 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.471 7.581 -9.772 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.885 8.157 -8.170 1.00 0.56 H new ATOM 0 HD21 ASN A 80 10.878 10.559 -9.844 1.00 1.59 H new ATOM 0 HD22 ASN A 80 9.409 10.242 -8.916 1.00 1.59 H new ATOM 1240 N PRO A 81 12.177 5.853 -8.113 1.00 0.41 N ATOM 1241 CA PRO A 81 13.381 5.879 -7.278 1.00 0.41 C ATOM 1242 C PRO A 81 13.917 7.291 -7.101 1.00 0.43 C ATOM 1243 O PRO A 81 14.681 7.564 -6.177 1.00 0.48 O ATOM 1244 CB PRO A 81 14.388 5.019 -8.049 1.00 0.47 C ATOM 1245 CG PRO A 81 13.571 4.231 -9.013 1.00 0.54 C ATOM 1246 CD PRO A 81 12.403 5.106 -9.361 1.00 0.48 C ATOM 0 HA PRO A 81 13.183 5.511 -6.271 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.120 5.639 -8.567 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.943 4.365 -7.377 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.149 3.977 -9.901 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.239 3.292 -8.570 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.629 5.770 -10.195 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.529 4.521 -9.647 1.00 0.48 H new ATOM 1254 N GLY A 82 13.514 8.182 -7.996 1.00 0.45 N ATOM 1255 CA GLY A 82 13.909 9.570 -7.898 1.00 0.49 C ATOM 1256 C GLY A 82 13.202 10.289 -6.765 1.00 0.48 C ATOM 1257 O GLY A 82 13.624 11.367 -6.347 1.00 0.51 O ATOM 0 H GLY A 82 12.916 7.965 -8.793 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.987 9.629 -7.747 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.691 10.075 -8.839 1.00 0.49 H new ATOM 1261 N LEU A 83 12.119 9.698 -6.267 1.00 0.46 N ATOM 1262 CA LEU A 83 11.383 10.279 -5.152 1.00 0.49 C ATOM 1263 C LEU A 83 11.839 9.698 -3.822 1.00 0.46 C ATOM 1264 O LEU A 83 11.694 10.337 -2.784 1.00 0.52 O ATOM 1265 CB LEU A 83 9.876 10.078 -5.319 1.00 0.52 C ATOM 1266 CG LEU A 83 9.163 11.168 -6.124 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.694 10.825 -6.307 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.305 12.516 -5.433 1.00 1.34 C ATOM 0 H LEU A 83 11.734 8.821 -6.617 1.00 0.46 H new ATOM 0 HA LEU A 83 11.594 11.348 -5.152 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.704 9.118 -5.805 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.421 10.021 -4.330 1.00 0.52 H new ATOM 0 HG LEU A 83 9.629 11.227 -7.107 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.205 11.612 -6.881 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.605 9.878 -6.840 1.00 1.60 H new ATOM 0 HD13 LEU A 83 7.216 10.738 -5.331 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.793 13.280 -6.018 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.863 12.463 -4.438 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.361 12.772 -5.348 1.00 1.34 H new ATOM 1280 N ILE A 84 12.381 8.487 -3.851 1.00 0.41 N ATOM 1281 CA ILE A 84 12.869 7.863 -2.633 1.00 0.40 C ATOM 1282 C ILE A 84 14.236 8.440 -2.267 1.00 0.46 C ATOM 1283 O ILE A 84 15.198 8.321 -3.027 1.00 0.52 O ATOM 1284 CB ILE A 84 12.950 6.330 -2.765 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.589 5.770 -3.194 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.391 5.712 -1.446 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.581 4.271 -3.401 1.00 0.33 C ATOM 0 H ILE A 84 12.492 7.925 -4.695 1.00 0.41 H new ATOM 0 HA ILE A 84 12.158 8.082 -1.836 1.00 0.40 H new ATOM 0 HB ILE A 84 13.687 6.077 -3.527 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.847 6.027 -2.438 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.282 6.257 -4.120 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.445 4.628 -1.552 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.373 6.099 -1.173 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.672 5.965 -0.667 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.584 3.951 -3.703 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.298 4.007 -4.179 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.856 3.774 -2.471 1.00 0.33 H new ATOM 1299 N PRO A 85 14.321 9.084 -1.095 1.00 0.48 N ATOM 1300 CA PRO A 85 15.505 9.835 -0.665 1.00 0.57 C ATOM 1301 C PRO A 85 16.725 8.956 -0.417 1.00 0.56 C ATOM 1302 O PRO A 85 16.613 7.746 -0.214 1.00 0.55 O ATOM 1303 CB PRO A 85 15.057 10.506 0.642 1.00 0.68 C ATOM 1304 CG PRO A 85 13.573 10.401 0.642 1.00 0.81 C ATOM 1305 CD PRO A 85 13.259 9.136 -0.090 1.00 0.50 C ATOM 0 HA PRO A 85 15.825 10.534 -1.438 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.488 10.006 1.510 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.379 11.547 0.681 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.182 10.373 1.659 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.119 11.261 0.150 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.281 8.269 0.570 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.269 9.165 -0.546 1.00 0.50 H new ATOM 1313 N ASP A 86 17.883 9.601 -0.412 1.00 0.67 N ATOM 1314 CA ASP A 86 19.172 8.938 -0.271 1.00 0.76 C ATOM 1315 C ASP A 86 19.249 8.111 1.011 1.00 0.78 C ATOM 1316 O ASP A 86 19.451 6.898 0.970 1.00 0.86 O ATOM 1317 CB ASP A 86 20.266 10.006 -0.276 1.00 0.98 C ATOM 1318 CG ASP A 86 21.662 9.431 -0.252 1.00 1.52 C ATOM 1319 OD1 ASP A 86 22.215 9.172 -1.341 1.00 1.92 O ATOM 1320 OD2 ASP A 86 22.226 9.278 0.851 1.00 2.29 O ATOM 0 H ASP A 86 17.955 10.614 -0.507 1.00 0.67 H new ATOM 0 HA ASP A 86 19.306 8.248 -1.104 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.152 10.629 -1.163 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.133 10.656 0.589 1.00 0.98 H new ATOM 1325 N ALA A 87 19.053 8.762 2.147 1.00 0.83 N ATOM 1326 CA ALA A 87 19.192 8.098 3.434 1.00 0.99 C ATOM 1327 C ALA A 87 17.901 7.395 3.820 1.00 0.90 C ATOM 1328 O ALA A 87 17.892 6.512 4.680 1.00 1.07 O ATOM 1329 CB ALA A 87 19.593 9.098 4.508 1.00 1.25 C ATOM 0 H ALA A 87 18.798 9.748 2.204 1.00 0.83 H new ATOM 0 HA ALA A 87 19.977 7.347 3.347 1.00 0.99 H new ATOM 0 HB1 ALA A 87 19.693 8.585 5.464 1.00 1.25 H new ATOM 0 HB2 ALA A 87 20.545 9.556 4.241 1.00 1.25 H new ATOM 0 HB3 ALA A 87 18.829 9.871 4.589 1.00 1.25 H new ATOM 1335 N ASP A 88 16.813 7.786 3.177 1.00 0.76 N ATOM 1336 CA ASP A 88 15.502 7.252 3.501 1.00 0.78 C ATOM 1337 C ASP A 88 15.285 5.899 2.828 1.00 0.62 C ATOM 1338 O ASP A 88 14.557 5.050 3.338 1.00 0.64 O ATOM 1339 CB ASP A 88 14.440 8.246 3.058 1.00 0.99 C ATOM 1340 CG ASP A 88 13.118 8.051 3.752 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.040 8.357 4.958 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.148 7.632 3.086 1.00 1.94 O ATOM 0 H ASP A 88 16.813 8.474 2.424 1.00 0.76 H new ATOM 0 HA ASP A 88 15.432 7.100 4.578 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.797 9.258 3.248 1.00 0.99 H new ATOM 0 HB3 ASP A 88 14.294 8.157 1.981 1.00 0.99 H new ATOM 1347 N ALA A 89 15.943 5.699 1.687 1.00 0.54 N ATOM 1348 CA ALA A 89 15.850 4.442 0.947 1.00 0.49 C ATOM 1349 C ALA A 89 16.491 3.297 1.721 1.00 0.44 C ATOM 1350 O ALA A 89 16.160 2.135 1.517 1.00 0.51 O ATOM 1351 CB ALA A 89 16.511 4.580 -0.417 1.00 0.48 C ATOM 0 H ALA A 89 16.549 6.395 1.253 1.00 0.54 H new ATOM 0 HA ALA A 89 14.793 4.213 0.811 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.434 3.636 -0.956 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.012 5.364 -0.986 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.562 4.839 -0.288 1.00 0.48 H new ATOM 1357 N VAL A 90 17.409 3.634 2.609 1.00 0.41 N ATOM 1358 CA VAL A 90 18.107 2.637 3.405 1.00 0.43 C ATOM 1359 C VAL A 90 17.433 2.519 4.774 1.00 0.43 C ATOM 1360 O VAL A 90 18.090 2.380 5.805 1.00 0.49 O ATOM 1361 CB VAL A 90 19.597 3.010 3.585 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.403 1.813 4.072 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.175 3.555 2.285 1.00 0.54 C ATOM 0 H VAL A 90 17.691 4.596 2.799 1.00 0.41 H new ATOM 0 HA VAL A 90 18.058 1.681 2.884 1.00 0.43 H new ATOM 0 HB VAL A 90 19.661 3.791 4.343 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.447 2.102 4.191 1.00 0.56 H new ATOM 0 HG12 VAL A 90 20.009 1.475 5.030 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.330 1.005 3.344 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.224 3.812 2.433 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.093 2.798 1.505 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.622 4.446 1.986 1.00 0.54 H new ATOM 1373 N GLY A 91 16.109 2.568 4.773 1.00 0.42 N ATOM 1374 CA GLY A 91 15.376 2.602 6.018 1.00 0.46 C ATOM 1375 C GLY A 91 13.921 2.233 5.844 1.00 0.43 C ATOM 1376 O GLY A 91 13.557 1.541 4.893 1.00 0.62 O ATOM 0 H GLY A 91 15.531 2.585 3.933 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.839 1.916 6.727 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.445 3.601 6.449 1.00 0.46 H new ATOM 1380 N VAL A 92 13.086 2.704 6.755 1.00 0.40 N ATOM 1381 CA VAL A 92 11.678 2.352 6.752 1.00 0.38 C ATOM 1382 C VAL A 92 10.837 3.411 6.040 1.00 0.36 C ATOM 1383 O VAL A 92 10.892 4.597 6.360 1.00 0.55 O ATOM 1384 CB VAL A 92 11.148 2.127 8.189 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.405 3.343 9.068 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.666 1.772 8.174 1.00 1.23 C ATOM 0 H VAL A 92 13.361 3.334 7.509 1.00 0.40 H new ATOM 0 HA VAL A 92 11.586 1.416 6.202 1.00 0.38 H new ATOM 0 HB VAL A 92 11.694 1.285 8.616 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.022 3.155 10.071 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.477 3.535 9.119 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.901 4.211 8.644 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.318 1.619 9.196 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.102 2.585 7.716 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.517 0.858 7.599 1.00 1.23 H new ATOM 1396 N THR A 93 10.073 2.961 5.064 1.00 0.28 N ATOM 1397 CA THR A 93 9.147 3.798 4.345 1.00 0.28 C ATOM 1398 C THR A 93 7.764 3.171 4.490 1.00 0.27 C ATOM 1399 O THR A 93 7.656 2.036 4.942 1.00 0.41 O ATOM 1400 CB THR A 93 9.543 3.895 2.859 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.971 3.853 2.732 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.032 5.186 2.249 1.00 0.59 C ATOM 0 H THR A 93 10.082 1.991 4.748 1.00 0.28 H new ATOM 0 HA THR A 93 9.154 4.811 4.748 1.00 0.28 H new ATOM 0 HB THR A 93 9.097 3.051 2.333 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.217 3.913 1.785 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.323 5.233 1.200 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.945 5.220 2.326 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.460 6.035 2.783 1.00 0.59 H new ATOM 1410 N VAL A 94 6.709 3.878 4.148 1.00 0.25 N ATOM 1411 CA VAL A 94 5.377 3.323 4.325 1.00 0.25 C ATOM 1412 C VAL A 94 4.670 3.159 2.985 1.00 0.24 C ATOM 1413 O VAL A 94 4.792 4.002 2.096 1.00 0.28 O ATOM 1414 CB VAL A 94 4.515 4.196 5.269 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.221 3.485 5.630 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.293 4.563 6.527 1.00 0.32 C ATOM 0 H VAL A 94 6.740 4.818 3.754 1.00 0.25 H new ATOM 0 HA VAL A 94 5.499 2.342 4.783 1.00 0.25 H new ATOM 0 HB VAL A 94 4.264 5.116 4.742 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.631 4.117 6.294 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.652 3.282 4.723 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.450 2.545 6.133 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.668 5.177 7.176 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.581 3.654 7.055 1.00 0.32 H new ATOM 0 HG23 VAL A 94 6.188 5.121 6.252 1.00 0.32 H new ATOM 1426 N VAL A 95 3.961 2.055 2.832 1.00 0.22 N ATOM 1427 CA VAL A 95 3.129 1.839 1.664 1.00 0.22 C ATOM 1428 C VAL A 95 1.670 1.779 2.099 1.00 0.24 C ATOM 1429 O VAL A 95 1.294 0.976 2.957 1.00 0.34 O ATOM 1430 CB VAL A 95 3.535 0.562 0.883 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.528 -0.669 1.774 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.633 0.353 -0.324 1.00 0.60 C ATOM 0 H VAL A 95 3.946 1.290 3.507 1.00 0.22 H new ATOM 0 HA VAL A 95 3.272 2.673 0.977 1.00 0.22 H new ATOM 0 HB VAL A 95 4.556 0.709 0.531 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.818 -1.543 1.190 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.234 -0.530 2.593 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.527 -0.819 2.179 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.938 -0.549 -0.855 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.600 0.247 0.008 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.713 1.211 -0.991 1.00 0.60 H new ATOM 1442 N LEU A 96 0.860 2.661 1.543 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.517 2.802 1.981 1.00 0.26 C ATOM 1444 C LEU A 96 -1.483 2.237 0.960 1.00 0.24 C ATOM 1445 O LEU A 96 -1.287 2.373 -0.243 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.868 4.272 2.225 1.00 0.44 C ATOM 1447 CG LEU A 96 0.067 5.038 3.164 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.297 6.514 3.183 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.004 4.461 4.569 1.00 1.21 C ATOM 0 H LEU A 96 1.131 3.290 0.788 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.610 2.243 2.912 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -0.885 4.785 1.264 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -1.878 4.321 2.631 1.00 0.44 H new ATOM 0 HG LEU A 96 1.088 4.935 2.796 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.376 7.046 3.855 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -0.205 6.924 2.177 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.324 6.631 3.530 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.666 5.016 5.225 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.025 4.539 4.943 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.295 3.413 4.548 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.528 1.613 1.458 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.634 1.184 0.628 1.00 0.24 C ATOM 1463 C ILE A 97 -4.905 1.840 1.132 1.00 0.26 C ATOM 1464 O ILE A 97 -5.439 1.470 2.179 1.00 0.28 O ATOM 1465 CB ILE A 97 -3.812 -0.348 0.621 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.549 -1.028 0.090 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.027 -0.737 -0.215 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.672 -2.529 -0.013 1.00 0.30 C ATOM 0 H ILE A 97 -2.636 1.389 2.447 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.418 1.485 -0.397 1.00 0.24 H new ATOM 0 HB ILE A 97 -3.978 -0.685 1.644 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.314 -0.622 -0.894 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.712 -0.784 0.744 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.140 -1.821 -0.211 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -5.921 -0.277 0.207 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.890 -0.391 -1.239 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -1.740 -2.945 -0.396 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -2.877 -2.946 0.973 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.488 -2.782 -0.690 1.00 0.30 H new ATOM 1480 N THR A 98 -5.363 2.836 0.408 1.00 0.29 N ATOM 1481 CA THR A 98 -6.531 3.589 0.809 1.00 0.33 C ATOM 1482 C THR A 98 -7.649 3.389 -0.204 1.00 0.28 C ATOM 1483 O THR A 98 -7.421 3.426 -1.414 1.00 0.37 O ATOM 1484 CB THR A 98 -6.192 5.093 0.976 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.359 5.840 1.343 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.591 5.668 -0.299 1.00 1.07 C ATOM 0 H THR A 98 -4.941 3.145 -0.468 1.00 0.29 H new ATOM 0 HA THR A 98 -6.869 3.220 1.777 1.00 0.33 H new ATOM 0 HB THR A 98 -5.454 5.175 1.774 1.00 0.43 H new ATOM 0 HG1 THR A 98 -7.395 6.669 0.821 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.364 6.724 -0.150 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.675 5.131 -0.544 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.303 5.562 -1.117 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.847 3.135 0.289 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.969 2.876 -0.586 1.00 0.29 C ATOM 1496 C CYS A 99 -10.956 4.031 -0.532 1.00 0.31 C ATOM 1497 O CYS A 99 -11.381 4.464 0.547 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.647 1.558 -0.218 1.00 0.36 C ATOM 1499 SG CYS A 99 -11.906 1.023 -1.397 1.00 1.32 S ATOM 0 H CYS A 99 -9.065 3.103 1.285 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.601 2.788 -1.608 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -9.887 0.781 -0.137 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.105 1.660 0.766 1.00 0.36 H new ATOM 0 HG CYS A 99 -11.674 1.565 -2.556 1.00 1.32 H new ATOM 1505 N THR A 100 -11.307 4.525 -1.705 1.00 0.34 N ATOM 1506 CA THR A 100 -12.137 5.701 -1.829 1.00 0.38 C ATOM 1507 C THR A 100 -13.538 5.339 -2.317 1.00 0.37 C ATOM 1508 O THR A 100 -13.700 4.551 -3.251 1.00 0.41 O ATOM 1509 CB THR A 100 -11.508 6.697 -2.822 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.087 6.740 -2.641 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.080 8.089 -2.633 1.00 0.50 C ATOM 0 H THR A 100 -11.023 4.120 -2.597 1.00 0.34 H new ATOM 0 HA THR A 100 -12.210 6.156 -0.841 1.00 0.38 H new ATOM 0 HB THR A 100 -11.740 6.357 -3.831 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.644 6.408 -3.450 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.619 8.772 -3.346 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.157 8.065 -2.798 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.876 8.432 -1.619 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.541 5.905 -1.667 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.914 5.799 -2.122 1.00 0.40 C ATOM 1521 C TYR A 101 -16.581 7.156 -1.952 1.00 0.44 C ATOM 1522 O TYR A 101 -16.454 7.781 -0.898 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.677 4.725 -1.338 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.998 4.333 -1.968 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -19.157 5.045 -1.688 1.00 0.68 C ATOM 1526 CD2 TYR A 101 -18.090 3.254 -2.840 1.00 0.53 C ATOM 1527 CE1 TYR A 101 -20.369 4.695 -2.256 1.00 0.73 C ATOM 1528 CE2 TYR A 101 -19.297 2.896 -3.412 1.00 0.58 C ATOM 1529 CZ TYR A 101 -20.421 3.603 -3.135 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.643 3.267 -3.685 1.00 0.65 O ATOM 0 H TYR A 101 -14.426 6.449 -0.812 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.926 5.503 -3.171 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -16.050 3.838 -1.250 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.861 5.088 -0.327 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -19.111 5.888 -1.014 1.00 0.68 H new ATOM 0 HD2 TYR A 101 -17.203 2.685 -3.075 1.00 0.53 H new ATOM 0 HE1 TYR A 101 -21.263 5.255 -2.026 1.00 0.73 H new ATOM 0 HE2 TYR A 101 -19.345 2.050 -4.082 1.00 0.58 H new ATOM 0 HH TYR A 101 -22.195 4.072 -3.772 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.246 7.628 -3.003 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.886 8.949 -3.002 1.00 0.59 C ATOM 1542 C ARG A 102 -16.845 10.067 -2.963 1.00 0.57 C ATOM 1543 O ARG A 102 -17.179 11.227 -2.724 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.851 9.097 -1.813 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.157 8.343 -1.983 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.985 8.957 -3.091 1.00 0.86 C ATOM 1547 NE ARG A 102 -22.223 8.230 -3.352 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.874 8.300 -4.510 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -22.392 9.052 -5.491 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -24.004 7.635 -4.684 1.00 2.45 N ATOM 0 H ARG A 102 -17.359 7.113 -3.876 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.455 9.033 -3.928 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.355 8.745 -0.909 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.070 10.154 -1.665 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.952 7.297 -2.211 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.718 8.362 -1.049 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -21.224 9.988 -2.829 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.391 8.990 -4.004 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.607 7.641 -2.613 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -21.526 9.573 -5.356 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.888 9.109 -6.381 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.381 7.064 -3.928 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -24.498 7.693 -5.574 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.588 9.720 -3.222 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.523 10.701 -3.162 1.00 0.53 C ATOM 1566 C GLY A 103 -13.975 10.828 -1.759 1.00 0.49 C ATOM 1567 O GLY A 103 -13.093 11.642 -1.490 1.00 0.57 O ATOM 0 H GLY A 103 -15.289 8.777 -3.472 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.722 10.414 -3.843 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.897 11.668 -3.498 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.505 10.007 -0.867 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.098 10.006 0.524 1.00 0.44 C ATOM 1573 C GLN A 104 -13.486 8.659 0.875 1.00 0.37 C ATOM 1574 O GLN A 104 -13.966 7.616 0.437 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.302 10.313 1.412 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.959 11.638 1.068 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.113 11.984 1.981 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.785 10.975 2.509 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -17.398 13.157 2.215 1.00 0.98 N flip ATOM 0 H GLN A 104 -15.229 9.324 -1.089 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.346 10.777 0.690 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.035 9.512 1.314 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.985 10.329 2.455 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.213 12.431 1.120 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.316 11.603 0.039 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -16.856 13.908 1.789 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.177 13.379 2.836 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.413 8.683 1.635 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.688 7.469 1.962 1.00 0.32 C ATOM 1590 C GLU A 105 -12.132 6.924 3.312 1.00 0.32 C ATOM 1591 O GLU A 105 -12.083 7.624 4.324 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.192 7.760 1.938 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.725 8.276 0.585 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.398 8.994 0.663 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.393 10.208 0.952 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.350 8.351 0.444 1.00 1.59 O ATOM 0 H GLU A 105 -12.020 9.532 2.041 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.906 6.701 1.220 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.955 8.496 2.706 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.643 6.852 2.187 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.641 7.440 -0.109 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.477 8.953 0.179 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.574 5.673 3.312 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.153 5.059 4.503 1.00 0.27 C ATOM 1605 C PHE A 106 -12.190 4.084 5.161 1.00 0.26 C ATOM 1606 O PHE A 106 -12.480 3.536 6.219 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.455 4.334 4.151 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.320 3.349 3.022 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.983 2.032 3.277 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.523 3.741 1.706 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.852 1.123 2.247 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.394 2.835 0.671 1.00 0.29 C ATOM 1613 CZ PHE A 106 -14.086 1.537 0.929 1.00 0.31 C ATOM 0 H PHE A 106 -12.543 5.060 2.497 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.361 5.861 5.211 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.818 3.810 5.035 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.211 5.074 3.886 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.820 1.711 4.295 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.785 4.766 1.489 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.571 0.101 2.455 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.539 3.160 -0.349 1.00 0.29 H new ATOM 0 HZ PHE A 106 -14.022 0.825 0.119 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.062 3.839 4.525 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.060 2.957 5.095 1.00 0.24 C ATOM 1625 C ILE A 107 -8.682 3.306 4.554 1.00 0.22 C ATOM 1626 O ILE A 107 -8.539 3.691 3.393 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.373 1.458 4.846 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.485 0.579 5.738 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.200 1.097 3.376 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.688 -0.907 5.532 1.00 0.37 C ATOM 0 H ILE A 107 -10.816 4.235 3.618 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.077 3.110 6.174 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.416 1.275 5.107 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.440 0.823 5.546 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.683 0.821 6.782 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.426 0.041 3.232 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.878 1.699 2.771 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.172 1.293 3.072 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -9.026 -1.460 6.198 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.723 -1.167 5.752 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.461 -1.165 4.498 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.680 3.192 5.403 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.315 3.472 5.019 1.00 0.24 C ATOM 1644 C ARG A 108 -5.380 2.470 5.684 1.00 0.24 C ATOM 1645 O ARG A 108 -5.207 2.473 6.905 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.966 4.916 5.403 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.605 5.403 4.927 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.492 4.998 5.878 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.835 5.266 7.276 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.203 6.159 8.038 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.295 6.966 7.501 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.503 6.264 9.327 1.00 0.95 N ATOM 0 H ARG A 108 -7.791 2.903 6.375 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.198 3.371 3.940 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.732 5.578 4.999 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.007 5.006 6.488 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -4.401 4.997 3.936 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.622 6.489 4.830 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -3.280 3.936 5.755 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -2.581 5.537 5.619 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.603 4.738 7.691 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.081 6.903 6.506 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -1.811 7.649 8.084 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.217 5.661 9.735 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.019 6.947 9.909 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.816 1.597 4.872 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.866 0.601 5.339 1.00 0.22 C ATOM 1668 C VAL A 109 -2.445 1.136 5.220 1.00 0.24 C ATOM 1669 O VAL A 109 -2.062 1.648 4.177 1.00 0.38 O ATOM 1670 CB VAL A 109 -3.991 -0.700 4.517 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.895 -1.687 4.882 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.363 -1.327 4.713 1.00 0.27 C ATOM 0 H VAL A 109 -5.002 1.557 3.870 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.088 0.384 6.384 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.875 -0.444 3.464 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.009 -2.593 4.287 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.921 -1.240 4.680 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -2.968 -1.936 5.941 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.432 -2.243 4.126 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.509 -1.560 5.768 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.133 -0.628 4.386 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.684 1.038 6.293 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.308 1.480 6.269 1.00 0.25 C ATOM 1684 C GLY A 110 0.658 0.365 6.593 1.00 0.21 C ATOM 1685 O GLY A 110 0.690 -0.127 7.719 1.00 0.27 O ATOM 0 H GLY A 110 -1.995 0.658 7.187 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.076 1.884 5.284 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.177 2.291 6.985 1.00 0.25 H new ATOM 1689 N TYR A 111 1.430 -0.052 5.609 1.00 0.23 N ATOM 1690 CA TYR A 111 2.433 -1.079 5.821 1.00 0.24 C ATOM 1691 C TYR A 111 3.826 -0.484 5.799 1.00 0.23 C ATOM 1692 O TYR A 111 4.239 0.132 4.817 1.00 0.27 O ATOM 1693 CB TYR A 111 2.306 -2.191 4.780 1.00 0.32 C ATOM 1694 CG TYR A 111 1.227 -3.185 5.119 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.280 -3.931 6.286 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.153 -3.381 4.261 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.292 -4.847 6.589 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.838 -4.293 4.556 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.760 -5.013 5.763 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.752 -5.931 6.019 1.00 0.40 O ATOM 0 H TYR A 111 1.383 0.304 4.654 1.00 0.23 H new ATOM 0 HA TYR A 111 2.263 -1.515 6.805 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.094 -1.749 3.806 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.260 -2.712 4.693 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.106 -3.794 6.968 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.093 -2.809 3.347 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.363 -5.434 7.493 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.659 -4.452 3.873 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.847 -6.048 6.987 1.00 0.40 H new ATOM 1710 N TYR A 112 4.540 -0.653 6.895 1.00 0.25 N ATOM 1711 CA TYR A 112 5.887 -0.133 7.008 1.00 0.25 C ATOM 1712 C TYR A 112 6.871 -1.089 6.354 1.00 0.27 C ATOM 1713 O TYR A 112 7.100 -2.194 6.842 1.00 0.33 O ATOM 1714 CB TYR A 112 6.262 0.075 8.478 1.00 0.29 C ATOM 1715 CG TYR A 112 5.388 1.077 9.203 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.083 0.764 9.569 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.875 2.336 9.528 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.292 1.675 10.240 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.089 3.253 10.198 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.799 2.919 10.550 1.00 0.64 C ATOM 1721 OH TYR A 112 3.014 3.828 11.224 1.00 0.78 O ATOM 0 H TYR A 112 4.207 -1.148 7.722 1.00 0.25 H new ATOM 0 HA TYR A 112 5.930 0.829 6.498 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.205 -0.883 8.996 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.299 0.406 8.534 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.682 -0.208 9.324 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.885 2.603 9.252 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.282 1.415 10.520 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.484 4.228 10.445 1.00 0.60 H new ATOM 0 HH TYR A 112 3.520 4.655 11.366 1.00 0.78 H new ATOM 1731 N VAL A 113 7.438 -0.673 5.242 1.00 0.27 N ATOM 1732 CA VAL A 113 8.426 -1.474 4.559 1.00 0.31 C ATOM 1733 C VAL A 113 9.825 -1.034 4.962 1.00 0.28 C ATOM 1734 O VAL A 113 10.200 0.129 4.792 1.00 0.31 O ATOM 1735 CB VAL A 113 8.272 -1.414 3.021 1.00 0.42 C ATOM 1736 CG1 VAL A 113 8.154 0.019 2.523 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.440 -2.116 2.351 1.00 1.19 C ATOM 0 H VAL A 113 7.230 0.218 4.792 1.00 0.27 H new ATOM 0 HA VAL A 113 8.267 -2.510 4.860 1.00 0.31 H new ATOM 0 HB VAL A 113 7.348 -1.929 2.757 1.00 0.42 H new ATOM 0 HG11 VAL A 113 8.047 0.020 1.438 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.280 0.490 2.974 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.050 0.575 2.800 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.321 -2.068 1.269 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.371 -1.626 2.636 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.467 -3.159 2.667 1.00 1.19 H new ATOM 1747 N ASN A 114 10.577 -1.954 5.531 1.00 0.29 N ATOM 1748 CA ASN A 114 11.952 -1.678 5.887 1.00 0.32 C ATOM 1749 C ASN A 114 12.844 -2.080 4.726 1.00 0.32 C ATOM 1750 O ASN A 114 12.911 -3.257 4.363 1.00 0.35 O ATOM 1751 CB ASN A 114 12.343 -2.444 7.156 1.00 0.42 C ATOM 1752 CG ASN A 114 13.605 -1.906 7.802 1.00 0.84 C ATOM 1753 OD1 ASN A 114 14.712 -2.264 7.421 1.00 1.63 O ATOM 1754 ND2 ASN A 114 13.443 -1.065 8.812 1.00 1.28 N ATOM 0 H ASN A 114 10.259 -2.897 5.756 1.00 0.29 H new ATOM 0 HA ASN A 114 12.072 -0.614 6.091 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.523 -2.393 7.873 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.486 -3.496 6.910 1.00 0.42 H new ATOM 0 HD21 ASN A 114 14.257 -0.693 9.301 1.00 1.28 H new ATOM 0 HD22 ASN A 114 12.504 -0.790 9.101 1.00 1.28 H new ATOM 1761 N ASN A 115 13.490 -1.103 4.116 1.00 0.34 N ATOM 1762 CA ASN A 115 14.293 -1.362 2.937 1.00 0.39 C ATOM 1763 C ASN A 115 15.748 -1.545 3.325 1.00 0.43 C ATOM 1764 O ASN A 115 16.420 -0.609 3.763 1.00 0.50 O ATOM 1765 CB ASN A 115 14.157 -0.239 1.906 1.00 0.48 C ATOM 1766 CG ASN A 115 12.718 0.020 1.498 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.184 -0.638 0.605 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.087 0.995 2.136 1.00 0.60 N ATOM 0 H ASN A 115 13.474 -0.128 4.416 1.00 0.34 H new ATOM 0 HA ASN A 115 13.926 -2.280 2.478 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.583 0.677 2.316 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.740 -0.493 1.021 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.123 1.224 1.893 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.565 1.517 2.871 1.00 0.60 H new ATOM 1775 N GLU A 116 16.216 -2.763 3.162 1.00 0.42 N ATOM 1776 CA GLU A 116 17.579 -3.127 3.491 1.00 0.50 C ATOM 1777 C GLU A 116 18.249 -3.658 2.243 1.00 0.45 C ATOM 1778 O GLU A 116 17.577 -3.945 1.267 1.00 0.54 O ATOM 1779 CB GLU A 116 17.608 -4.201 4.580 1.00 0.69 C ATOM 1780 CG GLU A 116 17.029 -3.759 5.912 1.00 1.26 C ATOM 1781 CD GLU A 116 17.183 -4.817 6.984 1.00 1.58 C ATOM 1782 OE1 GLU A 116 16.372 -5.765 7.021 1.00 1.87 O ATOM 1783 OE2 GLU A 116 18.143 -4.724 7.780 1.00 1.97 O ATOM 0 H GLU A 116 15.659 -3.535 2.795 1.00 0.42 H new ATOM 0 HA GLU A 116 18.104 -2.248 3.864 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.055 -5.072 4.229 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.640 -4.518 4.733 1.00 0.69 H new ATOM 0 HG2 GLU A 116 17.524 -2.843 6.235 1.00 1.26 H new ATOM 0 HG3 GLU A 116 15.972 -3.523 5.786 1.00 1.26 H new ATOM 1790 N TYR A 117 19.557 -3.794 2.258 1.00 0.46 N ATOM 1791 CA TYR A 117 20.243 -4.377 1.130 1.00 0.46 C ATOM 1792 C TYR A 117 20.092 -5.893 1.151 1.00 0.52 C ATOM 1793 O TYR A 117 19.911 -6.497 2.208 1.00 0.60 O ATOM 1794 CB TYR A 117 21.712 -3.973 1.130 1.00 0.48 C ATOM 1795 CG TYR A 117 21.923 -2.479 1.019 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.757 -1.819 -0.193 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.294 -1.730 2.125 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.955 -0.457 -0.293 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.495 -0.370 2.031 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.325 0.261 0.822 1.00 0.60 C ATOM 1801 OH TYR A 117 22.529 1.617 0.729 1.00 0.69 O ATOM 0 H TYR A 117 20.160 -3.512 3.031 1.00 0.46 H new ATOM 0 HA TYR A 117 19.793 -4.001 0.211 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.180 -4.332 2.047 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.217 -4.467 0.300 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.469 -2.380 -1.069 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.428 -2.221 3.077 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.820 0.043 -1.241 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.785 0.197 2.903 1.00 0.59 H new ATOM 0 HH TYR A 117 22.784 1.970 1.607 1.00 0.69 H new ATOM 1811 N THR A 118 20.150 -6.492 -0.021 1.00 0.54 N ATOM 1812 CA THR A 118 19.984 -7.924 -0.163 1.00 0.65 C ATOM 1813 C THR A 118 21.270 -8.632 0.215 1.00 0.74 C ATOM 1814 O THR A 118 21.262 -9.669 0.884 1.00 0.84 O ATOM 1815 CB THR A 118 19.599 -8.281 -1.609 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.509 -7.651 -2.521 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.182 -7.831 -1.921 1.00 0.77 C ATOM 0 H THR A 118 20.313 -6.001 -0.900 1.00 0.54 H new ATOM 0 HA THR A 118 19.184 -8.249 0.502 1.00 0.65 H new ATOM 0 HB THR A 118 19.653 -9.364 -1.719 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.262 -7.882 -3.441 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.934 -8.095 -2.949 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.486 -8.324 -1.242 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.107 -6.751 -1.796 1.00 0.77 H new ATOM 1825 N GLU A 119 22.379 -8.044 -0.207 1.00 0.78 N ATOM 1826 CA GLU A 119 23.688 -8.575 0.109 1.00 0.92 C ATOM 1827 C GLU A 119 24.044 -8.279 1.553 1.00 0.95 C ATOM 1828 O GLU A 119 23.965 -7.132 2.000 1.00 0.90 O ATOM 1829 CB GLU A 119 24.744 -7.994 -0.829 1.00 1.00 C ATOM 1830 CG GLU A 119 24.654 -8.540 -2.242 1.00 1.29 C ATOM 1831 CD GLU A 119 24.713 -10.053 -2.271 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.655 -10.627 -1.686 1.00 1.67 O ATOM 1833 OE2 GLU A 119 23.829 -10.676 -2.897 1.00 2.24 O ATOM 0 H GLU A 119 22.394 -7.195 -0.772 1.00 0.78 H new ATOM 0 HA GLU A 119 23.663 -9.656 -0.028 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.638 -6.910 -0.858 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.734 -8.207 -0.427 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.724 -8.205 -2.702 1.00 1.29 H new ATOM 0 HG3 GLU A 119 25.470 -8.134 -2.840 1.00 1.29 H new ATOM 1840 N THR A 120 24.430 -9.323 2.272 1.00 1.07 N ATOM 1841 CA THR A 120 24.810 -9.209 3.670 1.00 1.14 C ATOM 1842 C THR A 120 25.885 -8.139 3.853 1.00 1.12 C ATOM 1843 O THR A 120 25.840 -7.358 4.807 1.00 1.13 O ATOM 1844 CB THR A 120 25.329 -10.563 4.191 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.370 -11.590 3.904 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.596 -10.517 5.688 1.00 1.41 C ATOM 0 H THR A 120 24.488 -10.272 1.902 1.00 1.07 H new ATOM 0 HA THR A 120 23.928 -8.918 4.241 1.00 1.14 H new ATOM 0 HB THR A 120 26.270 -10.782 3.686 1.00 1.31 H new ATOM 0 HG1 THR A 120 24.703 -12.450 4.235 1.00 1.36 H new ATOM 0 HG21 THR A 120 25.961 -11.488 6.023 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.346 -9.755 5.901 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.673 -10.275 6.215 1.00 1.41 H new ATOM 1854 N GLU A 121 26.823 -8.089 2.911 1.00 1.13 N ATOM 1855 CA GLU A 121 27.909 -7.117 2.946 1.00 1.14 C ATOM 1856 C GLU A 121 27.373 -5.689 2.921 1.00 1.03 C ATOM 1857 O GLU A 121 27.839 -4.826 3.667 1.00 1.09 O ATOM 1858 CB GLU A 121 28.842 -7.327 1.755 1.00 1.18 C ATOM 1859 CG GLU A 121 30.016 -6.368 1.728 1.00 1.27 C ATOM 1860 CD GLU A 121 30.739 -6.372 0.401 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.377 -7.392 0.068 1.00 2.05 O ATOM 1862 OE2 GLU A 121 30.673 -5.353 -0.317 1.00 2.21 O ATOM 0 H GLU A 121 26.851 -8.717 2.108 1.00 1.13 H new ATOM 0 HA GLU A 121 28.459 -7.266 3.875 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.219 -8.349 1.775 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.271 -7.216 0.833 1.00 1.18 H new ATOM 0 HG2 GLU A 121 29.662 -5.360 1.941 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.716 -6.634 2.520 1.00 1.27 H new ATOM 1869 N LEU A 122 26.377 -5.448 2.074 1.00 0.90 N ATOM 1870 CA LEU A 122 25.851 -4.107 1.891 1.00 0.82 C ATOM 1871 C LEU A 122 25.007 -3.699 3.088 1.00 0.82 C ATOM 1872 O LEU A 122 24.874 -2.518 3.389 1.00 0.83 O ATOM 1873 CB LEU A 122 25.032 -4.026 0.601 1.00 0.75 C ATOM 1874 CG LEU A 122 25.814 -4.298 -0.685 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.897 -4.212 -1.896 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.970 -3.321 -0.823 1.00 0.87 C ATOM 0 H LEU A 122 25.922 -6.163 1.507 1.00 0.90 H new ATOM 0 HA LEU A 122 26.689 -3.414 1.810 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.211 -4.740 0.666 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.587 -3.033 0.534 1.00 0.75 H new ATOM 0 HG LEU A 122 26.221 -5.308 -0.632 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.471 -4.408 -2.802 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.101 -4.951 -1.803 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.461 -3.215 -1.952 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.515 -3.530 -1.744 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.584 -2.302 -0.853 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.642 -3.429 0.029 1.00 0.87 H new ATOM 1888 N ARG A 123 24.458 -4.687 3.785 1.00 0.86 N ATOM 1889 CA ARG A 123 23.683 -4.418 4.989 1.00 0.94 C ATOM 1890 C ARG A 123 24.605 -3.924 6.090 1.00 1.11 C ATOM 1891 O ARG A 123 24.220 -3.102 6.924 1.00 1.19 O ATOM 1892 CB ARG A 123 22.956 -5.672 5.468 1.00 0.98 C ATOM 1893 CG ARG A 123 21.999 -6.260 4.455 1.00 0.89 C ATOM 1894 CD ARG A 123 21.214 -7.417 5.051 1.00 1.00 C ATOM 1895 NE ARG A 123 20.288 -6.970 6.095 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.011 -7.667 7.199 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.596 -8.841 7.413 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.150 -7.188 8.091 1.00 2.03 N ATOM 0 H ARG A 123 24.534 -5.674 3.539 1.00 0.86 H new ATOM 0 HA ARG A 123 22.941 -3.656 4.751 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.695 -6.428 5.734 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.404 -5.433 6.377 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.310 -5.489 4.110 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.554 -6.604 3.583 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.656 -7.921 4.262 1.00 1.00 H new ATOM 0 HD3 ARG A 123 21.906 -8.148 5.469 1.00 1.00 H new ATOM 0 HE ARG A 123 19.826 -6.069 5.970 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.259 -9.212 6.732 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.382 -9.371 8.258 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.700 -6.287 7.932 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.939 -7.722 8.934 1.00 2.03 H new ATOM 1912 N GLU A 124 25.821 -4.448 6.090 1.00 1.20 N ATOM 1913 CA GLU A 124 26.818 -4.074 7.077 1.00 1.39 C ATOM 1914 C GLU A 124 27.409 -2.706 6.745 1.00 1.37 C ATOM 1915 O GLU A 124 27.716 -1.921 7.640 1.00 1.49 O ATOM 1916 CB GLU A 124 27.930 -5.125 7.131 1.00 1.53 C ATOM 1917 CG GLU A 124 27.434 -6.541 7.389 1.00 1.66 C ATOM 1918 CD GLU A 124 26.765 -6.707 8.741 1.00 2.03 C ATOM 1919 OE1 GLU A 124 25.564 -6.377 8.865 1.00 2.84 O ATOM 1920 OE2 GLU A 124 27.428 -7.197 9.677 1.00 2.06 O ATOM 0 H GLU A 124 26.141 -5.139 5.411 1.00 1.20 H new ATOM 0 HA GLU A 124 26.335 -4.020 8.053 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.477 -5.109 6.188 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.637 -4.851 7.914 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.729 -6.820 6.606 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.275 -7.231 7.321 1.00 1.66 H new ATOM 1927 N ASN A 125 27.555 -2.419 5.455 1.00 1.27 N ATOM 1928 CA ASN A 125 28.130 -1.151 5.019 1.00 1.30 C ATOM 1929 C ASN A 125 27.294 -0.519 3.916 1.00 1.14 C ATOM 1930 O ASN A 125 27.480 -0.839 2.741 1.00 1.10 O ATOM 1931 CB ASN A 125 29.567 -1.338 4.510 1.00 1.45 C ATOM 1932 CG ASN A 125 30.538 -1.766 5.593 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.123 -0.932 6.285 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.730 -3.070 5.731 1.00 1.62 N ATOM 0 H ASN A 125 27.284 -3.044 4.696 1.00 1.27 H new ATOM 0 HA ASN A 125 28.139 -0.492 5.887 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.569 -2.084 3.715 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.914 -0.403 4.070 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.384 -3.418 6.432 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.224 -3.726 5.136 1.00 1.62 H new ATOM 1941 N PRO A 126 26.336 0.351 4.277 1.00 1.13 N ATOM 1942 CA PRO A 126 25.576 1.135 3.301 1.00 1.06 C ATOM 1943 C PRO A 126 26.484 2.080 2.524 1.00 1.09 C ATOM 1944 O PRO A 126 27.103 2.973 3.106 1.00 1.19 O ATOM 1945 CB PRO A 126 24.585 1.938 4.154 1.00 1.15 C ATOM 1946 CG PRO A 126 24.522 1.205 5.451 1.00 1.23 C ATOM 1947 CD PRO A 126 25.892 0.620 5.653 1.00 1.24 C ATOM 0 HA PRO A 126 25.088 0.502 2.560 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.925 2.964 4.295 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.605 1.989 3.680 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.258 1.877 6.268 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.763 0.424 5.423 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.558 1.315 6.164 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.859 -0.290 6.253 1.00 1.24 H new ATOM 1955 N PRO A 127 26.597 1.872 1.209 1.00 1.05 N ATOM 1956 CA PRO A 127 27.408 2.723 0.337 1.00 1.13 C ATOM 1957 C PRO A 127 26.843 4.139 0.246 1.00 1.19 C ATOM 1958 O PRO A 127 25.692 4.374 0.615 1.00 1.14 O ATOM 1959 CB PRO A 127 27.343 2.012 -1.025 1.00 1.11 C ATOM 1960 CG PRO A 127 26.860 0.634 -0.716 1.00 1.01 C ATOM 1961 CD PRO A 127 25.952 0.788 0.462 1.00 0.97 C ATOM 0 HA PRO A 127 28.426 2.846 0.705 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.664 2.525 -1.706 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.321 1.989 -1.506 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.331 0.203 -1.566 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.692 -0.032 -0.487 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.937 1.048 0.162 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.887 -0.128 1.049 1.00 0.97 H new ATOM 1969 N VAL A 128 27.665 5.070 -0.238 1.00 1.34 N ATOM 1970 CA VAL A 128 27.295 6.485 -0.321 1.00 1.44 C ATOM 1971 C VAL A 128 25.935 6.686 -0.992 1.00 1.22 C ATOM 1972 O VAL A 128 25.177 7.576 -0.616 1.00 1.28 O ATOM 1973 CB VAL A 128 28.379 7.299 -1.071 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.575 6.788 -2.494 1.00 1.92 C ATOM 1975 CG2 VAL A 128 28.037 8.781 -1.077 1.00 2.16 C ATOM 0 H VAL A 128 28.603 4.867 -0.583 1.00 1.34 H new ATOM 0 HA VAL A 128 27.220 6.851 0.703 1.00 1.44 H new ATOM 0 HB VAL A 128 29.319 7.165 -0.536 1.00 1.71 H new ATOM 0 HG11 VAL A 128 29.342 7.381 -2.991 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.885 5.744 -2.466 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.638 6.873 -3.044 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.813 9.331 -1.609 1.00 2.16 H new ATOM 0 HG22 VAL A 128 27.079 8.931 -1.575 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.974 9.144 -0.051 1.00 2.16 H new ATOM 1985 N LYS A 129 25.632 5.849 -1.973 1.00 1.07 N ATOM 1986 CA LYS A 129 24.352 5.906 -2.655 1.00 0.88 C ATOM 1987 C LYS A 129 23.617 4.582 -2.507 1.00 0.76 C ATOM 1988 O LYS A 129 24.175 3.525 -2.811 1.00 0.80 O ATOM 1989 CB LYS A 129 24.545 6.240 -4.137 1.00 1.00 C ATOM 1990 CG LYS A 129 24.934 7.688 -4.389 1.00 1.12 C ATOM 1991 CD LYS A 129 23.842 8.629 -3.914 1.00 1.29 C ATOM 1992 CE LYS A 129 24.223 10.086 -4.100 1.00 1.46 C ATOM 1993 NZ LYS A 129 23.178 11.001 -3.567 1.00 1.96 N ATOM 0 H LYS A 129 26.259 5.120 -2.314 1.00 1.07 H new ATOM 0 HA LYS A 129 23.754 6.694 -2.198 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.315 5.589 -4.550 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.621 6.022 -4.673 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.866 7.914 -3.871 1.00 1.12 H new ATOM 0 HG3 LYS A 129 25.115 7.841 -5.453 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.923 8.422 -4.462 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.635 8.441 -2.861 1.00 1.29 H new ATOM 0 HE2 LYS A 129 25.169 10.282 -3.596 1.00 1.46 H new ATOM 0 HE3 LYS A 129 24.378 10.289 -5.160 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.618 11.895 -3.270 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 22.473 11.192 -4.307 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 22.711 10.557 -2.751 1.00 1.96 H new ATOM 2007 N PRO A 130 22.367 4.619 -2.014 1.00 0.66 N ATOM 2008 CA PRO A 130 21.529 3.426 -1.893 1.00 0.57 C ATOM 2009 C PRO A 130 21.264 2.784 -3.246 1.00 0.52 C ATOM 2010 O PRO A 130 21.278 3.455 -4.279 1.00 0.64 O ATOM 2011 CB PRO A 130 20.222 3.953 -1.295 1.00 0.55 C ATOM 2012 CG PRO A 130 20.227 5.411 -1.602 1.00 0.64 C ATOM 2013 CD PRO A 130 21.667 5.825 -1.538 1.00 0.71 C ATOM 0 HA PRO A 130 22.004 2.656 -1.286 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.357 3.458 -1.736 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.178 3.775 -0.221 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.805 5.607 -2.588 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.626 5.966 -0.882 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.870 6.688 -2.172 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.967 6.095 -0.526 1.00 0.71 H new ATOM 2021 N ASP A 131 21.013 1.489 -3.244 1.00 0.45 N ATOM 2022 CA ASP A 131 20.761 0.774 -4.480 1.00 0.45 C ATOM 2023 C ASP A 131 19.427 0.064 -4.404 1.00 0.39 C ATOM 2024 O ASP A 131 19.215 -0.802 -3.557 1.00 0.39 O ATOM 2025 CB ASP A 131 21.877 -0.224 -4.786 1.00 0.53 C ATOM 2026 CG ASP A 131 21.686 -0.914 -6.127 1.00 0.82 C ATOM 2027 OD1 ASP A 131 20.820 -0.477 -6.918 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.392 -1.900 -6.396 1.00 1.06 O ATOM 0 H ASP A 131 20.978 0.912 -2.403 1.00 0.45 H new ATOM 0 HA ASP A 131 20.735 1.501 -5.292 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.836 0.294 -4.781 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.916 -0.975 -3.997 1.00 0.53 H new ATOM 2033 N PHE A 132 18.537 0.442 -5.299 1.00 0.38 N ATOM 2034 CA PHE A 132 17.183 -0.077 -5.316 1.00 0.35 C ATOM 2035 C PHE A 132 17.156 -1.481 -5.909 1.00 0.37 C ATOM 2036 O PHE A 132 16.231 -2.254 -5.669 1.00 0.38 O ATOM 2037 CB PHE A 132 16.286 0.877 -6.112 1.00 0.38 C ATOM 2038 CG PHE A 132 16.243 2.269 -5.538 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.284 3.157 -5.753 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.155 2.690 -4.789 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.240 4.437 -5.233 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.103 3.968 -4.269 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.178 4.836 -4.470 1.00 0.46 C ATOM 0 H PHE A 132 18.732 1.119 -6.037 1.00 0.38 H new ATOM 0 HA PHE A 132 16.807 -0.145 -4.295 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.642 0.926 -7.141 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.274 0.473 -6.144 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.140 2.846 -6.334 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.336 2.009 -4.610 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.049 5.125 -5.430 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.238 4.294 -3.711 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.171 5.820 -4.024 1.00 0.46 H new ATOM 2053 N SER A 133 18.186 -1.807 -6.676 1.00 0.42 N ATOM 2054 CA SER A 133 18.320 -3.138 -7.253 1.00 0.47 C ATOM 2055 C SER A 133 18.930 -4.098 -6.234 1.00 0.48 C ATOM 2056 O SER A 133 18.900 -5.314 -6.412 1.00 0.62 O ATOM 2057 CB SER A 133 19.174 -3.085 -8.523 1.00 0.54 C ATOM 2058 OG SER A 133 19.253 -4.354 -9.154 1.00 1.46 O ATOM 0 H SER A 133 18.943 -1.167 -6.914 1.00 0.42 H new ATOM 0 HA SER A 133 17.329 -3.504 -7.521 1.00 0.47 H new ATOM 0 HB2 SER A 133 18.750 -2.359 -9.217 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.177 -2.739 -8.273 1.00 0.54 H new ATOM 0 HG SER A 133 19.119 -5.060 -8.487 1.00 1.46 H new ATOM 2064 N LYS A 134 19.464 -3.541 -5.157 1.00 0.40 N ATOM 2065 CA LYS A 134 20.045 -4.343 -4.092 1.00 0.43 C ATOM 2066 C LYS A 134 19.241 -4.146 -2.838 1.00 0.39 C ATOM 2067 O LYS A 134 19.713 -4.397 -1.737 1.00 0.46 O ATOM 2068 CB LYS A 134 21.501 -3.957 -3.825 1.00 0.48 C ATOM 2069 CG LYS A 134 22.485 -4.554 -4.819 1.00 0.65 C ATOM 2070 CD LYS A 134 22.459 -6.073 -4.780 1.00 0.78 C ATOM 2071 CE LYS A 134 23.370 -6.677 -5.837 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.913 -6.357 -7.215 1.00 1.87 N ATOM 0 H LYS A 134 19.507 -2.534 -4.998 1.00 0.40 H new ATOM 0 HA LYS A 134 20.026 -5.388 -4.401 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.589 -2.871 -3.848 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.774 -4.278 -2.820 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.243 -4.210 -5.825 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.491 -4.200 -4.595 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.768 -6.417 -3.793 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.439 -6.424 -4.935 1.00 0.78 H new ATOM 0 HE2 LYS A 134 24.385 -6.305 -5.696 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.406 -7.759 -5.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 23.394 -6.981 -7.894 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 21.885 -6.500 -7.282 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 23.140 -5.366 -7.435 1.00 1.87 H new ATOM 2086 N LEU A 135 18.019 -3.692 -3.015 1.00 0.41 N ATOM 2087 CA LEU A 135 17.175 -3.384 -1.893 1.00 0.40 C ATOM 2088 C LEU A 135 16.066 -4.408 -1.770 1.00 0.41 C ATOM 2089 O LEU A 135 15.290 -4.627 -2.702 1.00 0.46 O ATOM 2090 CB LEU A 135 16.601 -1.981 -2.031 1.00 0.41 C ATOM 2091 CG LEU A 135 16.600 -1.162 -0.749 1.00 0.36 C ATOM 2092 CD1 LEU A 135 18.025 -0.937 -0.257 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.897 0.159 -0.977 1.00 0.74 C ATOM 0 H LEU A 135 17.593 -3.530 -3.927 1.00 0.41 H new ATOM 0 HA LEU A 135 17.776 -3.420 -0.984 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.172 -1.443 -2.788 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.577 -2.057 -2.397 1.00 0.41 H new ATOM 0 HG LEU A 135 16.060 -1.715 0.020 1.00 0.36 H new ATOM 0 HD11 LEU A 135 18.005 -0.349 0.661 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.499 -1.899 -0.061 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.592 -0.401 -1.018 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.902 0.738 -0.053 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.415 0.717 -1.757 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.868 -0.025 -1.285 1.00 0.74 H new ATOM 2105 N GLN A 136 16.017 -5.040 -0.620 1.00 0.40 N ATOM 2106 CA GLN A 136 15.018 -6.034 -0.319 1.00 0.41 C ATOM 2107 C GLN A 136 13.953 -5.396 0.546 1.00 0.38 C ATOM 2108 O GLN A 136 14.239 -4.925 1.647 1.00 0.44 O ATOM 2109 CB GLN A 136 15.640 -7.217 0.423 1.00 0.46 C ATOM 2110 CG GLN A 136 14.801 -8.478 0.352 1.00 0.58 C ATOM 2111 CD GLN A 136 14.941 -9.350 1.584 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.127 -8.723 2.733 1.00 1.63 O flip ATOM 2113 NE2 GLN A 136 14.856 -10.574 1.507 1.00 0.72 N flip ATOM 0 H GLN A 136 16.678 -4.875 0.140 1.00 0.40 H new ATOM 0 HA GLN A 136 14.584 -6.404 -1.248 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.626 -7.421 0.005 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.787 -6.945 1.468 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.754 -8.205 0.224 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.091 -9.052 -0.528 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.712 -11.019 0.601 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.929 -11.144 2.349 1.00 0.72 H new ATOM 2122 N ARG A 137 12.740 -5.357 0.043 1.00 0.36 N ATOM 2123 CA ARG A 137 11.644 -4.782 0.784 1.00 0.35 C ATOM 2124 C ARG A 137 11.157 -5.767 1.827 1.00 0.35 C ATOM 2125 O ARG A 137 10.554 -6.791 1.494 1.00 0.39 O ATOM 2126 CB ARG A 137 10.498 -4.407 -0.149 1.00 0.43 C ATOM 2127 CG ARG A 137 10.892 -3.443 -1.250 1.00 1.02 C ATOM 2128 CD ARG A 137 9.669 -2.935 -1.983 1.00 1.29 C ATOM 2129 NE ARG A 137 8.773 -4.025 -2.363 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.299 -4.199 -3.587 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.654 -3.367 -4.553 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.467 -5.198 -3.846 1.00 2.05 N ATOM 0 H ARG A 137 12.489 -5.717 -0.878 1.00 0.36 H new ATOM 0 HA ARG A 137 11.997 -3.876 1.277 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.098 -5.315 -0.601 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.695 -3.963 0.439 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.442 -2.603 -0.825 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.562 -3.940 -1.952 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.133 -2.228 -1.350 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.980 -2.392 -2.875 1.00 1.29 H new ATOM 0 HE ARG A 137 8.496 -4.692 -1.642 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.290 -2.595 -4.353 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.291 -3.497 -5.497 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.189 -5.837 -3.101 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.104 -5.328 -4.791 1.00 2.05 H new ATOM 2146 N ASN A 138 11.472 -5.472 3.080 1.00 0.35 N ATOM 2147 CA ASN A 138 10.989 -6.254 4.203 1.00 0.39 C ATOM 2148 C ASN A 138 9.788 -5.548 4.818 1.00 0.39 C ATOM 2149 O ASN A 138 9.928 -4.685 5.689 1.00 0.49 O ATOM 2150 CB ASN A 138 12.104 -6.441 5.241 1.00 0.45 C ATOM 2151 CG ASN A 138 11.706 -7.354 6.386 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.918 -8.568 6.331 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.136 -6.777 7.434 1.00 0.67 N ATOM 0 H ASN A 138 12.067 -4.687 3.344 1.00 0.35 H new ATOM 0 HA ASN A 138 10.685 -7.243 3.859 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.986 -6.850 4.748 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.386 -5.467 5.642 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.854 -7.341 8.236 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.979 -5.769 7.439 1.00 0.67 H new ATOM 2160 N ILE A 139 8.611 -5.884 4.322 1.00 0.37 N ATOM 2161 CA ILE A 139 7.383 -5.242 4.753 1.00 0.36 C ATOM 2162 C ILE A 139 6.934 -5.798 6.093 1.00 0.37 C ATOM 2163 O ILE A 139 6.662 -6.988 6.232 1.00 0.46 O ATOM 2164 CB ILE A 139 6.266 -5.422 3.706 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.770 -4.954 2.336 1.00 0.42 C ATOM 2166 CG2 ILE A 139 5.019 -4.648 4.115 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.782 -5.158 1.204 1.00 0.48 C ATOM 0 H ILE A 139 8.480 -6.605 3.613 1.00 0.37 H new ATOM 0 HA ILE A 139 7.584 -4.176 4.861 1.00 0.36 H new ATOM 0 HB ILE A 139 5.999 -6.477 3.645 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.021 -3.895 2.397 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.691 -5.487 2.099 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.242 -4.787 3.364 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.663 -5.014 5.078 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.259 -3.588 4.196 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.218 -4.800 0.271 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.548 -6.219 1.112 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.868 -4.602 1.414 1.00 0.48 H new ATOM 2179 N LEU A 140 6.873 -4.927 7.081 1.00 0.35 N ATOM 2180 CA LEU A 140 6.478 -5.317 8.422 1.00 0.39 C ATOM 2181 C LEU A 140 4.966 -5.495 8.506 1.00 0.36 C ATOM 2182 O LEU A 140 4.246 -4.615 8.974 1.00 0.37 O ATOM 2183 CB LEU A 140 6.954 -4.280 9.444 1.00 0.47 C ATOM 2184 CG LEU A 140 8.470 -4.068 9.499 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.812 -2.906 10.420 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.168 -5.336 9.966 1.00 0.99 C ATOM 0 H LEU A 140 7.094 -3.936 6.980 1.00 0.35 H new ATOM 0 HA LEU A 140 6.949 -6.272 8.654 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.478 -3.326 9.219 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.609 -4.583 10.433 1.00 0.47 H new ATOM 0 HG LEU A 140 8.821 -3.829 8.495 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.893 -2.769 10.447 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.341 -1.996 10.048 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.448 -3.119 11.425 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.244 -5.168 9.999 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.811 -5.602 10.961 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.949 -6.148 9.273 1.00 0.99 H new ATOM 2198 N ALA A 141 4.495 -6.639 8.027 1.00 0.39 N ATOM 2199 CA ALA A 141 3.071 -6.955 8.037 1.00 0.42 C ATOM 2200 C ALA A 141 2.577 -7.231 9.452 1.00 0.49 C ATOM 2201 O ALA A 141 1.376 -7.271 9.703 1.00 0.55 O ATOM 2202 CB ALA A 141 2.790 -8.143 7.133 1.00 0.48 C ATOM 0 H ALA A 141 5.083 -7.369 7.624 1.00 0.39 H new ATOM 0 HA ALA A 141 2.529 -6.089 7.658 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.724 -8.369 7.149 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.095 -7.905 6.114 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.350 -9.009 7.486 1.00 0.48 H new ATOM 2208 N SER A 142 3.515 -7.419 10.373 1.00 0.52 N ATOM 2209 CA SER A 142 3.184 -7.631 11.772 1.00 0.62 C ATOM 2210 C SER A 142 2.800 -6.313 12.443 1.00 0.61 C ATOM 2211 O SER A 142 2.245 -6.302 13.543 1.00 0.70 O ATOM 2212 CB SER A 142 4.363 -8.293 12.488 1.00 0.72 C ATOM 2213 OG SER A 142 5.600 -7.785 12.007 1.00 1.42 O ATOM 0 H SER A 142 4.515 -7.428 10.172 1.00 0.52 H new ATOM 0 HA SER A 142 2.322 -8.295 11.836 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.286 -8.118 13.561 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.325 -9.372 12.337 1.00 0.72 H new ATOM 0 HG SER A 142 5.914 -8.340 11.263 1.00 1.42 H new ATOM 2219 N ASN A 143 3.091 -5.207 11.767 1.00 0.56 N ATOM 2220 CA ASN A 143 2.678 -3.891 12.237 1.00 0.60 C ATOM 2221 C ASN A 143 1.865 -3.189 11.154 1.00 0.49 C ATOM 2222 O ASN A 143 2.387 -2.369 10.397 1.00 0.49 O ATOM 2223 CB ASN A 143 3.889 -3.036 12.632 1.00 0.74 C ATOM 2224 CG ASN A 143 3.487 -1.670 13.165 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.415 -1.505 13.751 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.343 -0.676 12.969 1.00 1.91 N ATOM 0 H ASN A 143 3.612 -5.196 10.890 1.00 0.56 H new ATOM 0 HA ASN A 143 2.060 -4.022 13.125 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.470 -3.562 13.390 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.538 -2.908 11.765 1.00 0.74 H new ATOM 0 HD21 ASN A 143 4.123 0.261 13.307 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.221 -0.848 12.480 1.00 1.91 H new ATOM 2233 N PRO A 144 0.578 -3.538 11.039 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.306 -2.957 10.054 1.00 0.43 C ATOM 2235 C PRO A 144 -1.043 -1.740 10.596 1.00 0.39 C ATOM 2236 O PRO A 144 -1.861 -1.852 11.510 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.286 -4.095 9.756 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.210 -5.035 10.927 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.125 -4.537 11.850 1.00 0.60 C ATOM 0 HA PRO A 144 0.228 -2.596 9.175 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.299 -3.713 9.629 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.020 -4.605 8.830 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.167 -5.074 11.448 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.989 -6.048 10.590 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.539 -4.098 12.758 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.540 -5.343 12.160 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.740 -0.579 10.041 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.419 0.645 10.430 1.00 0.33 C ATOM 2249 C ARG A 145 -2.798 0.686 9.788 1.00 0.30 C ATOM 2250 O ARG A 145 -2.983 1.243 8.710 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.600 1.882 10.026 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.240 3.201 10.436 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.433 3.280 11.940 1.00 1.21 C ATOM 2254 NE ARG A 145 -2.225 4.443 12.335 1.00 1.63 N ATOM 2255 CZ ARG A 145 -3.160 4.408 13.283 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -3.376 3.290 13.962 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -3.865 5.497 13.559 1.00 3.15 N ATOM 0 H ARG A 145 -0.029 -0.458 9.320 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.526 0.658 11.515 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.390 1.814 10.476 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.460 1.877 8.945 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.614 4.029 10.104 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.203 3.310 9.938 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.925 2.372 12.290 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -0.459 3.323 12.428 1.00 1.21 H new ATOM 0 HE ARG A 145 -2.053 5.329 11.859 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.826 2.455 13.759 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -4.092 3.264 14.688 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -3.691 6.361 13.045 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -4.581 5.471 14.285 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.759 0.058 10.434 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.100 -0.016 9.892 1.00 0.39 C ATOM 2273 C VAL A 146 -5.965 1.083 10.481 1.00 0.40 C ATOM 2274 O VAL A 146 -6.321 1.046 11.658 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.750 -1.390 10.156 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.132 -1.465 9.521 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -4.864 -2.509 9.632 1.00 1.11 C ATOM 0 H VAL A 146 -3.637 -0.408 11.333 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.024 0.117 8.813 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.861 -1.512 11.233 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.571 -2.443 9.720 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.769 -0.688 9.943 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.046 -1.318 8.444 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.339 -3.471 9.827 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.720 -2.387 8.559 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -3.897 -2.473 10.134 1.00 1.11 H new ATOM 2287 N THR A 147 -6.271 2.077 9.670 1.00 0.40 N ATOM 2288 CA THR A 147 -7.129 3.160 10.103 1.00 0.42 C ATOM 2289 C THR A 147 -8.345 3.261 9.206 1.00 0.35 C ATOM 2290 O THR A 147 -8.236 3.659 8.050 1.00 0.33 O ATOM 2291 CB THR A 147 -6.380 4.504 10.081 1.00 0.47 C ATOM 2292 OG1 THR A 147 -5.058 4.332 10.604 1.00 0.56 O ATOM 2293 CG2 THR A 147 -7.116 5.556 10.900 1.00 0.52 C ATOM 0 H THR A 147 -5.938 2.156 8.709 1.00 0.40 H new ATOM 0 HA THR A 147 -7.441 2.943 11.125 1.00 0.42 H new ATOM 0 HB THR A 147 -6.327 4.845 9.047 1.00 0.47 H new ATOM 0 HG1 THR A 147 -5.104 3.861 11.462 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.564 6.495 10.866 1.00 0.52 H new ATOM 0 HG22 THR A 147 -8.113 5.707 10.487 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.198 5.220 11.934 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.494 2.879 9.724 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.723 3.033 8.977 1.00 0.34 C ATOM 2303 C ARG A 148 -11.468 4.269 9.456 1.00 0.37 C ATOM 2304 O ARG A 148 -11.457 4.602 10.643 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.604 1.783 9.065 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.032 1.406 10.475 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.890 0.150 10.462 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.276 -0.274 11.807 1.00 1.48 N ATOM 2309 CZ ARG A 148 -13.731 -1.492 12.102 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.842 -2.414 11.149 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -14.074 -1.782 13.349 1.00 3.00 N ATOM 0 H ARG A 148 -9.602 2.464 10.649 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.468 3.163 7.925 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.496 1.940 8.459 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.065 0.943 8.627 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.151 1.243 11.096 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.590 2.228 10.923 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.787 0.332 9.870 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.343 -0.656 9.973 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.192 0.403 12.565 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.579 -2.190 10.189 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.190 -3.345 11.378 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -13.989 -1.074 14.079 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -14.423 -2.713 13.579 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.100 4.945 8.521 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.714 6.237 8.770 1.00 0.36 C ATOM 2327 C PHE A 149 -14.231 6.137 8.687 1.00 0.38 C ATOM 2328 O PHE A 149 -14.776 5.167 8.156 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.213 7.248 7.734 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.717 7.271 7.578 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.915 7.962 8.472 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.115 6.599 6.528 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.541 7.981 8.317 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.748 6.616 6.368 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.958 7.305 7.262 1.00 0.40 C ATOM 0 H PHE A 149 -12.204 4.615 7.562 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.440 6.565 9.773 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.666 7.019 6.769 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.554 8.244 8.018 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.367 8.491 9.298 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.727 6.054 5.824 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.925 8.523 9.019 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.295 6.089 5.541 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.885 7.317 7.139 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.909 7.142 9.214 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.355 7.233 9.101 1.00 0.51 C ATOM 2347 C HIS A 150 -16.731 8.209 7.998 1.00 0.52 C ATOM 2348 O HIS A 150 -16.531 9.419 8.131 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.983 7.677 10.426 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.420 6.544 11.302 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -17.328 5.204 11.132 1.00 2.39 N flip ATOM 2352 CD2 HIS A 150 -18.059 6.729 12.510 1.00 1.74 C flip ATOM 2353 CE1 HIS A 150 -17.909 4.612 12.225 1.00 3.14 C flip ATOM 2354 NE2 HIS A 150 -18.340 5.555 13.041 1.00 2.73 N flip ATOM 0 H HIS A 150 -14.478 7.911 9.727 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.739 6.243 8.854 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.263 8.288 10.971 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.843 8.312 10.214 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.293 7.686 12.952 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -17.999 3.549 12.390 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -18.811 5.402 13.933 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.266 7.683 6.908 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.674 8.508 5.786 1.00 0.50 C ATOM 2365 C ILE A 151 -19.087 8.154 5.367 1.00 0.49 C ATOM 2366 O ILE A 151 -19.672 7.189 5.868 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.753 8.343 4.555 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.886 6.932 3.975 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.305 8.641 4.923 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.297 6.786 2.588 1.00 0.64 C ATOM 0 H ILE A 151 -17.428 6.684 6.778 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.611 9.542 6.127 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.063 9.059 3.793 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.395 6.226 4.645 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.941 6.660 3.943 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.673 8.519 4.043 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.226 9.665 5.288 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.978 7.952 5.702 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.428 5.760 2.243 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.804 7.467 1.904 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.234 7.026 2.617 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.624 8.922 4.444 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.943 8.656 3.916 1.00 0.51 C ATOM 2384 C ASN A 152 -20.844 8.056 2.523 1.00 0.49 C ATOM 2385 O ASN A 152 -20.369 8.689 1.581 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.803 9.924 3.920 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.208 11.067 3.118 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.327 11.780 3.600 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.699 11.265 1.904 1.00 1.33 N ATOM 0 H ASN A 152 -19.164 9.739 4.043 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.434 7.929 4.563 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.788 9.685 3.520 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.948 10.251 4.950 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.347 12.032 1.331 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.429 10.651 1.543 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.249 6.803 2.421 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.335 6.116 1.141 1.00 0.59 C ATOM 2398 C TRP A 153 -22.618 6.557 0.461 1.00 0.72 C ATOM 2399 O TRP A 153 -22.774 6.490 -0.760 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.378 4.597 1.344 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.305 4.043 2.239 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.051 4.387 3.538 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.369 3.011 1.911 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.001 3.654 4.024 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.567 2.799 3.048 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.122 2.253 0.764 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.545 1.859 3.071 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.108 1.317 0.789 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.329 1.129 1.937 1.00 0.53 C ATOM 0 H TRP A 153 -21.527 6.233 3.220 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.462 6.361 0.536 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.350 4.329 1.759 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.303 4.114 0.370 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.599 5.129 4.099 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.607 3.733 4.961 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.715 2.397 -0.127 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.942 1.710 3.955 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.913 0.721 -0.090 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.541 0.391 1.926 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.522 7.022 1.305 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.838 7.445 0.918 1.00 0.99 C ATOM 2422 C GLU A 154 -24.762 8.881 0.447 1.00 0.96 C ATOM 2423 O GLU A 154 -23.907 9.648 0.901 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.758 7.306 2.127 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.579 5.969 2.827 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.099 5.959 4.247 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.504 6.646 5.105 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -27.092 5.252 4.516 1.00 2.07 O ATOM 0 H GLU A 154 -23.346 7.115 2.305 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.232 6.835 0.105 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.557 8.114 2.831 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.795 7.412 1.808 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -26.092 5.196 2.255 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.520 5.710 2.834 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.642 9.247 -0.450 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.515 10.513 -1.134 1.00 1.07 C ATOM 2437 C ASP A 155 -26.186 11.653 -0.370 1.00 1.02 C ATOM 2438 O ASP A 155 -27.245 12.155 -0.741 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.040 10.375 -2.563 1.00 1.41 C ATOM 2440 CG ASP A 155 -27.510 9.994 -2.643 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -27.842 8.810 -2.397 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -28.342 10.863 -2.983 1.00 1.86 O ATOM 0 H ASP A 155 -26.452 8.691 -0.724 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.459 10.780 -1.181 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.890 11.318 -3.088 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -25.450 9.622 -3.086 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.555 12.043 0.727 1.00 1.06 N ATOM 2448 CA ASN A 156 -25.964 13.228 1.461 1.00 1.31 C ATOM 2449 C ASN A 156 -24.874 14.287 1.382 1.00 1.59 C ATOM 2450 O ASN A 156 -25.019 15.222 0.565 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.333 12.907 2.922 1.00 1.55 C ATOM 2452 CG ASN A 156 -25.324 12.028 3.645 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -24.390 12.513 4.285 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -25.523 10.723 3.572 1.00 2.27 N ATOM 2455 OXT ASN A 156 -23.862 14.168 2.092 1.00 2.05 O ATOM 0 H ASN A 156 -24.755 11.554 1.129 1.00 1.06 H new ATOM 0 HA ASN A 156 -26.868 13.619 0.995 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.441 13.843 3.471 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -27.305 12.414 2.939 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -24.892 10.083 4.055 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -26.307 10.356 3.033 1.00 2.27 H new TER 2462 ASN A 156