USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1074 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 87 TYR OH : rot 166:sc= 1.58 USER MOD Set 1.2: A 112 GLN : amide:sc= 0.557 K(o=2.1,f=0.94) USER MOD Set 2.1: A 82 GLN : amide:sc= 1.82 K(o=3.4,f=-3.5!) USER MOD Set 2.2: A 114 GLN : amide:sc= 1.62 K(o=3.4,f=-5.4) USER MOD Set 3.1: A 73 GLN : amide:sc= 0.767 K(o=1.7,f=-3.6) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -161:sc= 0.892 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 140:sc= 0.582 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.288 USER MOD Single : A 27 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= 0.851 K(o=0.85,f=-1.6!) USER MOD Single : A 31 HIS : no HD1:sc= 0.0293 K(o=0.029,f=-0.71) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.000898 USER MOD Single : A 42 SER OG : rot 149:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.22) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 170:sc= 0 USER MOD Single : A 57 SER OG : rot -64:sc= 1.05 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 59 THR OG1 : rot 159:sc= 1.19 USER MOD Single : A 67 SER OG : rot 129:sc= 1.22 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.159 K(o=0.16,f=-2.7!) USER MOD Single : A 95 SER OG : rot 148:sc= 1.28 USER MOD Single : A 96 SER OG : rot 102:sc= 1.21 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot 75:sc= 0.157 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 0.886 (180deg=0.819) USER MOD Single : A 106 GLN : amide:sc= 0.691 K(o=0.69,f=0) USER MOD Single : A 115 SER OG : rot -43:sc= 0.445 USER MOD Single : A 117 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : A 122 MET CE :methyl 177:sc= -0.163 (180deg=-0.202) USER MOD Single : A 128 SER OG : rot 130:sc= 0.473 USER MOD Single : A 130 ASN : amide:sc= 2.11 K(o=2.1,f=-0.67) USER MOD Single : A 135 THR OG1 : rot -50:sc= 1.26 USER MOD Single : A 137 SER OG : rot -84:sc= 1.21 USER MOD Single : A 138 ASN : amide:sc= 0.815 K(o=0.82,f=-1.4) USER MOD Single : A 143 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 146 THR OG1 : rot -63:sc= 1.26 USER MOD Single : A 149 SER OG : rot -144:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.439 1.273 -0.563 1.00 0.00 N ATOM 21 CA ALA A 2 5.168 2.458 -1.028 1.00 0.00 C ATOM 22 C ALA A 2 4.958 2.804 -2.524 1.00 0.00 C ATOM 23 O ALA A 2 4.490 1.997 -3.335 1.00 0.00 O ATOM 24 CB ALA A 2 6.659 2.253 -0.712 1.00 0.00 C ATOM 0 HA ALA A 2 4.763 3.319 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.225 3.122 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.789 2.129 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.021 1.363 -1.226 1.00 0.00 H new ATOM 30 N GLU A 3 5.384 4.015 -2.896 1.00 0.00 N ATOM 31 CA GLU A 3 5.387 4.548 -4.265 1.00 0.00 C ATOM 32 C GLU A 3 6.765 5.178 -4.540 1.00 0.00 C ATOM 33 O GLU A 3 7.263 5.916 -3.685 1.00 0.00 O ATOM 34 CB GLU A 3 4.270 5.601 -4.452 1.00 0.00 C ATOM 35 CG GLU A 3 2.916 5.248 -3.810 1.00 0.00 C ATOM 36 CD GLU A 3 1.793 6.177 -4.312 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.853 7.405 -4.058 1.00 0.00 O1- ATOM 38 OE2 GLU A 3 0.823 5.683 -4.939 1.00 0.00 O ATOM 0 H GLU A 3 5.754 4.683 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 3 5.197 3.738 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.614 6.548 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.117 5.758 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.663 4.213 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.995 5.325 -2.726 1.00 0.00 H new ATOM 45 N ILE A 4 7.383 4.895 -5.698 1.00 0.00 N ATOM 46 CA ILE A 4 8.789 5.259 -5.985 1.00 0.00 C ATOM 47 C ILE A 4 8.915 6.057 -7.280 1.00 0.00 C ATOM 48 O ILE A 4 8.647 5.537 -8.365 1.00 0.00 O ATOM 49 CB ILE A 4 9.758 4.036 -6.063 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.439 2.871 -5.100 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.199 4.533 -5.847 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.521 3.224 -3.625 1.00 0.00 C ATOM 0 H ILE A 4 6.924 4.406 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 4 9.087 5.870 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 4 9.625 3.607 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.436 2.504 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.129 2.052 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.887 3.689 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.454 5.257 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.278 5.006 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.281 2.345 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.530 3.561 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.811 4.020 -3.401 1.00 0.00 H new ATOM 64 N GLY A 5 9.383 7.299 -7.179 1.00 0.00 N ATOM 65 CA GLY A 5 9.770 8.071 -8.357 1.00 0.00 C ATOM 66 C GLY A 5 11.181 7.636 -8.771 1.00 0.00 C ATOM 67 O GLY A 5 12.083 7.613 -7.932 1.00 0.00 O ATOM 0 H GLY A 5 9.503 7.792 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.065 7.901 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.751 9.138 -8.136 1.00 0.00 H new ATOM 71 N ILE A 6 11.367 7.252 -10.035 1.00 0.00 N ATOM 72 CA ILE A 6 12.611 6.665 -10.557 1.00 0.00 C ATOM 73 C ILE A 6 13.150 7.597 -11.641 1.00 0.00 C ATOM 74 O ILE A 6 12.775 7.533 -12.813 1.00 0.00 O ATOM 75 CB ILE A 6 12.424 5.204 -11.021 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.891 4.341 -9.855 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.752 4.632 -11.559 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.679 2.871 -10.223 1.00 0.00 C ATOM 0 H ILE A 6 10.641 7.341 -10.745 1.00 0.00 H new ATOM 0 HA ILE A 6 13.354 6.589 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 6 11.694 5.185 -11.830 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.591 4.400 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.946 4.759 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.600 3.602 -11.881 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.090 5.231 -12.405 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.505 4.659 -10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.304 2.329 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.956 2.800 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.626 2.435 -10.541 1.00 0.00 H new ATOM 90 N PHE A 7 13.998 8.523 -11.215 1.00 0.00 N ATOM 91 CA PHE A 7 14.469 9.644 -12.024 1.00 0.00 C ATOM 92 C PHE A 7 15.748 9.264 -12.772 1.00 0.00 C ATOM 93 O PHE A 7 16.647 8.630 -12.208 1.00 0.00 O ATOM 94 CB PHE A 7 14.655 10.860 -11.108 1.00 0.00 C ATOM 95 CG PHE A 7 13.409 11.142 -10.285 1.00 0.00 C ATOM 96 CD1 PHE A 7 13.247 10.537 -9.027 1.00 0.00 C ATOM 97 CD2 PHE A 7 12.370 11.931 -10.810 1.00 0.00 C ATOM 98 CE1 PHE A 7 12.078 10.750 -8.281 1.00 0.00 C ATOM 99 CE2 PHE A 7 11.184 12.112 -10.081 1.00 0.00 C ATOM 100 CZ PHE A 7 11.036 11.523 -8.815 1.00 0.00 C ATOM 0 H PHE A 7 14.389 8.517 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 7 13.736 9.902 -12.788 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.500 10.687 -10.441 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.899 11.735 -11.710 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.028 9.904 -8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.485 12.399 -11.777 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.980 10.319 -7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.383 12.706 -10.495 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.124 11.664 -8.255 1.00 0.00 H new ATOM 110 N VAL A 8 15.830 9.661 -14.047 1.00 0.00 N ATOM 111 CA VAL A 8 16.874 9.196 -14.968 1.00 0.00 C ATOM 112 C VAL A 8 17.702 10.348 -15.532 1.00 0.00 C ATOM 113 O VAL A 8 17.187 11.427 -15.827 1.00 0.00 O ATOM 114 CB VAL A 8 16.266 8.353 -16.109 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.328 7.661 -16.972 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.346 7.250 -15.567 1.00 0.00 C ATOM 0 H VAL A 8 15.172 10.316 -14.471 1.00 0.00 H new ATOM 0 HA VAL A 8 17.550 8.565 -14.390 1.00 0.00 H new ATOM 0 HB VAL A 8 15.708 9.067 -16.715 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.839 7.084 -17.757 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.976 8.412 -17.424 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.925 6.995 -16.349 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.936 6.677 -16.399 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.917 6.588 -14.916 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.531 7.701 -15.001 1.00 0.00 H new ATOM 126 N GLY A 9 18.997 10.085 -15.732 1.00 0.00 N ATOM 127 CA GLY A 9 19.945 11.024 -16.335 1.00 0.00 C ATOM 128 C GLY A 9 20.840 10.327 -17.351 1.00 0.00 C ATOM 129 O GLY A 9 21.745 9.572 -16.986 1.00 0.00 O ATOM 0 H GLY A 9 19.423 9.195 -15.474 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.400 11.833 -16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.559 11.476 -15.556 1.00 0.00 H new ATOM 133 N THR A 10 20.577 10.541 -18.641 1.00 0.00 N ATOM 134 CA THR A 10 21.287 9.887 -19.758 1.00 0.00 C ATOM 135 C THR A 10 21.327 10.743 -21.027 1.00 0.00 C ATOM 136 O THR A 10 20.548 11.684 -21.173 1.00 0.00 O ATOM 137 CB THR A 10 20.649 8.523 -20.047 1.00 0.00 C ATOM 138 OG1 THR A 10 21.483 7.805 -20.923 1.00 0.00 O ATOM 139 CG2 THR A 10 19.285 8.541 -20.708 1.00 0.00 C ATOM 0 H THR A 10 19.851 11.186 -18.952 1.00 0.00 H new ATOM 0 HA THR A 10 22.323 9.753 -19.448 1.00 0.00 H new ATOM 0 HB THR A 10 20.525 8.079 -19.059 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.510 6.864 -20.651 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.941 7.518 -20.860 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.578 9.071 -20.069 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.354 9.047 -21.671 1.00 0.00 H new ATOM 147 N MET A 11 22.220 10.377 -21.948 1.00 0.00 N ATOM 148 CA MET A 11 22.306 10.904 -23.322 1.00 0.00 C ATOM 149 C MET A 11 22.377 9.775 -24.378 1.00 0.00 C ATOM 150 O MET A 11 22.466 10.060 -25.574 1.00 0.00 O ATOM 151 CB MET A 11 23.500 11.871 -23.443 1.00 0.00 C ATOM 152 CG MET A 11 23.498 12.950 -22.349 1.00 0.00 C ATOM 153 SD MET A 11 24.680 14.306 -22.554 1.00 0.00 S ATOM 154 CE MET A 11 23.843 15.275 -23.836 1.00 0.00 C ATOM 0 H MET A 11 22.935 9.676 -21.754 1.00 0.00 H new ATOM 0 HA MET A 11 21.389 11.457 -23.528 1.00 0.00 H new ATOM 0 HB2 MET A 11 24.429 11.304 -23.388 1.00 0.00 H new ATOM 0 HB3 MET A 11 23.477 12.351 -24.422 1.00 0.00 H new ATOM 0 HG2 MET A 11 22.496 13.376 -22.291 1.00 0.00 H new ATOM 0 HG3 MET A 11 23.695 12.467 -21.392 1.00 0.00 H new ATOM 0 HE1 MET A 11 24.443 16.152 -24.079 1.00 0.00 H new ATOM 0 HE2 MET A 11 23.715 14.663 -24.729 1.00 0.00 H new ATOM 0 HE3 MET A 11 22.866 15.594 -23.472 1.00 0.00 H new ATOM 164 N TYR A 12 22.312 8.500 -23.947 1.00 0.00 N ATOM 165 CA TYR A 12 22.469 7.309 -24.805 1.00 0.00 C ATOM 166 C TYR A 12 21.507 6.144 -24.474 1.00 0.00 C ATOM 167 O TYR A 12 21.385 5.211 -25.272 1.00 0.00 O ATOM 168 CB TYR A 12 23.931 6.825 -24.736 1.00 0.00 C ATOM 169 CG TYR A 12 24.964 7.807 -25.267 1.00 0.00 C ATOM 170 CD1 TYR A 12 25.245 7.855 -26.648 1.00 0.00 C ATOM 171 CD2 TYR A 12 25.651 8.666 -24.385 1.00 0.00 C ATOM 172 CE1 TYR A 12 26.207 8.758 -27.147 1.00 0.00 C ATOM 173 CE2 TYR A 12 26.614 9.567 -24.879 1.00 0.00 C ATOM 174 CZ TYR A 12 26.895 9.616 -26.259 1.00 0.00 C ATOM 175 OH TYR A 12 27.823 10.492 -26.734 1.00 0.00 O ATOM 0 H TYR A 12 22.145 8.264 -22.969 1.00 0.00 H new ATOM 0 HA TYR A 12 22.204 7.622 -25.815 1.00 0.00 H new ATOM 0 HB2 TYR A 12 24.172 6.595 -23.698 1.00 0.00 H new ATOM 0 HB3 TYR A 12 24.016 5.894 -25.297 1.00 0.00 H new ATOM 0 HD1 TYR A 12 24.722 7.198 -27.326 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.438 8.633 -23.327 1.00 0.00 H new ATOM 0 HE1 TYR A 12 26.417 8.794 -28.206 1.00 0.00 H new ATOM 0 HE2 TYR A 12 27.138 10.222 -24.199 1.00 0.00 H new ATOM 0 HH TYR A 12 28.199 11.006 -25.989 1.00 0.00 H new ATOM 185 N GLY A 13 20.802 6.187 -23.332 1.00 0.00 N ATOM 186 CA GLY A 13 19.725 5.240 -22.991 1.00 0.00 C ATOM 187 C GLY A 13 20.136 4.018 -22.156 1.00 0.00 C ATOM 188 O GLY A 13 19.275 3.208 -21.813 1.00 0.00 O ATOM 0 H GLY A 13 20.965 6.889 -22.610 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.951 5.782 -22.447 1.00 0.00 H new ATOM 0 HA3 GLY A 13 19.274 4.886 -23.918 1.00 0.00 H new ATOM 192 N ASN A 14 21.414 3.859 -21.798 1.00 0.00 N ATOM 193 CA ASN A 14 21.899 2.663 -21.091 1.00 0.00 C ATOM 194 C ASN A 14 21.470 2.661 -19.617 1.00 0.00 C ATOM 195 O ASN A 14 20.979 1.652 -19.112 1.00 0.00 O ATOM 196 CB ASN A 14 23.426 2.559 -21.242 1.00 0.00 C ATOM 197 CG ASN A 14 23.837 2.343 -22.693 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.514 1.333 -23.304 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.554 3.268 -23.294 1.00 0.00 N ATOM 0 H ASN A 14 22.140 4.550 -21.987 1.00 0.00 H new ATOM 0 HA ASN A 14 21.444 1.782 -21.543 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.892 3.469 -20.864 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.796 1.735 -20.633 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.838 3.142 -24.265 1.00 0.00 H new ATOM 0 HD22 ASN A 14 24.825 4.111 -22.789 1.00 0.00 H new ATOM 206 N SER A 15 21.568 3.808 -18.936 1.00 0.00 N ATOM 207 CA SER A 15 20.989 3.985 -17.590 1.00 0.00 C ATOM 208 C SER A 15 19.457 3.967 -17.613 1.00 0.00 C ATOM 209 O SER A 15 18.838 3.422 -16.704 1.00 0.00 O ATOM 210 CB SER A 15 21.528 5.265 -16.947 1.00 0.00 C ATOM 211 OG SER A 15 21.598 6.295 -17.910 1.00 0.00 O ATOM 0 H SER A 15 22.045 4.635 -19.294 1.00 0.00 H new ATOM 0 HA SER A 15 21.297 3.136 -16.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.881 5.569 -16.124 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.516 5.082 -16.525 1.00 0.00 H new ATOM 0 HG SER A 15 21.942 7.111 -17.491 1.00 0.00 H new ATOM 217 N LEU A 16 18.819 4.468 -18.678 1.00 0.00 N ATOM 218 CA LEU A 16 17.358 4.384 -18.838 1.00 0.00 C ATOM 219 C LEU A 16 16.855 2.932 -18.914 1.00 0.00 C ATOM 220 O LEU A 16 15.861 2.610 -18.267 1.00 0.00 O ATOM 221 CB LEU A 16 16.930 5.210 -20.061 1.00 0.00 C ATOM 222 CG LEU A 16 15.424 5.168 -20.385 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.551 5.717 -19.254 1.00 0.00 C ATOM 224 CD2 LEU A 16 15.180 6.017 -21.633 1.00 0.00 C ATOM 0 H LEU A 16 19.294 4.939 -19.448 1.00 0.00 H new ATOM 0 HA LEU A 16 16.891 4.806 -17.948 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.222 6.248 -19.899 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.483 4.855 -20.931 1.00 0.00 H new ATOM 0 HG LEU A 16 15.150 4.123 -20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.502 5.660 -19.544 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.711 5.127 -18.352 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.818 6.756 -19.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.119 6.002 -21.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.493 7.043 -21.442 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.754 5.612 -22.467 1.00 0.00 H new ATOM 236 N LEU A 17 17.553 2.037 -19.622 1.00 0.00 N ATOM 237 CA LEU A 17 17.229 0.604 -19.644 1.00 0.00 C ATOM 238 C LEU A 17 17.211 0.005 -18.227 1.00 0.00 C ATOM 239 O LEU A 17 16.270 -0.704 -17.860 1.00 0.00 O ATOM 240 CB LEU A 17 18.219 -0.107 -20.590 1.00 0.00 C ATOM 241 CG LEU A 17 18.046 -1.636 -20.719 1.00 0.00 C ATOM 242 CD1 LEU A 17 18.607 -2.100 -22.067 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.795 -2.432 -19.640 1.00 0.00 C ATOM 0 H LEU A 17 18.359 2.285 -20.196 1.00 0.00 H new ATOM 0 HA LEU A 17 16.219 0.455 -20.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.125 0.335 -21.582 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.232 0.097 -20.244 1.00 0.00 H new ATOM 0 HG LEU A 17 16.977 -1.823 -20.615 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.486 -3.179 -22.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.069 -1.604 -22.875 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.666 -1.848 -22.127 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.628 -3.498 -19.793 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.862 -2.219 -19.705 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.427 -2.145 -18.655 1.00 0.00 H new ATOM 255 N VAL A 18 18.216 0.334 -17.407 1.00 0.00 N ATOM 256 CA VAL A 18 18.260 -0.075 -15.998 1.00 0.00 C ATOM 257 C VAL A 18 17.099 0.527 -15.193 1.00 0.00 C ATOM 258 O VAL A 18 16.510 -0.159 -14.363 1.00 0.00 O ATOM 259 CB VAL A 18 19.619 0.281 -15.372 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.632 0.017 -13.864 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.741 -0.543 -16.012 1.00 0.00 C ATOM 0 H VAL A 18 19.020 0.890 -17.700 1.00 0.00 H new ATOM 0 HA VAL A 18 18.143 -1.158 -15.964 1.00 0.00 H new ATOM 0 HB VAL A 18 19.780 1.344 -15.553 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.608 0.280 -13.457 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.863 0.621 -13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.434 -1.039 -13.678 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.694 -0.276 -15.555 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.548 -1.604 -15.855 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.780 -0.335 -17.081 1.00 0.00 H new ATOM 271 N ALA A 19 16.722 1.781 -15.451 1.00 0.00 N ATOM 272 CA ALA A 19 15.576 2.417 -14.805 1.00 0.00 C ATOM 273 C ALA A 19 14.223 1.770 -15.166 1.00 0.00 C ATOM 274 O ALA A 19 13.366 1.616 -14.297 1.00 0.00 O ATOM 275 CB ALA A 19 15.591 3.904 -15.159 1.00 0.00 C ATOM 0 H ALA A 19 17.206 2.384 -16.116 1.00 0.00 H new ATOM 0 HA ALA A 19 15.674 2.277 -13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.743 4.399 -14.686 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.518 4.353 -14.803 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.523 4.021 -16.241 1.00 0.00 H new ATOM 281 N GLU A 20 14.025 1.351 -16.419 1.00 0.00 N ATOM 282 CA GLU A 20 12.845 0.583 -16.840 1.00 0.00 C ATOM 283 C GLU A 20 12.769 -0.787 -16.134 1.00 0.00 C ATOM 284 O GLU A 20 11.703 -1.166 -15.641 1.00 0.00 O ATOM 285 CB GLU A 20 12.842 0.399 -18.370 1.00 0.00 C ATOM 286 CG GLU A 20 12.578 1.704 -19.128 1.00 0.00 C ATOM 287 CD GLU A 20 12.479 1.444 -20.644 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.526 1.378 -21.334 1.00 0.00 O1- ATOM 289 OE2 GLU A 20 11.342 1.305 -21.159 1.00 0.00 O ATOM 0 H GLU A 20 14.682 1.535 -17.177 1.00 0.00 H new ATOM 0 HA GLU A 20 11.962 1.152 -16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.803 -0.009 -18.683 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.081 -0.333 -18.641 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.653 2.157 -18.771 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.379 2.415 -18.928 1.00 0.00 H new ATOM 296 N GLU A 21 13.893 -1.502 -16.004 1.00 0.00 N ATOM 297 CA GLU A 21 13.976 -2.716 -15.176 1.00 0.00 C ATOM 298 C GLU A 21 13.688 -2.434 -13.694 1.00 0.00 C ATOM 299 O GLU A 21 12.940 -3.185 -13.067 1.00 0.00 O ATOM 300 CB GLU A 21 15.359 -3.373 -15.309 1.00 0.00 C ATOM 301 CG GLU A 21 15.569 -4.098 -16.643 1.00 0.00 C ATOM 302 CD GLU A 21 14.684 -5.358 -16.740 1.00 0.00 C ATOM 303 OE1 GLU A 21 14.995 -6.378 -16.077 1.00 0.00 O1- ATOM 304 OE2 GLU A 21 13.662 -5.329 -17.470 1.00 0.00 O ATOM 0 H GLU A 21 14.769 -1.258 -16.467 1.00 0.00 H new ATOM 0 HA GLU A 21 13.208 -3.396 -15.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.127 -2.608 -15.196 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.494 -4.084 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.337 -3.423 -17.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.617 -4.378 -16.746 1.00 0.00 H new ATOM 311 N ALA A 22 14.217 -1.342 -13.132 1.00 0.00 N ATOM 312 CA ALA A 22 13.954 -0.951 -11.750 1.00 0.00 C ATOM 313 C ALA A 22 12.460 -0.694 -11.486 1.00 0.00 C ATOM 314 O ALA A 22 11.911 -1.192 -10.500 1.00 0.00 O ATOM 315 CB ALA A 22 14.801 0.283 -11.408 1.00 0.00 C ATOM 0 H ALA A 22 14.841 -0.705 -13.627 1.00 0.00 H new ATOM 0 HA ALA A 22 14.236 -1.779 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.610 0.581 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.858 0.043 -11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.538 1.102 -12.077 1.00 0.00 H new ATOM 321 N GLU A 23 11.782 0.027 -12.386 1.00 0.00 N ATOM 322 CA GLU A 23 10.331 0.225 -12.331 1.00 0.00 C ATOM 323 C GLU A 23 9.578 -1.113 -12.358 1.00 0.00 C ATOM 324 O GLU A 23 8.729 -1.352 -11.495 1.00 0.00 O ATOM 325 CB GLU A 23 9.883 1.134 -13.490 1.00 0.00 C ATOM 326 CG GLU A 23 8.460 1.671 -13.277 1.00 0.00 C ATOM 327 CD GLU A 23 7.797 2.170 -14.574 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.650 1.375 -15.534 1.00 0.00 O1- ATOM 329 OE2 GLU A 23 7.374 3.350 -14.613 1.00 0.00 O ATOM 0 H GLU A 23 12.228 0.492 -13.177 1.00 0.00 H new ATOM 0 HA GLU A 23 10.087 0.711 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.576 1.970 -13.585 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.925 0.577 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.844 0.885 -12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.491 2.488 -12.556 1.00 0.00 H new ATOM 336 N ALA A 24 9.918 -2.008 -13.292 1.00 0.00 N ATOM 337 CA ALA A 24 9.306 -3.330 -13.412 1.00 0.00 C ATOM 338 C ALA A 24 9.480 -4.185 -12.141 1.00 0.00 C ATOM 339 O ALA A 24 8.505 -4.754 -11.655 1.00 0.00 O ATOM 340 CB ALA A 24 9.880 -4.030 -14.652 1.00 0.00 C ATOM 0 H ALA A 24 10.636 -1.829 -13.994 1.00 0.00 H new ATOM 0 HA ALA A 24 8.230 -3.204 -13.530 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.431 -5.018 -14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.657 -3.438 -15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.960 -4.132 -14.545 1.00 0.00 H new ATOM 346 N ILE A 25 10.681 -4.227 -11.553 1.00 0.00 N ATOM 347 CA ILE A 25 10.971 -4.951 -10.308 1.00 0.00 C ATOM 348 C ILE A 25 10.131 -4.446 -9.131 1.00 0.00 C ATOM 349 O ILE A 25 9.523 -5.244 -8.418 1.00 0.00 O ATOM 350 CB ILE A 25 12.482 -4.829 -10.009 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.267 -5.715 -11.002 1.00 0.00 C ATOM 352 CG2 ILE A 25 12.818 -5.224 -8.562 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.751 -5.349 -11.091 1.00 0.00 C ATOM 0 H ILE A 25 11.496 -3.749 -11.937 1.00 0.00 H new ATOM 0 HA ILE A 25 10.701 -5.999 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 25 12.771 -3.785 -10.130 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.174 -6.758 -10.701 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.818 -5.628 -11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.891 -5.123 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.282 -4.572 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.520 -6.258 -8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.246 -6.008 -11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.852 -4.315 -11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.213 -5.463 -10.111 1.00 0.00 H new ATOM 365 N LEU A 26 10.059 -3.130 -8.930 1.00 0.00 N ATOM 366 CA LEU A 26 9.343 -2.541 -7.797 1.00 0.00 C ATOM 367 C LEU A 26 7.835 -2.746 -7.970 1.00 0.00 C ATOM 368 O LEU A 26 7.147 -3.144 -7.030 1.00 0.00 O ATOM 369 CB LEU A 26 9.741 -1.057 -7.688 1.00 0.00 C ATOM 370 CG LEU A 26 11.106 -0.871 -6.991 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.728 0.473 -7.358 1.00 0.00 C ATOM 372 CD2 LEU A 26 10.956 -0.930 -5.470 1.00 0.00 C ATOM 0 H LEU A 26 10.494 -2.443 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 26 9.615 -3.031 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.781 -0.619 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.974 -0.516 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 26 11.751 -1.681 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.689 0.579 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.877 0.523 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.064 1.279 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.932 -0.796 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.284 -0.138 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.545 -1.898 -5.182 1.00 0.00 H new ATOM 384 N THR A 27 7.359 -2.599 -9.206 1.00 0.00 N ATOM 385 CA THR A 27 5.989 -2.922 -9.623 1.00 0.00 C ATOM 386 C THR A 27 5.637 -4.392 -9.358 1.00 0.00 C ATOM 387 O THR A 27 4.570 -4.674 -8.811 1.00 0.00 O ATOM 388 CB THR A 27 5.817 -2.581 -11.111 1.00 0.00 C ATOM 389 OG1 THR A 27 6.067 -1.212 -11.334 1.00 0.00 O ATOM 390 CG2 THR A 27 4.415 -2.856 -11.625 1.00 0.00 C ATOM 0 H THR A 27 7.931 -2.241 -9.971 1.00 0.00 H new ATOM 0 HA THR A 27 5.301 -2.322 -9.028 1.00 0.00 H new ATOM 0 HB THR A 27 6.527 -3.217 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.980 -1.097 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.357 -2.595 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.182 -3.913 -11.499 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.698 -2.257 -11.064 1.00 0.00 H new ATOM 398 N ALA A 28 6.533 -5.333 -9.687 1.00 0.00 N ATOM 399 CA ALA A 28 6.345 -6.770 -9.455 1.00 0.00 C ATOM 400 C ALA A 28 6.316 -7.128 -7.957 1.00 0.00 C ATOM 401 O ALA A 28 5.512 -7.962 -7.537 1.00 0.00 O ATOM 402 CB ALA A 28 7.466 -7.536 -10.172 1.00 0.00 C ATOM 0 H ALA A 28 7.425 -5.112 -10.130 1.00 0.00 H new ATOM 0 HA ALA A 28 5.373 -7.057 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.338 -8.606 -10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.425 -7.325 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.432 -7.221 -9.777 1.00 0.00 H new ATOM 408 N GLN A 29 7.154 -6.472 -7.142 1.00 0.00 N ATOM 409 CA GLN A 29 7.135 -6.591 -5.676 1.00 0.00 C ATOM 410 C GLN A 29 5.872 -5.970 -5.039 1.00 0.00 C ATOM 411 O GLN A 29 5.457 -6.395 -3.959 1.00 0.00 O ATOM 412 CB GLN A 29 8.421 -5.975 -5.098 1.00 0.00 C ATOM 413 CG GLN A 29 9.641 -6.858 -5.421 1.00 0.00 C ATOM 414 CD GLN A 29 10.957 -6.276 -4.904 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.261 -5.102 -5.050 1.00 0.00 O ATOM 416 NE2 GLN A 29 11.796 -7.083 -4.286 1.00 0.00 N ATOM 0 H GLN A 29 7.873 -5.836 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 29 7.098 -7.651 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.569 -4.977 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.323 -5.863 -4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.492 -7.846 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.709 -6.992 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.556 -8.066 -4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.685 -6.725 -3.937 1.00 0.00 H new ATOM 425 N GLY A 30 5.242 -5.002 -5.718 1.00 0.00 N ATOM 426 CA GLY A 30 3.924 -4.437 -5.392 1.00 0.00 C ATOM 427 C GLY A 30 3.907 -2.914 -5.200 1.00 0.00 C ATOM 428 O GLY A 30 2.836 -2.328 -5.042 1.00 0.00 O ATOM 0 H GLY A 30 5.654 -4.572 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.226 -4.697 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.558 -4.908 -4.480 1.00 0.00 H new ATOM 432 N HIS A 31 5.075 -2.268 -5.199 1.00 0.00 N ATOM 433 CA HIS A 31 5.233 -0.820 -5.005 1.00 0.00 C ATOM 434 C HIS A 31 4.850 -0.053 -6.274 1.00 0.00 C ATOM 435 O HIS A 31 5.215 -0.453 -7.380 1.00 0.00 O ATOM 436 CB HIS A 31 6.690 -0.524 -4.621 1.00 0.00 C ATOM 437 CG HIS A 31 7.176 -1.336 -3.446 1.00 0.00 C ATOM 438 ND1 HIS A 31 6.758 -1.177 -2.123 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.090 -2.347 -3.509 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.449 -2.084 -1.413 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.263 -2.794 -2.214 1.00 0.00 N ATOM 0 H HIS A 31 5.964 -2.749 -5.337 1.00 0.00 H new ATOM 0 HA HIS A 31 4.568 -0.492 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.332 -0.721 -5.480 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.788 0.536 -4.386 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.580 -2.723 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.363 -2.224 -0.346 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.898 -3.535 -1.917 1.00 0.00 H new ATOM 449 N LYS A 32 4.152 1.082 -6.136 1.00 0.00 N ATOM 450 CA LYS A 32 3.740 1.936 -7.269 1.00 0.00 C ATOM 451 C LYS A 32 4.923 2.768 -7.787 1.00 0.00 C ATOM 452 O LYS A 32 5.081 3.940 -7.448 1.00 0.00 O ATOM 453 CB LYS A 32 2.518 2.786 -6.873 1.00 0.00 C ATOM 454 CG LYS A 32 1.865 3.559 -8.027 1.00 0.00 C ATOM 455 CD LYS A 32 1.259 2.643 -9.101 1.00 0.00 C ATOM 456 CE LYS A 32 0.417 3.495 -10.054 1.00 0.00 C ATOM 457 NZ LYS A 32 -0.223 2.673 -11.118 1.00 0.00 N1+ ATOM 0 H LYS A 32 3.853 1.440 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 32 3.429 1.309 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.770 2.133 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.822 3.497 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.084 4.205 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.610 4.207 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.049 2.130 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.642 1.873 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.353 4.019 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.048 4.256 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.784 3.288 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.512 2.193 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.845 1.963 -10.681 1.00 0.00 H new ATOM 471 N ALA A 33 5.820 2.141 -8.542 1.00 0.00 N ATOM 472 CA ALA A 33 6.964 2.818 -9.150 1.00 0.00 C ATOM 473 C ALA A 33 6.545 3.647 -10.383 1.00 0.00 C ATOM 474 O ALA A 33 5.511 3.395 -11.005 1.00 0.00 O ATOM 475 CB ALA A 33 8.011 1.761 -9.500 1.00 0.00 C ATOM 0 H ALA A 33 5.775 1.144 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 33 7.390 3.531 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.876 2.243 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.321 1.242 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.584 1.044 -10.201 1.00 0.00 H new ATOM 481 N THR A 34 7.348 4.646 -10.756 1.00 0.00 N ATOM 482 CA THR A 34 7.168 5.432 -11.987 1.00 0.00 C ATOM 483 C THR A 34 8.518 5.958 -12.466 1.00 0.00 C ATOM 484 O THR A 34 9.171 6.715 -11.748 1.00 0.00 O ATOM 485 CB THR A 34 6.204 6.608 -11.766 1.00 0.00 C ATOM 486 OG1 THR A 34 4.952 6.117 -11.333 1.00 0.00 O ATOM 487 CG2 THR A 34 5.944 7.400 -13.047 1.00 0.00 C ATOM 0 H THR A 34 8.155 4.939 -10.205 1.00 0.00 H new ATOM 0 HA THR A 34 6.737 4.778 -12.744 1.00 0.00 H new ATOM 0 HB THR A 34 6.673 7.258 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.338 6.867 -11.191 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.257 8.219 -12.835 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.884 7.803 -13.423 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.505 6.743 -13.798 1.00 0.00 H new ATOM 495 N VAL A 35 8.950 5.548 -13.659 1.00 0.00 N ATOM 496 CA VAL A 35 10.192 6.030 -14.289 1.00 0.00 C ATOM 497 C VAL A 35 9.992 7.367 -15.024 1.00 0.00 C ATOM 498 O VAL A 35 8.945 7.606 -15.630 1.00 0.00 O ATOM 499 CB VAL A 35 10.809 4.935 -15.183 1.00 0.00 C ATOM 500 CG1 VAL A 35 10.020 4.629 -16.459 1.00 0.00 C ATOM 501 CG2 VAL A 35 12.254 5.257 -15.573 1.00 0.00 C ATOM 0 H VAL A 35 8.447 4.865 -14.225 1.00 0.00 H new ATOM 0 HA VAL A 35 10.911 6.241 -13.498 1.00 0.00 H new ATOM 0 HB VAL A 35 10.774 4.045 -14.555 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.529 3.848 -17.023 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.018 4.291 -16.195 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.950 5.530 -17.069 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.648 4.459 -16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.282 6.198 -16.122 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.863 5.343 -14.673 1.00 0.00 H new ATOM 511 N PHE A 36 11.021 8.221 -14.993 1.00 0.00 N ATOM 512 CA PHE A 36 11.030 9.564 -15.586 1.00 0.00 C ATOM 513 C PHE A 36 12.309 9.788 -16.415 1.00 0.00 C ATOM 514 O PHE A 36 13.371 10.094 -15.867 1.00 0.00 O ATOM 515 CB PHE A 36 10.882 10.628 -14.479 1.00 0.00 C ATOM 516 CG PHE A 36 9.613 10.551 -13.650 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.394 11.028 -14.172 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.654 10.041 -12.337 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.225 10.995 -13.387 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.487 10.017 -11.551 1.00 0.00 C ATOM 521 CZ PHE A 36 7.273 10.495 -12.075 1.00 0.00 C ATOM 0 H PHE A 36 11.903 7.988 -14.537 1.00 0.00 H new ATOM 0 HA PHE A 36 10.182 9.657 -16.265 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.737 10.547 -13.808 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.932 11.614 -14.941 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.356 11.420 -15.178 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.583 9.668 -11.933 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.291 11.354 -13.794 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.524 9.631 -10.543 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.379 10.478 -11.470 1.00 0.00 H new ATOM 531 N GLU A 37 12.219 9.610 -17.739 1.00 0.00 N ATOM 532 CA GLU A 37 13.341 9.787 -18.683 1.00 0.00 C ATOM 533 C GLU A 37 13.734 11.258 -18.955 1.00 0.00 C ATOM 534 O GLU A 37 14.841 11.525 -19.425 1.00 0.00 O ATOM 535 CB GLU A 37 13.045 9.044 -19.998 1.00 0.00 C ATOM 536 CG GLU A 37 11.889 9.631 -20.817 1.00 0.00 C ATOM 537 CD GLU A 37 11.650 8.812 -22.098 1.00 0.00 C ATOM 538 OE1 GLU A 37 10.849 7.845 -22.068 1.00 0.00 O ATOM 539 OE2 GLU A 37 12.252 9.137 -23.153 1.00 0.00 O1- ATOM 0 H GLU A 37 11.351 9.334 -18.197 1.00 0.00 H new ATOM 0 HA GLU A 37 14.213 9.352 -18.194 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.946 9.046 -20.612 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.818 8.003 -19.769 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.981 9.643 -20.214 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.112 10.665 -21.079 1.00 0.00 H new ATOM 546 N ASP A 38 12.846 12.211 -18.643 1.00 0.00 N ATOM 547 CA ASP A 38 13.041 13.662 -18.811 1.00 0.00 C ATOM 548 C ASP A 38 12.410 14.419 -17.611 1.00 0.00 C ATOM 549 O ASP A 38 11.374 15.079 -17.760 1.00 0.00 O ATOM 550 CB ASP A 38 12.472 14.090 -20.174 1.00 0.00 C ATOM 551 CG ASP A 38 12.679 15.587 -20.468 1.00 0.00 C ATOM 552 OD1 ASP A 38 13.764 16.134 -20.149 1.00 0.00 O ATOM 553 OD2 ASP A 38 11.773 16.216 -21.066 1.00 0.00 O1- ATOM 0 H ASP A 38 11.932 11.985 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 38 14.101 13.917 -18.812 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.945 13.502 -20.960 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.406 13.863 -20.204 1.00 0.00 H new ATOM 558 N PRO A 39 12.959 14.241 -16.392 1.00 0.00 N ATOM 559 CA PRO A 39 12.352 14.704 -15.141 1.00 0.00 C ATOM 560 C PRO A 39 12.442 16.224 -14.889 1.00 0.00 C ATOM 561 O PRO A 39 13.193 16.962 -15.533 1.00 0.00 O ATOM 562 CB PRO A 39 13.095 13.917 -14.056 1.00 0.00 C ATOM 563 CG PRO A 39 14.499 13.758 -14.635 1.00 0.00 C ATOM 564 CD PRO A 39 14.207 13.539 -16.116 1.00 0.00 C ATOM 0 HA PRO A 39 11.276 14.529 -15.161 1.00 0.00 H new ATOM 0 HB2 PRO A 39 13.110 14.455 -13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.626 12.951 -13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.113 14.643 -14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.029 12.914 -14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.017 13.927 -16.734 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.114 12.477 -16.342 1.00 0.00 H new ATOM 572 N GLU A 40 11.693 16.676 -13.879 1.00 0.00 N ATOM 573 CA GLU A 40 11.624 18.057 -13.378 1.00 0.00 C ATOM 574 C GLU A 40 11.318 18.044 -11.865 1.00 0.00 C ATOM 575 O GLU A 40 10.773 17.064 -11.349 1.00 0.00 O ATOM 576 CB GLU A 40 10.514 18.797 -14.158 1.00 0.00 C ATOM 577 CG GLU A 40 10.477 20.312 -13.925 1.00 0.00 C ATOM 578 CD GLU A 40 9.385 20.975 -14.784 1.00 0.00 C ATOM 579 OE1 GLU A 40 9.654 21.315 -15.964 1.00 0.00 O1- ATOM 580 OE2 GLU A 40 8.255 21.172 -14.272 1.00 0.00 O ATOM 0 H GLU A 40 11.080 16.051 -13.355 1.00 0.00 H new ATOM 0 HA GLU A 40 12.575 18.569 -13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.648 18.609 -15.223 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.548 18.375 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.290 20.517 -12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.448 20.745 -14.167 1.00 0.00 H new ATOM 587 N LEU A 41 11.608 19.134 -11.139 1.00 0.00 N ATOM 588 CA LEU A 41 11.236 19.290 -9.718 1.00 0.00 C ATOM 589 C LEU A 41 9.737 18.993 -9.490 1.00 0.00 C ATOM 590 O LEU A 41 9.373 18.319 -8.532 1.00 0.00 O ATOM 591 CB LEU A 41 11.623 20.713 -9.256 1.00 0.00 C ATOM 592 CG LEU A 41 11.979 20.882 -7.762 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.227 22.364 -7.490 1.00 0.00 C ATOM 594 CD2 LEU A 41 10.904 20.417 -6.781 1.00 0.00 C ATOM 0 H LEU A 41 12.109 19.937 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 41 11.782 18.563 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.476 21.044 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.795 21.383 -9.487 1.00 0.00 H new ATOM 0 HG LEU A 41 12.853 20.252 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.480 22.504 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.051 22.715 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.327 22.933 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.249 20.577 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.989 20.985 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.706 19.356 -6.934 1.00 0.00 H new ATOM 606 N SER A 42 8.875 19.401 -10.428 1.00 0.00 N ATOM 607 CA SER A 42 7.427 19.119 -10.439 1.00 0.00 C ATOM 608 C SER A 42 7.058 17.622 -10.377 1.00 0.00 C ATOM 609 O SER A 42 5.961 17.283 -9.929 1.00 0.00 O ATOM 610 CB SER A 42 6.794 19.704 -11.710 1.00 0.00 C ATOM 611 OG SER A 42 7.150 21.065 -11.891 1.00 0.00 O ATOM 0 H SER A 42 9.172 19.956 -11.230 1.00 0.00 H new ATOM 0 HA SER A 42 7.042 19.583 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.114 19.125 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.709 19.616 -11.651 1.00 0.00 H new ATOM 0 HG SER A 42 7.192 21.267 -12.849 1.00 0.00 H new ATOM 617 N ASP A 43 7.952 16.731 -10.816 1.00 0.00 N ATOM 618 CA ASP A 43 7.809 15.269 -10.744 1.00 0.00 C ATOM 619 C ASP A 43 8.579 14.649 -9.564 1.00 0.00 C ATOM 620 O ASP A 43 8.204 13.574 -9.091 1.00 0.00 O ATOM 621 CB ASP A 43 8.272 14.627 -12.061 1.00 0.00 C ATOM 622 CG ASP A 43 7.381 15.034 -13.246 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.165 14.714 -13.236 1.00 0.00 O ATOM 624 OD2 ASP A 43 7.892 15.673 -14.196 1.00 0.00 O1- ATOM 0 H ASP A 43 8.830 17.017 -11.249 1.00 0.00 H new ATOM 0 HA ASP A 43 6.751 15.065 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.302 14.920 -12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.264 13.542 -11.958 1.00 0.00 H new ATOM 629 N TRP A 44 9.621 15.322 -9.060 1.00 0.00 N ATOM 630 CA TRP A 44 10.307 14.953 -7.815 1.00 0.00 C ATOM 631 C TRP A 44 9.459 15.242 -6.559 1.00 0.00 C ATOM 632 O TRP A 44 9.429 14.440 -5.621 1.00 0.00 O ATOM 633 CB TRP A 44 11.656 15.681 -7.754 1.00 0.00 C ATOM 634 CG TRP A 44 12.514 15.314 -6.593 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.503 15.917 -5.385 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.507 14.247 -6.505 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.378 15.266 -4.541 1.00 0.00 N ATOM 638 CE2 TRP A 44 14.022 14.231 -5.178 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.012 13.282 -7.400 1.00 0.00 C ATOM 640 CZ2 TRP A 44 14.969 13.289 -4.757 1.00 0.00 C ATOM 641 CZ3 TRP A 44 14.964 12.330 -6.981 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.448 12.336 -5.667 1.00 0.00 C ATOM 0 H TRP A 44 10.016 16.148 -9.510 1.00 0.00 H new ATOM 0 HA TRP A 44 10.469 13.875 -7.822 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.205 15.475 -8.673 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.472 16.755 -7.726 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.903 16.775 -5.121 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.529 15.521 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.664 13.272 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.328 13.297 -3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.323 11.589 -7.680 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.186 11.611 -5.356 1.00 0.00 H new ATOM 653 N LEU A 45 8.747 16.375 -6.552 1.00 0.00 N ATOM 654 CA LEU A 45 7.927 16.891 -5.449 1.00 0.00 C ATOM 655 C LEU A 45 6.910 15.889 -4.845 1.00 0.00 C ATOM 656 O LEU A 45 6.891 15.772 -3.616 1.00 0.00 O ATOM 657 CB LEU A 45 7.350 18.249 -5.898 1.00 0.00 C ATOM 658 CG LEU A 45 6.374 19.015 -4.985 1.00 0.00 C ATOM 659 CD1 LEU A 45 4.987 18.381 -4.870 1.00 0.00 C ATOM 660 CD2 LEU A 45 6.949 19.273 -3.595 1.00 0.00 C ATOM 0 H LEU A 45 8.726 16.993 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 45 8.559 17.048 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.194 18.910 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.843 18.086 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 45 6.241 19.971 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.365 18.984 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.527 18.332 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.080 17.374 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.219 19.816 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.180 18.322 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.860 19.866 -3.682 1.00 0.00 H new ATOM 672 N PRO A 46 6.092 15.146 -5.625 1.00 0.00 N ATOM 673 CA PRO A 46 5.076 14.216 -5.105 1.00 0.00 C ATOM 674 C PRO A 46 5.552 13.078 -4.175 1.00 0.00 C ATOM 675 O PRO A 46 4.712 12.339 -3.654 1.00 0.00 O ATOM 676 CB PRO A 46 4.393 13.617 -6.342 1.00 0.00 C ATOM 677 CG PRO A 46 4.558 14.699 -7.401 1.00 0.00 C ATOM 678 CD PRO A 46 5.927 15.280 -7.064 1.00 0.00 C ATOM 0 HA PRO A 46 4.426 14.798 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.864 12.682 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.342 13.398 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.528 14.288 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.771 15.451 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.716 14.748 -7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.989 16.326 -7.366 1.00 0.00 H new ATOM 686 N TYR A 47 6.864 12.916 -3.962 1.00 0.00 N ATOM 687 CA TYR A 47 7.468 11.772 -3.272 1.00 0.00 C ATOM 688 C TYR A 47 8.262 12.129 -1.998 1.00 0.00 C ATOM 689 O TYR A 47 8.822 11.234 -1.367 1.00 0.00 O ATOM 690 CB TYR A 47 8.352 11.011 -4.270 1.00 0.00 C ATOM 691 CG TYR A 47 7.634 10.414 -5.466 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.007 9.156 -5.361 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.615 11.103 -6.694 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.352 8.591 -6.474 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.974 10.539 -7.813 1.00 0.00 C ATOM 696 CZ TYR A 47 6.339 9.283 -7.707 1.00 0.00 C ATOM 697 OH TYR A 47 5.717 8.745 -8.792 1.00 0.00 O ATOM 0 H TYR A 47 7.554 13.599 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 47 6.648 11.149 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.123 11.690 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.860 10.208 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.029 8.622 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.094 12.067 -6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.862 7.633 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.968 11.068 -8.754 1.00 0.00 H new ATOM 0 HH TYR A 47 5.804 9.354 -9.555 1.00 0.00 H new ATOM 707 N GLN A 48 8.315 13.397 -1.563 1.00 0.00 N ATOM 708 CA GLN A 48 9.022 13.783 -0.323 1.00 0.00 C ATOM 709 C GLN A 48 8.393 13.174 0.951 1.00 0.00 C ATOM 710 O GLN A 48 9.103 12.888 1.916 1.00 0.00 O ATOM 711 CB GLN A 48 9.128 15.317 -0.211 1.00 0.00 C ATOM 712 CG GLN A 48 10.397 15.906 -0.857 1.00 0.00 C ATOM 713 CD GLN A 48 10.413 15.864 -2.381 1.00 0.00 C ATOM 714 OE1 GLN A 48 10.226 16.878 -3.033 1.00 0.00 O ATOM 715 NE2 GLN A 48 10.635 14.727 -3.007 1.00 0.00 N ATOM 0 H GLN A 48 7.876 14.178 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 48 10.026 13.365 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.252 15.767 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.106 15.597 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.506 16.941 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.265 15.363 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.793 13.873 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.649 14.700 -4.027 1.00 0.00 H new ATOM 724 N ASP A 49 7.082 12.903 0.936 1.00 0.00 N ATOM 725 CA ASP A 49 6.366 12.156 1.989 1.00 0.00 C ATOM 726 C ASP A 49 6.480 10.617 1.828 1.00 0.00 C ATOM 727 O ASP A 49 5.858 9.853 2.571 1.00 0.00 O ATOM 728 CB ASP A 49 4.898 12.618 1.974 1.00 0.00 C ATOM 729 CG ASP A 49 4.097 12.157 3.204 1.00 0.00 C ATOM 730 OD1 ASP A 49 4.530 12.423 4.353 1.00 0.00 O1- ATOM 731 OD2 ASP A 49 2.995 11.578 3.029 1.00 0.00 O ATOM 0 H ASP A 49 6.471 13.202 0.176 1.00 0.00 H new ATOM 0 HA ASP A 49 6.827 12.372 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.868 13.706 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.415 12.239 1.073 1.00 0.00 H new ATOM 736 N LYS A 50 7.273 10.158 0.848 1.00 0.00 N ATOM 737 CA LYS A 50 7.365 8.769 0.362 1.00 0.00 C ATOM 738 C LYS A 50 8.843 8.370 0.174 1.00 0.00 C ATOM 739 O LYS A 50 9.654 8.611 1.075 1.00 0.00 O ATOM 740 CB LYS A 50 6.508 8.633 -0.927 1.00 0.00 C ATOM 741 CG LYS A 50 5.102 9.242 -0.802 1.00 0.00 C ATOM 742 CD LYS A 50 4.290 9.113 -2.094 1.00 0.00 C ATOM 743 CE LYS A 50 3.021 9.961 -1.948 1.00 0.00 C ATOM 744 NZ LYS A 50 2.263 10.014 -3.224 1.00 0.00 N1+ ATOM 0 H LYS A 50 7.904 10.780 0.343 1.00 0.00 H new ATOM 0 HA LYS A 50 6.960 8.069 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.031 9.115 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.416 7.577 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.567 8.750 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.188 10.295 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.877 9.451 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.031 8.070 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.390 9.544 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.289 10.971 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.360 10.508 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.821 10.525 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.077 9.047 -3.557 1.00 0.00 H new ATOM 758 N TYR A 51 9.184 7.764 -0.967 1.00 0.00 N ATOM 759 CA TYR A 51 10.537 7.361 -1.355 1.00 0.00 C ATOM 760 C TYR A 51 10.795 7.656 -2.843 1.00 0.00 C ATOM 761 O TYR A 51 9.871 7.779 -3.651 1.00 0.00 O ATOM 762 CB TYR A 51 10.742 5.857 -1.094 1.00 0.00 C ATOM 763 CG TYR A 51 10.502 5.347 0.318 1.00 0.00 C ATOM 764 CD1 TYR A 51 9.195 5.043 0.746 1.00 0.00 C ATOM 765 CD2 TYR A 51 11.596 5.075 1.162 1.00 0.00 C ATOM 766 CE1 TYR A 51 8.975 4.480 2.018 1.00 0.00 C ATOM 767 CE2 TYR A 51 11.384 4.506 2.433 1.00 0.00 C ATOM 768 CZ TYR A 51 10.073 4.209 2.865 1.00 0.00 C ATOM 769 OH TYR A 51 9.878 3.644 4.087 1.00 0.00 O ATOM 0 H TYR A 51 8.491 7.531 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 51 11.241 7.936 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.083 5.307 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.765 5.604 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.357 5.243 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.599 5.303 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.970 4.256 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.225 4.297 3.078 1.00 0.00 H new ATOM 0 HH TYR A 51 10.742 3.527 4.535 1.00 0.00 H new ATOM 779 N VAL A 52 12.070 7.737 -3.210 1.00 0.00 N ATOM 780 CA VAL A 52 12.566 8.052 -4.566 1.00 0.00 C ATOM 781 C VAL A 52 13.795 7.206 -4.893 1.00 0.00 C ATOM 782 O VAL A 52 14.354 6.555 -4.016 1.00 0.00 O ATOM 783 CB VAL A 52 12.905 9.547 -4.700 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.676 10.448 -4.547 1.00 0.00 C ATOM 785 CG2 VAL A 52 13.975 10.008 -3.721 1.00 0.00 C ATOM 0 H VAL A 52 12.829 7.579 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 52 11.773 7.817 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 52 13.295 9.645 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.974 11.491 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.946 10.201 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.232 10.294 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.168 11.071 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.632 9.838 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.893 9.446 -3.893 1.00 0.00 H new ATOM 795 N LEU A 53 14.238 7.183 -6.146 1.00 0.00 N ATOM 796 CA LEU A 53 15.448 6.471 -6.561 1.00 0.00 C ATOM 797 C LEU A 53 15.990 7.055 -7.871 1.00 0.00 C ATOM 798 O LEU A 53 15.257 7.616 -8.688 1.00 0.00 O ATOM 799 CB LEU A 53 15.145 4.954 -6.526 1.00 0.00 C ATOM 800 CG LEU A 53 15.638 4.019 -7.644 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.120 3.652 -7.522 1.00 0.00 C ATOM 802 CD2 LEU A 53 14.871 2.696 -7.582 1.00 0.00 C ATOM 0 H LEU A 53 13.764 7.662 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 53 16.284 6.612 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.548 4.570 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.062 4.846 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 53 15.478 4.564 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.400 2.991 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.724 4.558 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.292 3.145 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.221 2.035 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.039 2.223 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.806 2.887 -7.713 1.00 0.00 H new ATOM 814 N VAL A 54 17.304 6.953 -8.043 1.00 0.00 N ATOM 815 CA VAL A 54 18.065 7.629 -9.097 1.00 0.00 C ATOM 816 C VAL A 54 18.787 6.607 -9.971 1.00 0.00 C ATOM 817 O VAL A 54 19.414 5.686 -9.446 1.00 0.00 O ATOM 818 CB VAL A 54 19.100 8.556 -8.436 1.00 0.00 C ATOM 819 CG1 VAL A 54 19.877 9.382 -9.467 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.470 9.517 -7.416 1.00 0.00 C ATOM 0 H VAL A 54 17.890 6.381 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 54 17.384 8.204 -9.724 1.00 0.00 H new ATOM 0 HB VAL A 54 19.785 7.887 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.596 10.021 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.406 8.713 -10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.183 10.000 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.246 10.147 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.731 10.144 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.985 8.943 -6.627 1.00 0.00 H new ATOM 830 N VAL A 55 18.758 6.794 -11.292 1.00 0.00 N ATOM 831 CA VAL A 55 19.503 5.985 -12.277 1.00 0.00 C ATOM 832 C VAL A 55 20.147 6.950 -13.283 1.00 0.00 C ATOM 833 O VAL A 55 19.523 7.361 -14.262 1.00 0.00 O ATOM 834 CB VAL A 55 18.609 4.915 -12.936 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.487 3.894 -13.663 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.764 4.126 -11.919 1.00 0.00 C ATOM 0 H VAL A 55 18.202 7.531 -11.725 1.00 0.00 H new ATOM 0 HA VAL A 55 20.290 5.414 -11.785 1.00 0.00 H new ATOM 0 HB VAL A 55 17.942 5.451 -13.612 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.856 3.137 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.074 4.399 -14.430 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.158 3.417 -12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.157 3.389 -12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.423 3.618 -11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.113 4.812 -11.377 1.00 0.00 H new ATOM 846 N THR A 56 21.414 7.310 -13.062 1.00 0.00 N ATOM 847 CA THR A 56 22.089 8.422 -13.782 1.00 0.00 C ATOM 848 C THR A 56 23.488 8.069 -14.296 1.00 0.00 C ATOM 849 O THR A 56 24.038 7.020 -13.983 1.00 0.00 O ATOM 850 CB THR A 56 22.079 9.658 -12.846 1.00 0.00 C ATOM 851 OG1 THR A 56 20.734 10.011 -12.628 1.00 0.00 O ATOM 852 CG2 THR A 56 22.737 10.943 -13.355 1.00 0.00 C ATOM 0 H THR A 56 22.012 6.845 -12.379 1.00 0.00 H new ATOM 0 HA THR A 56 21.538 8.642 -14.697 1.00 0.00 H new ATOM 0 HB THR A 56 22.655 9.333 -11.979 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.683 10.684 -11.917 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.653 11.720 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.789 10.754 -13.566 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.237 11.271 -14.266 1.00 0.00 H new ATOM 860 N SER A 57 24.056 8.935 -15.137 1.00 0.00 N ATOM 861 CA SER A 57 25.359 8.748 -15.791 1.00 0.00 C ATOM 862 C SER A 57 26.204 10.030 -15.799 1.00 0.00 C ATOM 863 O SER A 57 25.988 10.895 -14.957 1.00 0.00 O ATOM 864 CB SER A 57 25.099 8.166 -17.183 1.00 0.00 C ATOM 865 OG SER A 57 24.317 9.044 -17.968 1.00 0.00 O ATOM 0 H SER A 57 23.610 9.816 -15.392 1.00 0.00 H new ATOM 0 HA SER A 57 25.970 8.045 -15.224 1.00 0.00 H new ATOM 0 HB2 SER A 57 26.049 7.975 -17.683 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.590 7.207 -17.089 1.00 0.00 H new ATOM 0 HG SER A 57 23.429 9.140 -17.565 1.00 0.00 H new ATOM 871 N THR A 58 27.190 10.151 -16.695 1.00 0.00 N ATOM 872 CA THR A 58 28.185 11.256 -16.749 1.00 0.00 C ATOM 873 C THR A 58 28.382 11.748 -18.198 1.00 0.00 C ATOM 874 O THR A 58 28.205 10.973 -19.135 1.00 0.00 O ATOM 875 CB THR A 58 29.520 10.768 -16.154 1.00 0.00 C ATOM 876 OG1 THR A 58 29.295 10.204 -14.883 1.00 0.00 O ATOM 877 CG2 THR A 58 30.561 11.856 -15.924 1.00 0.00 C ATOM 0 H THR A 58 27.332 9.463 -17.434 1.00 0.00 H new ATOM 0 HA THR A 58 27.815 12.097 -16.162 1.00 0.00 H new ATOM 0 HB THR A 58 29.901 10.067 -16.896 1.00 0.00 H new ATOM 0 HG1 THR A 58 30.145 9.893 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.464 11.413 -15.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.801 12.337 -16.872 1.00 0.00 H new ATOM 0 HG23 THR A 58 30.165 12.598 -15.231 1.00 0.00 H new ATOM 885 N THR A 59 28.747 13.024 -18.399 1.00 0.00 N ATOM 886 CA THR A 59 28.971 13.647 -19.722 1.00 0.00 C ATOM 887 C THR A 59 30.020 14.767 -19.652 1.00 0.00 C ATOM 888 O THR A 59 30.595 15.018 -18.593 1.00 0.00 O ATOM 889 CB THR A 59 27.638 14.153 -20.306 1.00 0.00 C ATOM 890 OG1 THR A 59 27.754 14.423 -21.676 1.00 0.00 O ATOM 891 CG2 THR A 59 27.147 15.455 -19.682 1.00 0.00 C ATOM 0 H THR A 59 28.900 13.673 -17.627 1.00 0.00 H new ATOM 0 HA THR A 59 29.370 12.886 -20.393 1.00 0.00 H new ATOM 0 HB THR A 59 26.936 13.347 -20.093 1.00 0.00 H new ATOM 0 HG1 THR A 59 26.864 14.417 -22.087 1.00 0.00 H new ATOM 0 HG21 THR A 59 26.204 15.747 -20.144 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.997 15.312 -18.612 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.888 16.238 -19.843 1.00 0.00 H new ATOM 930 N ASP A 63 30.559 16.232 -16.033 1.00 0.00 N ATOM 931 CA ASP A 63 29.312 16.878 -15.607 1.00 0.00 C ATOM 932 C ASP A 63 28.116 15.901 -15.600 1.00 0.00 C ATOM 933 O ASP A 63 28.198 14.776 -16.106 1.00 0.00 O ATOM 934 CB ASP A 63 29.064 18.056 -16.567 1.00 0.00 C ATOM 935 CG ASP A 63 27.987 19.052 -16.097 1.00 0.00 C ATOM 936 OD1 ASP A 63 27.656 19.080 -14.889 1.00 0.00 O1- ATOM 937 OD2 ASP A 63 27.499 19.839 -16.941 1.00 0.00 O ATOM 0 HA ASP A 63 29.409 17.226 -14.579 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.001 18.595 -16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.773 17.660 -17.540 1.00 0.00 H new ATOM 942 N LEU A 64 26.982 16.326 -15.038 1.00 0.00 N ATOM 943 CA LEU A 64 25.711 15.603 -15.144 1.00 0.00 C ATOM 944 C LEU A 64 25.155 15.662 -16.592 1.00 0.00 C ATOM 945 O LEU A 64 25.277 16.702 -17.246 1.00 0.00 O ATOM 946 CB LEU A 64 24.663 16.170 -14.168 1.00 0.00 C ATOM 947 CG LEU A 64 25.053 16.071 -12.679 1.00 0.00 C ATOM 948 CD1 LEU A 64 25.573 17.411 -12.158 1.00 0.00 C ATOM 949 CD2 LEU A 64 23.842 15.670 -11.838 1.00 0.00 C ATOM 0 H LEU A 64 26.919 17.186 -14.493 1.00 0.00 H new ATOM 0 HA LEU A 64 25.909 14.564 -14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 64 24.485 17.217 -14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.721 15.642 -14.319 1.00 0.00 H new ATOM 0 HG LEU A 64 25.836 15.318 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 64 25.841 17.313 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 64 26.452 17.707 -12.730 1.00 0.00 H new ATOM 0 HD13 LEU A 64 24.797 18.169 -12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.133 15.604 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 23.057 16.418 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 64 23.471 14.701 -12.173 1.00 0.00 H new ATOM 961 N PRO A 65 24.509 14.586 -17.092 1.00 0.00 N ATOM 962 CA PRO A 65 23.759 14.564 -18.348 1.00 0.00 C ATOM 963 C PRO A 65 22.754 15.706 -18.443 1.00 0.00 C ATOM 964 O PRO A 65 22.017 15.969 -17.492 1.00 0.00 O ATOM 965 CB PRO A 65 23.037 13.209 -18.380 1.00 0.00 C ATOM 966 CG PRO A 65 23.946 12.335 -17.528 1.00 0.00 C ATOM 967 CD PRO A 65 24.377 13.305 -16.439 1.00 0.00 C ATOM 0 HA PRO A 65 24.433 14.693 -19.195 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.031 13.275 -17.965 1.00 0.00 H new ATOM 0 HB3 PRO A 65 22.939 12.825 -19.395 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.420 11.471 -17.122 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.795 11.953 -18.095 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.640 13.348 -15.637 1.00 0.00 H new ATOM 0 HD3 PRO A 65 25.320 12.995 -15.989 1.00 0.00 H new ATOM 975 N ASP A 66 22.652 16.354 -19.604 1.00 0.00 N ATOM 976 CA ASP A 66 21.770 17.519 -19.740 1.00 0.00 C ATOM 977 C ASP A 66 20.283 17.189 -19.492 1.00 0.00 C ATOM 978 O ASP A 66 19.521 18.040 -19.037 1.00 0.00 O ATOM 979 CB ASP A 66 21.986 18.157 -21.117 1.00 0.00 C ATOM 980 CG ASP A 66 21.212 19.476 -21.270 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.579 20.473 -20.602 1.00 0.00 O ATOM 982 OD2 ASP A 66 20.259 19.534 -22.084 1.00 0.00 O1- ATOM 0 H ASP A 66 23.159 16.100 -20.452 1.00 0.00 H new ATOM 0 HA ASP A 66 22.038 18.233 -18.961 1.00 0.00 H new ATOM 0 HB2 ASP A 66 23.050 18.342 -21.268 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.670 17.460 -21.893 1.00 0.00 H new ATOM 987 N SER A 67 19.894 15.923 -19.686 1.00 0.00 N ATOM 988 CA SER A 67 18.575 15.368 -19.345 1.00 0.00 C ATOM 989 C SER A 67 18.218 15.423 -17.846 1.00 0.00 C ATOM 990 O SER A 67 17.039 15.309 -17.512 1.00 0.00 O ATOM 991 CB SER A 67 18.490 13.910 -19.820 1.00 0.00 C ATOM 992 OG SER A 67 18.859 13.801 -21.189 1.00 0.00 O ATOM 0 H SER A 67 20.514 15.228 -20.102 1.00 0.00 H new ATOM 0 HA SER A 67 17.852 16.004 -19.856 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.145 13.286 -19.212 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.475 13.537 -19.682 1.00 0.00 H new ATOM 0 HG SER A 67 19.542 13.106 -21.289 1.00 0.00 H new ATOM 998 N ILE A 68 19.199 15.603 -16.943 1.00 0.00 N ATOM 999 CA ILE A 68 18.987 15.697 -15.480 1.00 0.00 C ATOM 1000 C ILE A 68 19.556 16.978 -14.851 1.00 0.00 C ATOM 1001 O ILE A 68 19.201 17.307 -13.722 1.00 0.00 O ATOM 1002 CB ILE A 68 19.470 14.404 -14.777 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.738 14.187 -13.437 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.998 14.370 -14.598 1.00 0.00 C ATOM 1005 CD1 ILE A 68 19.019 12.830 -12.780 1.00 0.00 C ATOM 0 H ILE A 68 20.180 15.689 -17.210 1.00 0.00 H new ATOM 0 HA ILE A 68 17.912 15.781 -15.318 1.00 0.00 H new ATOM 0 HB ILE A 68 19.215 13.573 -15.434 1.00 0.00 H new ATOM 0 HG12 ILE A 68 19.026 14.979 -12.746 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.665 14.283 -13.602 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.286 13.444 -14.101 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.480 14.422 -15.574 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.312 15.220 -13.992 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.467 12.758 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.704 12.029 -13.449 1.00 0.00 H new ATOM 0 HD13 ILE A 68 20.086 12.737 -12.580 1.00 0.00 H new ATOM 1017 N VAL A 69 20.351 17.769 -15.581 1.00 0.00 N ATOM 1018 CA VAL A 69 20.772 19.123 -15.158 1.00 0.00 C ATOM 1019 C VAL A 69 19.602 19.981 -14.635 1.00 0.00 C ATOM 1020 O VAL A 69 19.724 20.476 -13.516 1.00 0.00 O ATOM 1021 CB VAL A 69 21.564 19.832 -16.279 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.783 21.330 -16.022 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.956 19.202 -16.412 1.00 0.00 C ATOM 0 H VAL A 69 20.726 17.492 -16.488 1.00 0.00 H new ATOM 0 HA VAL A 69 21.443 18.996 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 69 20.963 19.714 -17.181 1.00 0.00 H new ATOM 0 HG11 VAL A 69 22.346 21.763 -16.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.818 21.830 -15.939 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.341 21.462 -15.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.509 19.706 -17.204 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.494 19.307 -15.470 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.855 18.145 -16.657 1.00 0.00 H new ATOM 1033 N PRO A 70 18.437 20.109 -15.313 1.00 0.00 N ATOM 1034 CA PRO A 70 17.325 20.912 -14.789 1.00 0.00 C ATOM 1035 C PRO A 70 16.653 20.325 -13.535 1.00 0.00 C ATOM 1036 O PRO A 70 15.980 21.058 -12.810 1.00 0.00 O ATOM 1037 CB PRO A 70 16.341 21.050 -15.956 1.00 0.00 C ATOM 1038 CG PRO A 70 16.588 19.798 -16.787 1.00 0.00 C ATOM 1039 CD PRO A 70 18.095 19.599 -16.638 1.00 0.00 C ATOM 0 HA PRO A 70 17.695 21.876 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.310 21.101 -15.606 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.528 21.956 -16.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.026 18.943 -16.411 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.297 19.937 -17.828 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.361 18.546 -16.732 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.639 20.136 -17.415 1.00 0.00 H new ATOM 1047 N LEU A 71 16.858 19.034 -13.232 1.00 0.00 N ATOM 1048 CA LEU A 71 16.385 18.413 -11.988 1.00 0.00 C ATOM 1049 C LEU A 71 17.374 18.713 -10.856 1.00 0.00 C ATOM 1050 O LEU A 71 16.974 19.106 -9.762 1.00 0.00 O ATOM 1051 CB LEU A 71 16.214 16.893 -12.212 1.00 0.00 C ATOM 1052 CG LEU A 71 15.681 16.153 -10.971 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.251 16.566 -10.635 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.689 14.643 -11.183 1.00 0.00 C ATOM 0 H LEU A 71 17.358 18.391 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 71 15.417 18.825 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.531 16.730 -13.046 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.174 16.464 -12.498 1.00 0.00 H new ATOM 0 HG LEU A 71 16.345 16.424 -10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.913 16.021 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.219 17.637 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.598 16.335 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.307 14.148 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.057 14.392 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.708 14.308 -11.376 1.00 0.00 H new ATOM 1066 N PHE A 72 18.669 18.589 -11.153 1.00 0.00 N ATOM 1067 CA PHE A 72 19.766 18.859 -10.238 1.00 0.00 C ATOM 1068 C PHE A 72 19.798 20.343 -9.821 1.00 0.00 C ATOM 1069 O PHE A 72 19.759 20.636 -8.630 1.00 0.00 O ATOM 1070 CB PHE A 72 21.035 18.358 -10.940 1.00 0.00 C ATOM 1071 CG PHE A 72 22.325 18.683 -10.231 1.00 0.00 C ATOM 1072 CD1 PHE A 72 22.838 17.830 -9.240 1.00 0.00 C ATOM 1073 CD2 PHE A 72 23.018 19.847 -10.588 1.00 0.00 C ATOM 1074 CE1 PHE A 72 24.037 18.163 -8.583 1.00 0.00 C ATOM 1075 CE2 PHE A 72 24.227 20.174 -9.944 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.731 19.334 -8.932 1.00 0.00 C ATOM 0 H PHE A 72 18.988 18.286 -12.073 1.00 0.00 H new ATOM 0 HA PHE A 72 19.658 18.335 -9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 72 20.965 17.277 -11.057 1.00 0.00 H new ATOM 0 HB3 PHE A 72 21.071 18.785 -11.942 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.314 16.921 -8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.625 20.494 -11.358 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.425 17.517 -7.809 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.766 21.066 -10.225 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.650 19.590 -8.425 1.00 0.00 H new ATOM 1086 N GLN A 73 19.736 21.295 -10.767 1.00 0.00 N ATOM 1087 CA GLN A 73 19.622 22.728 -10.437 1.00 0.00 C ATOM 1088 C GLN A 73 18.325 23.049 -9.672 1.00 0.00 C ATOM 1089 O GLN A 73 18.357 23.795 -8.694 1.00 0.00 O ATOM 1090 CB GLN A 73 19.700 23.612 -11.698 1.00 0.00 C ATOM 1091 CG GLN A 73 20.964 23.485 -12.566 1.00 0.00 C ATOM 1092 CD GLN A 73 22.290 23.611 -11.817 1.00 0.00 C ATOM 1093 OE1 GLN A 73 22.454 24.355 -10.859 1.00 0.00 O ATOM 1094 NE2 GLN A 73 23.291 22.857 -12.219 1.00 0.00 N ATOM 0 H GLN A 73 19.763 21.099 -11.768 1.00 0.00 H new ATOM 0 HA GLN A 73 20.470 22.953 -9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.836 23.386 -12.323 1.00 0.00 H new ATOM 0 HB3 GLN A 73 19.606 24.653 -11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.942 22.519 -13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.930 24.251 -13.341 1.00 0.00 H new ATOM 0 HE21 GLN A 73 23.171 22.232 -13.016 1.00 0.00 H new ATOM 0 HE22 GLN A 73 24.187 22.898 -11.734 1.00 0.00 H new ATOM 1103 N GLY A 74 17.192 22.456 -10.075 1.00 0.00 N ATOM 1104 CA GLY A 74 15.885 22.698 -9.458 1.00 0.00 C ATOM 1105 C GLY A 74 15.839 22.288 -7.986 1.00 0.00 C ATOM 1106 O GLY A 74 15.478 23.091 -7.129 1.00 0.00 O ATOM 0 H GLY A 74 17.160 21.789 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.639 23.756 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.121 22.148 -10.008 1.00 0.00 H new ATOM 1110 N ILE A 75 16.273 21.066 -7.657 1.00 0.00 N ATOM 1111 CA ILE A 75 16.338 20.594 -6.266 1.00 0.00 C ATOM 1112 C ILE A 75 17.367 21.406 -5.458 1.00 0.00 C ATOM 1113 O ILE A 75 17.116 21.743 -4.298 1.00 0.00 O ATOM 1114 CB ILE A 75 16.632 19.080 -6.271 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.414 18.293 -6.808 1.00 0.00 C ATOM 1116 CG2 ILE A 75 17.032 18.558 -4.876 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.740 16.835 -7.155 1.00 0.00 C ATOM 0 H ILE A 75 16.588 20.379 -8.342 1.00 0.00 H new ATOM 0 HA ILE A 75 15.381 20.751 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 75 17.482 18.921 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.620 18.313 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.030 18.794 -7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.229 17.487 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.930 19.075 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.220 18.742 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 75 14.843 16.340 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.513 16.808 -7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.097 16.320 -6.263 1.00 0.00 H new ATOM 1129 N LYS A 76 18.514 21.748 -6.057 1.00 0.00 N ATOM 1130 CA LYS A 76 19.595 22.493 -5.389 1.00 0.00 C ATOM 1131 C LYS A 76 19.205 23.932 -5.006 1.00 0.00 C ATOM 1132 O LYS A 76 19.602 24.400 -3.940 1.00 0.00 O ATOM 1133 CB LYS A 76 20.835 22.467 -6.299 1.00 0.00 C ATOM 1134 CG LYS A 76 22.100 23.035 -5.638 1.00 0.00 C ATOM 1135 CD LYS A 76 23.375 22.643 -6.405 1.00 0.00 C ATOM 1136 CE LYS A 76 23.372 23.008 -7.902 1.00 0.00 C ATOM 1137 NZ LYS A 76 23.379 24.482 -8.141 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.723 21.515 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 76 19.811 22.002 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.027 21.439 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.622 23.036 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.026 24.121 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.168 22.672 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.229 23.126 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.523 21.567 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 24.244 22.563 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.492 22.573 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.058 24.678 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.741 24.946 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.344 24.850 -8.015 1.00 0.00 H new ATOM 1151 N ASP A 77 18.413 24.610 -5.843 1.00 0.00 N ATOM 1152 CA ASP A 77 18.131 26.053 -5.726 1.00 0.00 C ATOM 1153 C ASP A 77 16.674 26.402 -5.360 1.00 0.00 C ATOM 1154 O ASP A 77 16.428 27.484 -4.818 1.00 0.00 O ATOM 1155 CB ASP A 77 18.541 26.731 -7.040 1.00 0.00 C ATOM 1156 CG ASP A 77 18.556 28.265 -6.935 1.00 0.00 C ATOM 1157 OD1 ASP A 77 19.372 28.812 -6.154 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 17.786 28.936 -7.665 1.00 0.00 O ATOM 0 H ASP A 77 17.941 24.170 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 77 18.716 26.426 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.531 26.381 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.852 26.431 -7.829 1.00 0.00 H new ATOM 1163 N SER A 78 15.721 25.488 -5.580 1.00 0.00 N ATOM 1164 CA SER A 78 14.274 25.705 -5.361 1.00 0.00 C ATOM 1165 C SER A 78 13.621 24.657 -4.439 1.00 0.00 C ATOM 1166 O SER A 78 12.396 24.634 -4.296 1.00 0.00 O ATOM 1167 CB SER A 78 13.535 25.787 -6.708 1.00 0.00 C ATOM 1168 OG SER A 78 14.037 26.847 -7.508 1.00 0.00 O ATOM 0 H SER A 78 15.934 24.552 -5.924 1.00 0.00 H new ATOM 0 HA SER A 78 14.183 26.657 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.642 24.843 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.469 25.934 -6.532 1.00 0.00 H new ATOM 0 HG SER A 78 13.550 26.874 -8.358 1.00 0.00 H new ATOM 1174 N LEU A 79 14.429 23.823 -3.768 1.00 0.00 N ATOM 1175 CA LEU A 79 14.007 22.876 -2.726 1.00 0.00 C ATOM 1176 C LEU A 79 14.899 23.025 -1.473 1.00 0.00 C ATOM 1177 O LEU A 79 14.393 23.242 -0.371 1.00 0.00 O ATOM 1178 CB LEU A 79 14.017 21.459 -3.337 1.00 0.00 C ATOM 1179 CG LEU A 79 12.904 20.543 -2.814 1.00 0.00 C ATOM 1180 CD1 LEU A 79 12.957 19.216 -3.569 1.00 0.00 C ATOM 1181 CD2 LEU A 79 13.034 20.251 -1.321 1.00 0.00 C ATOM 0 H LEU A 79 15.433 23.789 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 79 12.993 23.083 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.926 21.541 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.981 20.994 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 79 11.958 21.060 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.169 18.558 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.814 19.397 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.927 18.745 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.220 19.598 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.988 19.760 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.987 21.186 -0.762 1.00 0.00 H new ATOM 1193 N GLY A 80 16.227 22.981 -1.647 1.00 0.00 N ATOM 1194 CA GLY A 80 17.247 23.330 -0.642 1.00 0.00 C ATOM 1195 C GLY A 80 17.444 22.423 0.587 1.00 0.00 C ATOM 1196 O GLY A 80 18.563 22.370 1.098 1.00 0.00 O ATOM 0 H GLY A 80 16.641 22.688 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.205 23.393 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.015 24.330 -0.276 1.00 0.00 H new ATOM 1200 N PHE A 81 16.422 21.710 1.076 1.00 0.00 N ATOM 1201 CA PHE A 81 16.507 20.890 2.301 1.00 0.00 C ATOM 1202 C PHE A 81 15.504 19.720 2.283 1.00 0.00 C ATOM 1203 O PHE A 81 14.347 19.902 1.898 1.00 0.00 O ATOM 1204 CB PHE A 81 16.276 21.809 3.517 1.00 0.00 C ATOM 1205 CG PHE A 81 16.518 21.178 4.880 1.00 0.00 C ATOM 1206 CD1 PHE A 81 17.730 20.512 5.154 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.556 21.321 5.900 1.00 0.00 C ATOM 1208 CE1 PHE A 81 17.965 19.969 6.431 1.00 0.00 C ATOM 1209 CE2 PHE A 81 15.803 20.795 7.180 1.00 0.00 C ATOM 1210 CZ PHE A 81 17.002 20.112 7.444 1.00 0.00 C ATOM 0 H PHE A 81 15.504 21.683 0.633 1.00 0.00 H new ATOM 0 HA PHE A 81 17.497 20.438 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 81 16.926 22.679 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.249 22.173 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.480 20.418 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.628 21.835 5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.886 19.442 6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.069 20.916 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 81 17.183 19.697 8.425 1.00 0.00 H new ATOM 1220 N GLN A 82 15.943 18.521 2.693 1.00 0.00 N ATOM 1221 CA GLN A 82 15.210 17.250 2.543 1.00 0.00 C ATOM 1222 C GLN A 82 15.536 16.217 3.658 1.00 0.00 C ATOM 1223 O GLN A 82 15.917 15.083 3.363 1.00 0.00 O ATOM 1224 CB GLN A 82 15.471 16.726 1.103 1.00 0.00 C ATOM 1225 CG GLN A 82 14.258 16.983 0.199 1.00 0.00 C ATOM 1226 CD GLN A 82 14.490 16.581 -1.252 1.00 0.00 C ATOM 1227 OE1 GLN A 82 13.728 15.818 -1.817 1.00 0.00 O ATOM 1228 NE2 GLN A 82 15.521 17.054 -1.921 1.00 0.00 N ATOM 0 H GLN A 82 16.846 18.403 3.153 1.00 0.00 H new ATOM 0 HA GLN A 82 14.141 17.421 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.350 17.217 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.687 15.658 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.401 16.433 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.002 18.042 0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.173 17.695 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.668 16.780 -2.892 1.00 0.00 H new ATOM 1237 N PRO A 83 15.363 16.552 4.956 1.00 0.00 N ATOM 1238 CA PRO A 83 15.795 15.713 6.090 1.00 0.00 C ATOM 1239 C PRO A 83 15.099 14.340 6.198 1.00 0.00 C ATOM 1240 O PRO A 83 15.603 13.432 6.863 1.00 0.00 O ATOM 1241 CB PRO A 83 15.524 16.555 7.341 1.00 0.00 C ATOM 1242 CG PRO A 83 14.387 17.479 6.915 1.00 0.00 C ATOM 1243 CD PRO A 83 14.718 17.760 5.451 1.00 0.00 C ATOM 0 HA PRO A 83 16.845 15.452 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.238 15.932 8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.407 17.119 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.413 17.002 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.364 18.393 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.816 17.984 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.377 18.623 5.357 1.00 0.00 H new ATOM 1251 N ASN A 84 13.947 14.183 5.539 1.00 0.00 N ATOM 1252 CA ASN A 84 13.076 13.000 5.567 1.00 0.00 C ATOM 1253 C ASN A 84 13.009 12.251 4.215 1.00 0.00 C ATOM 1254 O ASN A 84 12.317 11.236 4.103 1.00 0.00 O ATOM 1255 CB ASN A 84 11.681 13.460 6.043 1.00 0.00 C ATOM 1256 CG ASN A 84 11.009 14.492 5.141 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.558 14.990 4.168 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.800 14.883 5.470 1.00 0.00 N ATOM 0 H ASN A 84 13.575 14.918 4.938 1.00 0.00 H new ATOM 0 HA ASN A 84 13.494 12.268 6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.032 12.587 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.773 13.878 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.326 15.596 4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.334 14.473 6.280 1.00 0.00 H new ATOM 1265 N LEU A 85 13.724 12.730 3.192 1.00 0.00 N ATOM 1266 CA LEU A 85 13.829 12.090 1.878 1.00 0.00 C ATOM 1267 C LEU A 85 14.626 10.783 2.015 1.00 0.00 C ATOM 1268 O LEU A 85 15.767 10.804 2.474 1.00 0.00 O ATOM 1269 CB LEU A 85 14.483 13.104 0.914 1.00 0.00 C ATOM 1270 CG LEU A 85 14.506 12.791 -0.597 1.00 0.00 C ATOM 1271 CD1 LEU A 85 15.407 11.626 -0.990 1.00 0.00 C ATOM 1272 CD2 LEU A 85 13.099 12.548 -1.146 1.00 0.00 C ATOM 0 H LEU A 85 14.259 13.596 3.257 1.00 0.00 H new ATOM 0 HA LEU A 85 12.854 11.818 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.973 14.059 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.514 13.247 1.236 1.00 0.00 H new ATOM 0 HG LEU A 85 14.933 13.687 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.361 11.478 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.434 11.845 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.072 10.720 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.157 12.331 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.647 11.702 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.489 13.437 -0.990 1.00 0.00 H new ATOM 1284 N ARG A 86 14.056 9.648 1.595 1.00 0.00 N ATOM 1285 CA ARG A 86 14.691 8.318 1.621 1.00 0.00 C ATOM 1286 C ARG A 86 14.739 7.758 0.210 1.00 0.00 C ATOM 1287 O ARG A 86 13.783 7.904 -0.553 1.00 0.00 O ATOM 1288 CB ARG A 86 13.908 7.380 2.545 1.00 0.00 C ATOM 1289 CG ARG A 86 14.091 7.768 4.021 1.00 0.00 C ATOM 1290 CD ARG A 86 12.891 7.335 4.880 1.00 0.00 C ATOM 1291 NE ARG A 86 11.632 7.927 4.371 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.399 7.559 4.652 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.130 6.760 5.645 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.409 7.992 3.925 1.00 0.00 N ATOM 0 H ARG A 86 13.110 9.625 1.215 1.00 0.00 H new ATOM 0 HA ARG A 86 15.707 8.406 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.849 7.412 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.242 6.354 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.000 7.307 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.223 8.847 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.812 6.248 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.050 7.642 5.914 1.00 0.00 H new ATOM 0 HE ARG A 86 11.732 8.712 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.885 6.401 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.165 6.493 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.589 8.616 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.454 7.707 4.142 1.00 0.00 H new ATOM 1308 N TYR A 87 15.864 7.131 -0.131 1.00 0.00 N ATOM 1309 CA TYR A 87 16.138 6.768 -1.521 1.00 0.00 C ATOM 1310 C TYR A 87 17.201 5.682 -1.732 1.00 0.00 C ATOM 1311 O TYR A 87 17.617 5.001 -0.796 1.00 0.00 O ATOM 1312 CB TYR A 87 16.499 8.074 -2.263 1.00 0.00 C ATOM 1313 CG TYR A 87 17.842 8.660 -1.903 1.00 0.00 C ATOM 1314 CD1 TYR A 87 18.041 9.297 -0.660 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.895 8.559 -2.826 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.308 9.802 -0.321 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.154 9.094 -2.493 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.369 9.703 -1.240 1.00 0.00 C ATOM 1319 OH TYR A 87 21.596 10.178 -0.903 1.00 0.00 O ATOM 0 H TYR A 87 16.595 6.866 0.529 1.00 0.00 H new ATOM 0 HA TYR A 87 15.240 6.300 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.478 7.882 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.728 8.817 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.218 9.397 0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.741 8.077 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.467 10.265 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.964 9.037 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 87 22.263 9.837 -1.535 1.00 0.00 H new ATOM 1329 N GLY A 88 17.637 5.534 -2.981 1.00 0.00 N ATOM 1330 CA GLY A 88 18.719 4.672 -3.452 1.00 0.00 C ATOM 1331 C GLY A 88 19.243 5.188 -4.797 1.00 0.00 C ATOM 1332 O GLY A 88 18.563 5.972 -5.466 1.00 0.00 O ATOM 0 H GLY A 88 17.211 6.053 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.526 4.652 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.361 3.648 -3.559 1.00 0.00 H new ATOM 1336 N VAL A 89 20.457 4.786 -5.192 1.00 0.00 N ATOM 1337 CA VAL A 89 21.122 5.318 -6.397 1.00 0.00 C ATOM 1338 C VAL A 89 21.869 4.240 -7.164 1.00 0.00 C ATOM 1339 O VAL A 89 22.650 3.469 -6.607 1.00 0.00 O ATOM 1340 CB VAL A 89 22.136 6.441 -6.062 1.00 0.00 C ATOM 1341 CG1 VAL A 89 22.743 7.087 -7.319 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.489 7.557 -5.247 1.00 0.00 C ATOM 0 H VAL A 89 21.007 4.087 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 89 20.315 5.719 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 89 22.922 5.950 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.446 7.866 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.266 6.328 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 21.948 7.525 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.230 8.326 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.668 7.994 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.106 7.149 -4.311 1.00 0.00 H new ATOM 1352 N ILE A 90 21.688 4.277 -8.474 1.00 0.00 N ATOM 1353 CA ILE A 90 22.449 3.518 -9.456 1.00 0.00 C ATOM 1354 C ILE A 90 23.115 4.559 -10.360 1.00 0.00 C ATOM 1355 O ILE A 90 22.459 5.472 -10.865 1.00 0.00 O ATOM 1356 CB ILE A 90 21.522 2.571 -10.240 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.846 1.563 -9.282 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.332 1.883 -11.352 1.00 0.00 C ATOM 1359 CD1 ILE A 90 20.025 0.479 -9.978 1.00 0.00 C ATOM 0 H ILE A 90 20.973 4.864 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 90 23.201 2.879 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 90 20.717 3.134 -10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.616 1.085 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.197 2.110 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.683 1.210 -11.912 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.740 2.637 -12.025 1.00 0.00 H new ATOM 0 HG23 ILE A 90 23.148 1.313 -10.908 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.588 -0.183 -9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 90 19.230 0.943 -10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.671 -0.098 -10.640 1.00 0.00 H new ATOM 1371 N ALA A 91 24.416 4.421 -10.586 1.00 0.00 N ATOM 1372 CA ALA A 91 25.173 5.247 -11.511 1.00 0.00 C ATOM 1373 C ALA A 91 25.883 4.367 -12.546 1.00 0.00 C ATOM 1374 O ALA A 91 26.271 3.233 -12.255 1.00 0.00 O ATOM 1375 CB ALA A 91 26.125 6.147 -10.717 1.00 0.00 C ATOM 0 H ALA A 91 24.985 3.715 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 91 24.509 5.901 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.696 6.770 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.549 6.783 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.808 5.529 -10.134 1.00 0.00 H new ATOM 1381 N LEU A 92 26.021 4.882 -13.766 1.00 0.00 N ATOM 1382 CA LEU A 92 26.477 4.111 -14.922 1.00 0.00 C ATOM 1383 C LEU A 92 27.395 4.951 -15.808 1.00 0.00 C ATOM 1384 O LEU A 92 27.081 6.093 -16.134 1.00 0.00 O ATOM 1385 CB LEU A 92 25.207 3.626 -15.659 1.00 0.00 C ATOM 1386 CG LEU A 92 25.439 2.614 -16.800 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.229 1.690 -16.935 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.584 3.304 -18.152 1.00 0.00 C ATOM 0 H LEU A 92 25.817 5.858 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 92 27.076 3.251 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.536 3.174 -14.929 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.693 4.496 -16.069 1.00 0.00 H new ATOM 0 HG LEU A 92 26.350 2.072 -16.547 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.402 0.979 -17.743 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.079 1.148 -16.001 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.342 2.283 -17.157 1.00 0.00 H new ATOM 0 HD21 LEU A 92 25.746 2.555 -18.927 1.00 0.00 H new ATOM 0 HD22 LEU A 92 24.676 3.865 -18.373 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.434 3.986 -18.123 1.00 0.00 H new ATOM 1400 N GLY A 93 28.519 4.379 -16.224 1.00 0.00 N ATOM 1401 CA GLY A 93 29.463 5.064 -17.096 1.00 0.00 C ATOM 1402 C GLY A 93 30.657 4.208 -17.500 1.00 0.00 C ATOM 1403 O GLY A 93 30.662 2.989 -17.353 1.00 0.00 O ATOM 0 H GLY A 93 28.800 3.433 -15.968 1.00 0.00 H new ATOM 0 HA2 GLY A 93 28.941 5.392 -17.995 1.00 0.00 H new ATOM 0 HA3 GLY A 93 29.824 5.961 -16.592 1.00 0.00 H new ATOM 1407 N ASP A 94 31.671 4.867 -18.047 1.00 0.00 N ATOM 1408 CA ASP A 94 32.883 4.246 -18.575 1.00 0.00 C ATOM 1409 C ASP A 94 34.028 4.308 -17.545 1.00 0.00 C ATOM 1410 O ASP A 94 34.483 5.390 -17.166 1.00 0.00 O ATOM 1411 CB ASP A 94 33.239 4.999 -19.863 1.00 0.00 C ATOM 1412 CG ASP A 94 34.613 4.642 -20.447 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.150 3.552 -20.130 1.00 0.00 O1- ATOM 1414 OD2 ASP A 94 35.143 5.438 -21.253 1.00 0.00 O ATOM 0 H ASP A 94 31.674 5.883 -18.139 1.00 0.00 H new ATOM 0 HA ASP A 94 32.722 3.189 -18.785 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.475 4.794 -20.613 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.210 6.070 -19.663 1.00 0.00 H new ATOM 1419 N SER A 95 34.513 3.138 -17.117 1.00 0.00 N ATOM 1420 CA SER A 95 35.637 2.957 -16.180 1.00 0.00 C ATOM 1421 C SER A 95 37.002 3.456 -16.689 1.00 0.00 C ATOM 1422 O SER A 95 37.956 3.527 -15.907 1.00 0.00 O ATOM 1423 CB SER A 95 35.751 1.471 -15.806 1.00 0.00 C ATOM 1424 OG SER A 95 35.841 0.661 -16.968 1.00 0.00 O ATOM 0 H SER A 95 34.118 2.249 -17.425 1.00 0.00 H new ATOM 0 HA SER A 95 35.400 3.579 -15.317 1.00 0.00 H new ATOM 0 HB2 SER A 95 36.630 1.316 -15.181 1.00 0.00 H new ATOM 0 HB3 SER A 95 34.884 1.173 -15.216 1.00 0.00 H new ATOM 0 HG SER A 95 36.400 -0.121 -16.779 1.00 0.00 H new ATOM 1430 N SER A 96 37.122 3.816 -17.972 1.00 0.00 N ATOM 1431 CA SER A 96 38.399 4.201 -18.610 1.00 0.00 C ATOM 1432 C SER A 96 38.976 5.557 -18.160 1.00 0.00 C ATOM 1433 O SER A 96 40.102 5.886 -18.535 1.00 0.00 O ATOM 1434 CB SER A 96 38.267 4.231 -20.142 1.00 0.00 C ATOM 1435 OG SER A 96 37.642 3.063 -20.637 1.00 0.00 O ATOM 0 H SER A 96 36.327 3.851 -18.610 1.00 0.00 H new ATOM 0 HA SER A 96 39.094 3.429 -18.281 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.690 5.106 -20.440 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.255 4.333 -20.590 1.00 0.00 H new ATOM 0 HG SER A 96 36.708 3.260 -20.858 1.00 0.00 H new ATOM 1441 N TYR A 97 38.226 6.349 -17.380 1.00 0.00 N ATOM 1442 CA TYR A 97 38.550 7.744 -17.047 1.00 0.00 C ATOM 1443 C TYR A 97 38.288 8.097 -15.570 1.00 0.00 C ATOM 1444 O TYR A 97 37.518 7.434 -14.874 1.00 0.00 O ATOM 1445 CB TYR A 97 37.743 8.667 -17.977 1.00 0.00 C ATOM 1446 CG TYR A 97 38.194 8.648 -19.426 1.00 0.00 C ATOM 1447 CD1 TYR A 97 39.380 9.313 -19.801 1.00 0.00 C ATOM 1448 CD2 TYR A 97 37.437 7.958 -20.394 1.00 0.00 C ATOM 1449 CE1 TYR A 97 39.806 9.287 -21.144 1.00 0.00 C ATOM 1450 CE2 TYR A 97 37.865 7.927 -21.736 1.00 0.00 C ATOM 1451 CZ TYR A 97 39.052 8.590 -22.115 1.00 0.00 C ATOM 1452 OH TYR A 97 39.468 8.564 -23.411 1.00 0.00 O ATOM 0 H TYR A 97 37.356 6.030 -16.953 1.00 0.00 H new ATOM 0 HA TYR A 97 39.621 7.884 -17.196 1.00 0.00 H new ATOM 0 HB2 TYR A 97 36.693 8.379 -17.932 1.00 0.00 H new ATOM 0 HB3 TYR A 97 37.810 9.688 -17.602 1.00 0.00 H new ATOM 0 HD1 TYR A 97 39.961 9.842 -19.060 1.00 0.00 H new ATOM 0 HD2 TYR A 97 36.527 7.452 -20.107 1.00 0.00 H new ATOM 0 HE1 TYR A 97 40.711 9.801 -21.432 1.00 0.00 H new ATOM 0 HE2 TYR A 97 37.284 7.395 -22.475 1.00 0.00 H new ATOM 0 HH TYR A 97 38.836 8.041 -23.947 1.00 0.00 H new ATOM 1462 N VAL A 98 38.935 9.172 -15.098 1.00 0.00 N ATOM 1463 CA VAL A 98 38.977 9.585 -13.677 1.00 0.00 C ATOM 1464 C VAL A 98 37.596 9.952 -13.113 1.00 0.00 C ATOM 1465 O VAL A 98 37.305 9.648 -11.955 1.00 0.00 O ATOM 1466 CB VAL A 98 39.973 10.754 -13.484 1.00 0.00 C ATOM 1467 CG1 VAL A 98 40.097 11.198 -12.019 1.00 0.00 C ATOM 1468 CG2 VAL A 98 41.386 10.364 -13.953 1.00 0.00 C ATOM 0 H VAL A 98 39.460 9.800 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 98 39.321 8.719 -13.111 1.00 0.00 H new ATOM 0 HB VAL A 98 39.569 11.572 -14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 98 40.809 12.020 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 98 39.124 11.528 -11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.446 10.362 -11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 98 42.063 11.205 -13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 98 41.738 9.509 -13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 98 41.359 10.102 -15.011 1.00 0.00 H new ATOM 1478 N ASN A 99 36.707 10.543 -13.922 1.00 0.00 N ATOM 1479 CA ASN A 99 35.330 10.900 -13.534 1.00 0.00 C ATOM 1480 C ASN A 99 34.379 9.688 -13.485 1.00 0.00 C ATOM 1481 O ASN A 99 33.218 9.805 -13.875 1.00 0.00 O ATOM 1482 CB ASN A 99 34.789 11.997 -14.478 1.00 0.00 C ATOM 1483 CG ASN A 99 35.530 13.314 -14.329 1.00 0.00 C ATOM 1484 OD1 ASN A 99 35.527 13.935 -13.277 1.00 0.00 O ATOM 1485 ND2 ASN A 99 36.171 13.787 -15.374 1.00 0.00 N ATOM 0 H ASN A 99 36.927 10.793 -14.886 1.00 0.00 H new ATOM 0 HA ASN A 99 35.370 11.285 -12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 99 34.868 11.655 -15.510 1.00 0.00 H new ATOM 0 HB3 ASN A 99 33.730 12.155 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.668 14.675 -15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 99 36.171 13.266 -16.251 1.00 0.00 H new ATOM 1492 N PHE A 100 34.836 8.498 -13.087 1.00 0.00 N ATOM 1493 CA PHE A 100 33.994 7.299 -13.051 1.00 0.00 C ATOM 1494 C PHE A 100 32.716 7.519 -12.221 1.00 0.00 C ATOM 1495 O PHE A 100 32.765 7.745 -11.009 1.00 0.00 O ATOM 1496 CB PHE A 100 34.786 6.070 -12.588 1.00 0.00 C ATOM 1497 CG PHE A 100 33.957 4.801 -12.664 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.349 4.439 -13.884 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.740 4.011 -11.518 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.526 3.304 -13.960 1.00 0.00 C ATOM 1501 CE2 PHE A 100 32.914 2.873 -11.592 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.297 2.529 -12.809 1.00 0.00 C ATOM 0 H PHE A 100 35.796 8.338 -12.782 1.00 0.00 H new ATOM 0 HA PHE A 100 33.668 7.099 -14.072 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.677 5.959 -13.205 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.125 6.221 -11.563 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.518 5.039 -14.766 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.208 4.278 -10.582 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.070 3.027 -14.899 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.754 2.264 -10.715 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.646 1.668 -12.859 1.00 0.00 H new ATOM 1512 N CYS A 101 31.573 7.491 -12.912 1.00 0.00 N ATOM 1513 CA CYS A 101 30.233 7.836 -12.428 1.00 0.00 C ATOM 1514 C CYS A 101 30.084 9.217 -11.754 1.00 0.00 C ATOM 1515 O CYS A 101 29.169 9.409 -10.954 1.00 0.00 O ATOM 1516 CB CYS A 101 29.720 6.670 -11.563 1.00 0.00 C ATOM 1517 SG CYS A 101 29.509 5.165 -12.560 1.00 0.00 S ATOM 0 H CYS A 101 31.558 7.207 -13.892 1.00 0.00 H new ATOM 0 HA CYS A 101 29.598 7.965 -13.304 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.422 6.478 -10.752 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.770 6.943 -11.104 1.00 0.00 H new ATOM 0 HG CYS A 101 30.674 4.647 -12.815 1.00 0.00 H new ATOM 1523 N ASN A 102 30.934 10.201 -12.067 1.00 0.00 N ATOM 1524 CA ASN A 102 30.928 11.512 -11.393 1.00 0.00 C ATOM 1525 C ASN A 102 29.600 12.275 -11.537 1.00 0.00 C ATOM 1526 O ASN A 102 29.215 13.011 -10.633 1.00 0.00 O ATOM 1527 CB ASN A 102 32.110 12.350 -11.905 1.00 0.00 C ATOM 1528 CG ASN A 102 32.389 13.552 -11.012 1.00 0.00 C ATOM 1529 OD1 ASN A 102 32.713 13.417 -9.840 1.00 0.00 O ATOM 1530 ND2 ASN A 102 32.279 14.756 -11.524 1.00 0.00 N ATOM 0 H ASN A 102 31.646 10.115 -12.793 1.00 0.00 H new ATOM 0 HA ASN A 102 31.037 11.328 -10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 102 33.001 11.724 -11.959 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.899 12.693 -12.918 1.00 0.00 H new ATOM 0 HD21 ASN A 102 32.463 15.575 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 102 32.009 14.872 -12.501 1.00 0.00 H new ATOM 1537 N GLY A 103 28.860 12.091 -12.634 1.00 0.00 N ATOM 1538 CA GLY A 103 27.548 12.726 -12.822 1.00 0.00 C ATOM 1539 C GLY A 103 26.462 12.122 -11.918 1.00 0.00 C ATOM 1540 O GLY A 103 25.688 12.854 -11.307 1.00 0.00 O ATOM 0 H GLY A 103 29.149 11.501 -13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.633 13.793 -12.618 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.246 12.624 -13.864 1.00 0.00 H new ATOM 1544 N GLY A 104 26.475 10.798 -11.722 1.00 0.00 N ATOM 1545 CA GLY A 104 25.594 10.112 -10.762 1.00 0.00 C ATOM 1546 C GLY A 104 25.970 10.396 -9.303 1.00 0.00 C ATOM 1547 O GLY A 104 25.096 10.682 -8.484 1.00 0.00 O ATOM 0 H GLY A 104 27.099 10.167 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.564 10.424 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.636 9.038 -10.941 1.00 0.00 H new ATOM 1551 N LYS A 105 27.276 10.431 -8.993 1.00 0.00 N ATOM 1552 CA LYS A 105 27.798 10.822 -7.666 1.00 0.00 C ATOM 1553 C LYS A 105 27.380 12.237 -7.254 1.00 0.00 C ATOM 1554 O LYS A 105 26.973 12.444 -6.114 1.00 0.00 O ATOM 1555 CB LYS A 105 29.327 10.677 -7.648 1.00 0.00 C ATOM 1556 CG LYS A 105 29.756 9.205 -7.581 1.00 0.00 C ATOM 1557 CD LYS A 105 31.254 9.053 -7.890 1.00 0.00 C ATOM 1558 CE LYS A 105 31.701 7.592 -7.718 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.113 7.405 -8.157 1.00 0.00 N1+ ATOM 0 H LYS A 105 28.009 10.187 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 105 27.357 10.149 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.747 11.138 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.734 11.214 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.543 8.805 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.173 8.620 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.455 9.382 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.834 9.696 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.600 7.299 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 105 31.048 6.939 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.442 6.459 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.170 7.498 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.714 8.127 -7.711 1.00 0.00 H new ATOM 1573 N GLN A 106 27.398 13.191 -8.191 1.00 0.00 N ATOM 1574 CA GLN A 106 26.850 14.539 -7.962 1.00 0.00 C ATOM 1575 C GLN A 106 25.347 14.508 -7.636 1.00 0.00 C ATOM 1576 O GLN A 106 24.909 15.244 -6.753 1.00 0.00 O ATOM 1577 CB GLN A 106 27.129 15.447 -9.171 1.00 0.00 C ATOM 1578 CG GLN A 106 28.588 15.924 -9.199 1.00 0.00 C ATOM 1579 CD GLN A 106 28.947 16.570 -10.535 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.973 17.781 -10.697 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.245 15.771 -11.537 1.00 0.00 N ATOM 0 H GLN A 106 27.789 13.056 -9.123 1.00 0.00 H new ATOM 0 HA GLN A 106 27.357 14.951 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.905 14.907 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.465 16.310 -9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.752 16.640 -8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.251 15.078 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 106 29.225 14.760 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.496 16.163 -12.444 1.00 0.00 H new ATOM 1590 N PHE A 107 24.553 13.637 -8.275 1.00 0.00 N ATOM 1591 CA PHE A 107 23.135 13.494 -7.925 1.00 0.00 C ATOM 1592 C PHE A 107 22.906 12.828 -6.548 1.00 0.00 C ATOM 1593 O PHE A 107 21.956 13.181 -5.854 1.00 0.00 O ATOM 1594 CB PHE A 107 22.360 12.808 -9.057 1.00 0.00 C ATOM 1595 CG PHE A 107 20.909 13.253 -9.074 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.991 12.687 -8.174 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.502 14.310 -9.911 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.672 13.163 -8.111 1.00 0.00 C ATOM 1599 CE2 PHE A 107 19.183 14.797 -9.839 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.269 14.222 -8.937 1.00 0.00 C ATOM 0 H PHE A 107 24.866 13.027 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 107 22.731 14.500 -7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.826 13.041 -10.014 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.410 11.726 -8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.302 11.881 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.202 14.747 -10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.968 12.714 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.873 15.612 -10.476 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.257 14.596 -8.881 1.00 0.00 H new ATOM 1610 N ASP A 108 23.769 11.917 -6.080 1.00 0.00 N ATOM 1611 CA ASP A 108 23.698 11.450 -4.678 1.00 0.00 C ATOM 1612 C ASP A 108 24.073 12.585 -3.702 1.00 0.00 C ATOM 1613 O ASP A 108 23.370 12.828 -2.716 1.00 0.00 O ATOM 1614 CB ASP A 108 24.597 10.227 -4.466 1.00 0.00 C ATOM 1615 CG ASP A 108 24.495 9.713 -3.022 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.402 9.269 -2.600 1.00 0.00 O ATOM 1617 OD2 ASP A 108 25.502 9.731 -2.283 1.00 0.00 O1- ATOM 0 H ASP A 108 24.513 11.492 -6.634 1.00 0.00 H new ATOM 0 HA ASP A 108 22.670 11.153 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.310 9.436 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.631 10.488 -4.691 1.00 0.00 H new ATOM 1622 N ALA A 109 25.135 13.339 -4.014 1.00 0.00 N ATOM 1623 CA ALA A 109 25.537 14.528 -3.260 1.00 0.00 C ATOM 1624 C ALA A 109 24.439 15.613 -3.176 1.00 0.00 C ATOM 1625 O ALA A 109 24.284 16.222 -2.118 1.00 0.00 O ATOM 1626 CB ALA A 109 26.839 15.082 -3.853 1.00 0.00 C ATOM 0 H ALA A 109 25.744 13.136 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 109 25.703 14.222 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.144 15.968 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.620 14.325 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.679 15.348 -4.898 1.00 0.00 H new ATOM 1632 N LEU A 110 23.621 15.806 -4.224 1.00 0.00 N ATOM 1633 CA LEU A 110 22.439 16.695 -4.241 1.00 0.00 C ATOM 1634 C LEU A 110 21.491 16.454 -3.055 1.00 0.00 C ATOM 1635 O LEU A 110 20.809 17.374 -2.611 1.00 0.00 O ATOM 1636 CB LEU A 110 21.668 16.459 -5.556 1.00 0.00 C ATOM 1637 CG LEU A 110 20.442 17.353 -5.842 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.860 18.767 -6.216 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.626 16.712 -6.968 1.00 0.00 C ATOM 0 H LEU A 110 23.766 15.332 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 110 22.797 17.722 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.370 16.578 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.336 15.421 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 110 19.835 17.430 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.973 19.369 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.425 19.208 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.482 18.738 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.755 17.331 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.243 16.629 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.298 15.719 -6.660 1.00 0.00 H new ATOM 1651 N LEU A 111 21.447 15.218 -2.551 1.00 0.00 N ATOM 1652 CA LEU A 111 20.505 14.775 -1.526 1.00 0.00 C ATOM 1653 C LEU A 111 21.180 14.676 -0.152 1.00 0.00 C ATOM 1654 O LEU A 111 20.602 15.120 0.844 1.00 0.00 O ATOM 1655 CB LEU A 111 19.886 13.437 -1.986 1.00 0.00 C ATOM 1656 CG LEU A 111 19.198 13.504 -3.368 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.702 12.120 -3.772 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.014 14.476 -3.382 1.00 0.00 C ATOM 0 H LEU A 111 22.083 14.480 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 111 19.707 15.507 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.668 12.679 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.157 13.112 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 111 19.944 13.865 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.219 12.177 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.546 11.432 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.986 11.760 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.564 14.487 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.272 14.156 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.363 15.478 -3.130 1.00 0.00 H new ATOM 1670 N GLN A 112 22.428 14.205 -0.078 1.00 0.00 N ATOM 1671 CA GLN A 112 23.205 14.235 1.175 1.00 0.00 C ATOM 1672 C GLN A 112 23.569 15.657 1.632 1.00 0.00 C ATOM 1673 O GLN A 112 23.517 15.939 2.829 1.00 0.00 O ATOM 1674 CB GLN A 112 24.455 13.345 1.062 1.00 0.00 C ATOM 1675 CG GLN A 112 24.078 11.858 1.011 1.00 0.00 C ATOM 1676 CD GLN A 112 23.258 11.427 2.219 1.00 0.00 C ATOM 1677 OE1 GLN A 112 23.672 11.527 3.366 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.037 10.999 2.000 1.00 0.00 N ATOM 0 H GLN A 112 22.927 13.797 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 112 22.557 13.830 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 112 25.014 13.612 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.112 13.527 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 112 23.511 11.660 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 112 24.986 11.257 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.690 10.915 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 112 21.435 10.751 2.785 1.00 0.00 H new ATOM 1687 N GLU A 113 23.823 16.589 0.706 1.00 0.00 N ATOM 1688 CA GLU A 113 23.964 18.026 1.011 1.00 0.00 C ATOM 1689 C GLU A 113 22.657 18.643 1.562 1.00 0.00 C ATOM 1690 O GLU A 113 22.675 19.721 2.159 1.00 0.00 O ATOM 1691 CB GLU A 113 24.458 18.748 -0.257 1.00 0.00 C ATOM 1692 CG GLU A 113 24.882 20.205 -0.022 1.00 0.00 C ATOM 1693 CD GLU A 113 25.605 20.777 -1.256 1.00 0.00 C ATOM 1694 OE1 GLU A 113 24.929 21.284 -2.185 1.00 0.00 O1- ATOM 1695 OE2 GLU A 113 26.860 20.741 -1.300 1.00 0.00 O ATOM 0 H GLU A 113 23.938 16.371 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 113 24.697 18.152 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 113 25.303 18.197 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.666 18.727 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 113 24.004 20.811 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 113 25.538 20.261 0.846 1.00 0.00 H new ATOM 1702 N GLN A 114 21.527 17.930 1.425 1.00 0.00 N ATOM 1703 CA GLN A 114 20.203 18.317 1.926 1.00 0.00 C ATOM 1704 C GLN A 114 19.712 17.417 3.077 1.00 0.00 C ATOM 1705 O GLN A 114 18.556 17.534 3.481 1.00 0.00 O ATOM 1706 CB GLN A 114 19.204 18.350 0.755 1.00 0.00 C ATOM 1707 CG GLN A 114 19.588 19.404 -0.293 1.00 0.00 C ATOM 1708 CD GLN A 114 18.487 19.684 -1.314 1.00 0.00 C ATOM 1709 OE1 GLN A 114 17.395 19.127 -1.297 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.735 20.596 -2.228 1.00 0.00 N ATOM 0 H GLN A 114 21.513 17.032 0.942 1.00 0.00 H new ATOM 0 HA GLN A 114 20.282 19.316 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 114 19.163 17.368 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 114 18.205 18.563 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.844 20.333 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.483 19.071 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.641 21.064 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 114 18.021 20.836 -2.916 1.00 0.00 H new ATOM 1719 N SER A 115 20.573 16.550 3.633 1.00 0.00 N ATOM 1720 CA SER A 115 20.305 15.715 4.820 1.00 0.00 C ATOM 1721 C SER A 115 19.330 14.549 4.574 1.00 0.00 C ATOM 1722 O SER A 115 18.782 13.993 5.530 1.00 0.00 O ATOM 1723 CB SER A 115 19.897 16.583 6.028 1.00 0.00 C ATOM 1724 OG SER A 115 20.000 15.846 7.233 1.00 0.00 O ATOM 0 H SER A 115 21.510 16.404 3.256 1.00 0.00 H new ATOM 0 HA SER A 115 21.249 15.226 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 115 20.535 17.465 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 115 18.874 16.937 5.899 1.00 0.00 H new ATOM 0 HG SER A 115 19.640 14.945 7.097 1.00 0.00 H new ATOM 1730 N ALA A 116 19.124 14.152 3.313 1.00 0.00 N ATOM 1731 CA ALA A 116 18.399 12.928 2.958 1.00 0.00 C ATOM 1732 C ALA A 116 19.045 11.672 3.586 1.00 0.00 C ATOM 1733 O ALA A 116 20.203 11.703 4.011 1.00 0.00 O ATOM 1734 CB ALA A 116 18.369 12.831 1.432 1.00 0.00 C ATOM 0 H ALA A 116 19.459 14.676 2.504 1.00 0.00 H new ATOM 0 HA ALA A 116 17.385 12.975 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.835 11.928 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.862 13.704 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 116 19.389 12.791 1.050 1.00 0.00 H new ATOM 1740 N GLN A 117 18.340 10.534 3.602 1.00 0.00 N ATOM 1741 CA GLN A 117 18.753 9.337 4.330 1.00 0.00 C ATOM 1742 C GLN A 117 18.561 8.091 3.459 1.00 0.00 C ATOM 1743 O GLN A 117 17.492 7.482 3.427 1.00 0.00 O ATOM 1744 CB GLN A 117 17.995 9.238 5.669 1.00 0.00 C ATOM 1745 CG GLN A 117 18.200 10.450 6.595 1.00 0.00 C ATOM 1746 CD GLN A 117 17.508 10.263 7.945 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.777 9.331 8.694 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.590 11.132 8.317 1.00 0.00 N ATOM 0 H GLN A 117 17.458 10.422 3.103 1.00 0.00 H new ATOM 0 HA GLN A 117 19.815 9.405 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.930 9.126 5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.316 8.337 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 117 19.267 10.609 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.813 11.346 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 117 16.352 11.915 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 117 16.118 11.022 9.214 1.00 0.00 H new ATOM 1757 N ARG A 118 19.589 7.754 2.672 1.00 0.00 N ATOM 1758 CA ARG A 118 19.542 6.641 1.714 1.00 0.00 C ATOM 1759 C ARG A 118 19.328 5.297 2.428 1.00 0.00 C ATOM 1760 O ARG A 118 19.902 5.043 3.487 1.00 0.00 O ATOM 1761 CB ARG A 118 20.850 6.640 0.883 1.00 0.00 C ATOM 1762 CG ARG A 118 20.689 6.026 -0.518 1.00 0.00 C ATOM 1763 CD ARG A 118 21.986 5.840 -1.335 1.00 0.00 C ATOM 1764 NE ARG A 118 23.003 6.895 -1.129 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.032 6.868 -0.298 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.249 5.888 0.539 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 24.884 7.847 -0.304 1.00 0.00 N ATOM 0 H ARG A 118 20.482 8.247 2.681 1.00 0.00 H new ATOM 0 HA ARG A 118 18.692 6.777 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.208 7.665 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.616 6.087 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.208 5.053 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.010 6.656 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.425 4.876 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.730 5.803 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 118 22.899 7.739 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.609 5.095 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.059 5.917 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.757 8.629 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 118 25.680 7.834 0.333 1.00 0.00 H new ATOM 1781 N VAL A 119 18.549 4.411 1.803 1.00 0.00 N ATOM 1782 CA VAL A 119 18.200 3.063 2.308 1.00 0.00 C ATOM 1783 C VAL A 119 19.098 1.987 1.661 1.00 0.00 C ATOM 1784 O VAL A 119 18.665 0.880 1.347 1.00 0.00 O ATOM 1785 CB VAL A 119 16.687 2.764 2.134 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.215 1.746 3.181 1.00 0.00 C ATOM 1787 CG2 VAL A 119 15.792 4.002 2.306 1.00 0.00 C ATOM 0 H VAL A 119 18.124 4.611 0.898 1.00 0.00 H new ATOM 0 HA VAL A 119 18.394 3.038 3.380 1.00 0.00 H new ATOM 0 HB VAL A 119 16.591 2.388 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.152 1.549 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 119 16.774 0.818 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.383 2.147 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.748 3.718 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 119 15.929 4.414 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.063 4.753 1.564 1.00 0.00 H new ATOM 1797 N GLY A 120 20.361 2.330 1.392 1.00 0.00 N ATOM 1798 CA GLY A 120 21.326 1.472 0.693 1.00 0.00 C ATOM 1799 C GLY A 120 22.616 2.195 0.302 1.00 0.00 C ATOM 1800 O GLY A 120 22.865 3.331 0.719 1.00 0.00 O ATOM 0 H GLY A 120 20.752 3.233 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.574 0.623 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.858 1.070 -0.205 1.00 0.00 H new ATOM 1804 N GLU A 121 23.419 1.552 -0.545 1.00 0.00 N ATOM 1805 CA GLU A 121 24.704 2.058 -1.057 1.00 0.00 C ATOM 1806 C GLU A 121 24.678 2.168 -2.592 1.00 0.00 C ATOM 1807 O GLU A 121 24.069 1.344 -3.282 1.00 0.00 O ATOM 1808 CB GLU A 121 25.848 1.142 -0.594 1.00 0.00 C ATOM 1809 CG GLU A 121 26.038 1.156 0.929 1.00 0.00 C ATOM 1810 CD GLU A 121 27.245 0.297 1.348 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.379 0.829 1.426 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 27.068 -0.920 1.609 1.00 0.00 O ATOM 0 H GLU A 121 23.189 0.628 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 121 24.871 3.058 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.647 0.122 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.775 1.454 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 121 26.182 2.181 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.136 0.782 1.414 1.00 0.00 H new ATOM 1819 N MET A 122 25.325 3.211 -3.125 1.00 0.00 N ATOM 1820 CA MET A 122 25.276 3.575 -4.544 1.00 0.00 C ATOM 1821 C MET A 122 25.970 2.530 -5.431 1.00 0.00 C ATOM 1822 O MET A 122 27.145 2.211 -5.230 1.00 0.00 O ATOM 1823 CB MET A 122 25.886 4.974 -4.720 1.00 0.00 C ATOM 1824 CG MET A 122 25.950 5.438 -6.182 1.00 0.00 C ATOM 1825 SD MET A 122 26.184 7.227 -6.415 1.00 0.00 S ATOM 1826 CE MET A 122 27.450 7.604 -5.167 1.00 0.00 C ATOM 0 H MET A 122 25.908 3.837 -2.570 1.00 0.00 H new ATOM 0 HA MET A 122 24.236 3.596 -4.870 1.00 0.00 H new ATOM 0 HB2 MET A 122 25.300 5.691 -4.145 1.00 0.00 H new ATOM 0 HB3 MET A 122 26.893 4.977 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.766 4.913 -6.678 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.029 5.140 -6.682 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.727 8.656 -5.236 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.054 7.397 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.330 6.985 -5.343 1.00 0.00 H new ATOM 1836 N LEU A 123 25.244 2.009 -6.425 1.00 0.00 N ATOM 1837 CA LEU A 123 25.743 1.010 -7.374 1.00 0.00 C ATOM 1838 C LEU A 123 26.502 1.705 -8.518 1.00 0.00 C ATOM 1839 O LEU A 123 25.997 2.686 -9.060 1.00 0.00 O ATOM 1840 CB LEU A 123 24.513 0.202 -7.838 1.00 0.00 C ATOM 1841 CG LEU A 123 24.723 -1.167 -8.508 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.265 -1.036 -9.920 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.635 -2.099 -7.712 1.00 0.00 C ATOM 0 H LEU A 123 24.274 2.275 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 123 26.466 0.326 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.875 0.047 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.954 0.826 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 123 23.729 -1.612 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.397 -2.028 -10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.563 -0.466 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.225 -0.520 -9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.739 -3.046 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.616 -1.637 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 123 25.201 -2.280 -6.728 1.00 0.00 H new ATOM 1855 N LEU A 124 27.691 1.213 -8.892 1.00 0.00 N ATOM 1856 CA LEU A 124 28.592 1.855 -9.870 1.00 0.00 C ATOM 1857 C LEU A 124 28.908 0.915 -11.053 1.00 0.00 C ATOM 1858 O LEU A 124 29.759 0.026 -10.957 1.00 0.00 O ATOM 1859 CB LEU A 124 29.886 2.324 -9.167 1.00 0.00 C ATOM 1860 CG LEU A 124 29.719 3.288 -7.975 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.095 3.660 -7.422 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.005 4.581 -8.368 1.00 0.00 C ATOM 0 H LEU A 124 28.064 0.341 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 124 28.084 2.726 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.422 1.441 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.520 2.809 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 124 29.115 2.770 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 124 30.976 4.341 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.610 2.758 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.681 4.146 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 124 28.912 5.226 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.580 5.095 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.012 4.346 -8.753 1.00 0.00 H new ATOM 1874 N ILE A 125 28.186 1.101 -12.160 1.00 0.00 N ATOM 1875 CA ILE A 125 28.261 0.279 -13.383 1.00 0.00 C ATOM 1876 C ILE A 125 29.317 0.817 -14.370 1.00 0.00 C ATOM 1877 O ILE A 125 29.354 2.005 -14.686 1.00 0.00 O ATOM 1878 CB ILE A 125 26.872 0.190 -14.060 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.812 -0.340 -13.067 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.923 -0.699 -15.315 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.369 -0.431 -13.577 1.00 0.00 C ATOM 0 H ILE A 125 27.505 1.856 -12.238 1.00 0.00 H new ATOM 0 HA ILE A 125 28.572 -0.723 -13.089 1.00 0.00 H new ATOM 0 HB ILE A 125 26.586 1.196 -14.368 1.00 0.00 H new ATOM 0 HG12 ILE A 125 26.120 -1.333 -12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.821 0.302 -12.186 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.933 -0.743 -15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.632 -0.280 -16.029 1.00 0.00 H new ATOM 0 HG23 ILE A 125 27.240 -1.704 -15.036 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.727 -0.817 -12.785 1.00 0.00 H new ATOM 0 HD12 ILE A 125 24.025 0.560 -13.873 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.328 -1.101 -14.436 1.00 0.00 H new ATOM 1893 N ASP A 126 30.128 -0.097 -14.904 1.00 0.00 N ATOM 1894 CA ASP A 126 31.322 0.084 -15.736 1.00 0.00 C ATOM 1895 C ASP A 126 31.095 -0.444 -17.165 1.00 0.00 C ATOM 1896 O ASP A 126 31.683 -1.433 -17.602 1.00 0.00 O ATOM 1897 CB ASP A 126 32.529 -0.570 -15.024 1.00 0.00 C ATOM 1898 CG ASP A 126 32.350 -2.033 -14.534 1.00 0.00 C ATOM 1899 OD1 ASP A 126 31.207 -2.533 -14.356 1.00 0.00 O ATOM 1900 OD2 ASP A 126 33.387 -2.672 -14.228 1.00 0.00 O1- ATOM 0 H ASP A 126 29.946 -1.089 -14.748 1.00 0.00 H new ATOM 0 HA ASP A 126 31.538 1.146 -15.855 1.00 0.00 H new ATOM 0 HB2 ASP A 126 33.380 -0.542 -15.705 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.789 0.046 -14.163 1.00 0.00 H new ATOM 1905 N ALA A 127 30.204 0.229 -17.897 1.00 0.00 N ATOM 1906 CA ALA A 127 29.653 -0.181 -19.191 1.00 0.00 C ATOM 1907 C ALA A 127 30.672 -0.697 -20.232 1.00 0.00 C ATOM 1908 O ALA A 127 30.396 -1.680 -20.927 1.00 0.00 O ATOM 1909 CB ALA A 127 28.827 0.988 -19.739 1.00 0.00 C ATOM 0 H ALA A 127 29.827 1.124 -17.586 1.00 0.00 H new ATOM 0 HA ALA A 127 29.036 -1.061 -19.007 1.00 0.00 H new ATOM 0 HB1 ALA A 127 28.403 0.713 -20.704 1.00 0.00 H new ATOM 0 HB2 ALA A 127 28.022 1.223 -19.042 1.00 0.00 H new ATOM 0 HB3 ALA A 127 29.468 1.861 -19.860 1.00 0.00 H new ATOM 1915 N SER A 128 31.857 -0.080 -20.312 1.00 0.00 N ATOM 1916 CA SER A 128 32.941 -0.443 -21.248 1.00 0.00 C ATOM 1917 C SER A 128 33.513 -1.860 -21.059 1.00 0.00 C ATOM 1918 O SER A 128 34.176 -2.384 -21.955 1.00 0.00 O ATOM 1919 CB SER A 128 34.093 0.556 -21.116 1.00 0.00 C ATOM 1920 OG SER A 128 33.621 1.863 -21.358 1.00 0.00 O ATOM 0 H SER A 128 32.100 0.709 -19.713 1.00 0.00 H new ATOM 0 HA SER A 128 32.483 -0.417 -22.237 1.00 0.00 H new ATOM 0 HB2 SER A 128 34.527 0.495 -20.118 1.00 0.00 H new ATOM 0 HB3 SER A 128 34.884 0.308 -21.823 1.00 0.00 H new ATOM 0 HG SER A 128 33.915 2.456 -20.636 1.00 0.00 H new ATOM 1926 N GLU A 129 33.241 -2.487 -19.914 1.00 0.00 N ATOM 1927 CA GLU A 129 33.648 -3.854 -19.558 1.00 0.00 C ATOM 1928 C GLU A 129 32.483 -4.661 -18.932 1.00 0.00 C ATOM 1929 O GLU A 129 32.686 -5.744 -18.377 1.00 0.00 O ATOM 1930 CB GLU A 129 34.905 -3.797 -18.667 1.00 0.00 C ATOM 1931 CG GLU A 129 34.687 -3.103 -17.314 1.00 0.00 C ATOM 1932 CD GLU A 129 36.008 -2.964 -16.534 1.00 0.00 C ATOM 1933 OE1 GLU A 129 36.598 -3.997 -16.129 1.00 0.00 O ATOM 1934 OE2 GLU A 129 36.479 -1.814 -16.338 1.00 0.00 O1- ATOM 0 H GLU A 129 32.705 -2.037 -19.172 1.00 0.00 H new ATOM 0 HA GLU A 129 33.910 -4.400 -20.464 1.00 0.00 H new ATOM 0 HB2 GLU A 129 35.257 -4.813 -18.489 1.00 0.00 H new ATOM 0 HB3 GLU A 129 35.696 -3.276 -19.207 1.00 0.00 H new ATOM 0 HG2 GLU A 129 34.252 -2.116 -17.475 1.00 0.00 H new ATOM 0 HG3 GLU A 129 33.971 -3.674 -16.722 1.00 0.00 H new ATOM 1941 N ASN A 130 31.253 -4.138 -19.034 1.00 0.00 N ATOM 1942 CA ASN A 130 30.036 -4.658 -18.406 1.00 0.00 C ATOM 1943 C ASN A 130 28.810 -4.451 -19.332 1.00 0.00 C ATOM 1944 O ASN A 130 27.948 -3.615 -19.043 1.00 0.00 O ATOM 1945 CB ASN A 130 29.903 -3.982 -17.028 1.00 0.00 C ATOM 1946 CG ASN A 130 29.008 -4.723 -16.052 1.00 0.00 C ATOM 1947 OD1 ASN A 130 28.178 -5.554 -16.404 1.00 0.00 O ATOM 1948 ND2 ASN A 130 29.200 -4.462 -14.782 1.00 0.00 N ATOM 0 H ASN A 130 31.074 -3.299 -19.585 1.00 0.00 H new ATOM 0 HA ASN A 130 30.090 -5.736 -18.253 1.00 0.00 H new ATOM 0 HB2 ASN A 130 30.895 -3.882 -16.588 1.00 0.00 H new ATOM 0 HB3 ASN A 130 29.513 -2.974 -17.167 1.00 0.00 H new ATOM 0 HD21 ASN A 130 28.656 -4.953 -14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 130 29.894 -3.768 -14.503 1.00 0.00 H new ATOM 1955 N PRO A 131 28.739 -5.164 -20.479 1.00 0.00 N ATOM 1956 CA PRO A 131 27.739 -4.956 -21.537 1.00 0.00 C ATOM 1957 C PRO A 131 26.332 -5.504 -21.212 1.00 0.00 C ATOM 1958 O PRO A 131 25.446 -5.499 -22.068 1.00 0.00 O ATOM 1959 CB PRO A 131 28.344 -5.639 -22.771 1.00 0.00 C ATOM 1960 CG PRO A 131 29.114 -6.811 -22.170 1.00 0.00 C ATOM 1961 CD PRO A 131 29.679 -6.202 -20.888 1.00 0.00 C ATOM 0 HA PRO A 131 27.554 -3.891 -21.679 1.00 0.00 H new ATOM 0 HB2 PRO A 131 27.574 -5.975 -23.465 1.00 0.00 H new ATOM 0 HB3 PRO A 131 28.999 -4.966 -23.324 1.00 0.00 H new ATOM 0 HG2 PRO A 131 28.465 -7.662 -21.965 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.902 -7.164 -22.835 1.00 0.00 H new ATOM 0 HD2 PRO A 131 29.784 -6.959 -20.111 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.670 -5.783 -21.061 1.00 0.00 H new ATOM 1969 N GLU A 132 26.113 -5.975 -19.980 1.00 0.00 N ATOM 1970 CA GLU A 132 24.858 -6.567 -19.483 1.00 0.00 C ATOM 1971 C GLU A 132 24.452 -5.946 -18.123 1.00 0.00 C ATOM 1972 O GLU A 132 24.314 -6.663 -17.125 1.00 0.00 O ATOM 1973 CB GLU A 132 24.964 -8.109 -19.490 1.00 0.00 C ATOM 1974 CG GLU A 132 26.223 -8.692 -18.814 1.00 0.00 C ATOM 1975 CD GLU A 132 26.219 -10.237 -18.774 1.00 0.00 C ATOM 1976 OE1 GLU A 132 25.654 -10.891 -19.685 1.00 0.00 O1- ATOM 1977 OE2 GLU A 132 26.828 -10.820 -17.842 1.00 0.00 O ATOM 0 H GLU A 132 26.839 -5.955 -19.264 1.00 0.00 H new ATOM 0 HA GLU A 132 24.034 -6.323 -20.154 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.084 -8.518 -18.994 1.00 0.00 H new ATOM 0 HB3 GLU A 132 24.936 -8.453 -20.524 1.00 0.00 H new ATOM 0 HG2 GLU A 132 27.109 -8.349 -19.349 1.00 0.00 H new ATOM 0 HG3 GLU A 132 26.295 -8.307 -17.797 1.00 0.00 H new ATOM 1984 N PRO A 133 24.249 -4.607 -18.060 1.00 0.00 N ATOM 1985 CA PRO A 133 24.072 -3.847 -16.814 1.00 0.00 C ATOM 1986 C PRO A 133 22.848 -4.266 -15.989 1.00 0.00 C ATOM 1987 O PRO A 133 22.821 -4.073 -14.774 1.00 0.00 O ATOM 1988 CB PRO A 133 24.002 -2.378 -17.248 1.00 0.00 C ATOM 1989 CG PRO A 133 23.454 -2.442 -18.670 1.00 0.00 C ATOM 1990 CD PRO A 133 24.127 -3.703 -19.203 1.00 0.00 C ATOM 0 HA PRO A 133 24.902 -4.040 -16.134 1.00 0.00 H new ATOM 0 HB2 PRO A 133 23.350 -1.799 -16.594 1.00 0.00 H new ATOM 0 HB3 PRO A 133 24.984 -1.905 -17.219 1.00 0.00 H new ATOM 0 HG2 PRO A 133 22.367 -2.520 -18.687 1.00 0.00 H new ATOM 0 HG3 PRO A 133 23.720 -1.559 -19.251 1.00 0.00 H new ATOM 0 HD2 PRO A 133 23.534 -4.156 -19.997 1.00 0.00 H new ATOM 0 HD3 PRO A 133 25.105 -3.474 -19.626 1.00 0.00 H new ATOM 1998 N GLU A 134 21.855 -4.894 -16.624 1.00 0.00 N ATOM 1999 CA GLU A 134 20.720 -5.555 -15.967 1.00 0.00 C ATOM 2000 C GLU A 134 21.202 -6.516 -14.865 1.00 0.00 C ATOM 2001 O GLU A 134 20.705 -6.490 -13.741 1.00 0.00 O ATOM 2002 CB GLU A 134 19.952 -6.308 -17.068 1.00 0.00 C ATOM 2003 CG GLU A 134 18.673 -6.999 -16.592 1.00 0.00 C ATOM 2004 CD GLU A 134 18.043 -7.829 -17.729 1.00 0.00 C ATOM 2005 OE1 GLU A 134 17.531 -7.243 -18.714 1.00 0.00 O1- ATOM 2006 OE2 GLU A 134 18.070 -9.080 -17.653 1.00 0.00 O ATOM 0 H GLU A 134 21.816 -4.960 -17.641 1.00 0.00 H new ATOM 0 HA GLU A 134 20.075 -4.826 -15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.696 -5.605 -17.860 1.00 0.00 H new ATOM 0 HB3 GLU A 134 20.612 -7.056 -17.507 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.898 -7.647 -15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 134 17.960 -6.253 -16.242 1.00 0.00 H new ATOM 2013 N THR A 135 22.239 -7.312 -15.146 1.00 0.00 N ATOM 2014 CA THR A 135 22.816 -8.285 -14.194 1.00 0.00 C ATOM 2015 C THR A 135 23.534 -7.628 -13.006 1.00 0.00 C ATOM 2016 O THR A 135 23.726 -8.266 -11.969 1.00 0.00 O ATOM 2017 CB THR A 135 23.789 -9.250 -14.889 1.00 0.00 C ATOM 2018 OG1 THR A 135 24.957 -8.599 -15.341 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.139 -9.950 -16.082 1.00 0.00 C ATOM 0 H THR A 135 22.712 -7.304 -16.050 1.00 0.00 H new ATOM 0 HA THR A 135 21.960 -8.837 -13.805 1.00 0.00 H new ATOM 0 HB THR A 135 24.059 -9.987 -14.132 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.709 -7.804 -15.858 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.860 -10.623 -16.546 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.275 -10.521 -15.742 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.818 -9.205 -16.810 1.00 0.00 H new ATOM 2027 N GLU A 136 23.892 -6.348 -13.130 1.00 0.00 N ATOM 2028 CA GLU A 136 24.570 -5.553 -12.098 1.00 0.00 C ATOM 2029 C GLU A 136 23.584 -4.733 -11.246 1.00 0.00 C ATOM 2030 O GLU A 136 23.951 -4.227 -10.189 1.00 0.00 O ATOM 2031 CB GLU A 136 25.591 -4.623 -12.790 1.00 0.00 C ATOM 2032 CG GLU A 136 26.805 -4.272 -11.923 1.00 0.00 C ATOM 2033 CD GLU A 136 27.670 -5.514 -11.634 1.00 0.00 C ATOM 2034 OE1 GLU A 136 28.390 -5.978 -12.552 1.00 0.00 O ATOM 2035 OE2 GLU A 136 27.634 -6.035 -10.492 1.00 0.00 O1- ATOM 0 H GLU A 136 23.712 -5.816 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 136 25.076 -6.233 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.938 -5.100 -13.706 1.00 0.00 H new ATOM 0 HB3 GLU A 136 25.087 -3.701 -13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.408 -3.517 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.468 -3.835 -10.983 1.00 0.00 H new ATOM 2042 N SER A 137 22.316 -4.635 -11.671 1.00 0.00 N ATOM 2043 CA SER A 137 21.322 -3.719 -11.098 1.00 0.00 C ATOM 2044 C SER A 137 20.002 -4.373 -10.693 1.00 0.00 C ATOM 2045 O SER A 137 19.410 -3.957 -9.700 1.00 0.00 O ATOM 2046 CB SER A 137 21.048 -2.590 -12.093 1.00 0.00 C ATOM 2047 OG SER A 137 20.735 -3.102 -13.375 1.00 0.00 O ATOM 0 H SER A 137 21.947 -5.200 -12.436 1.00 0.00 H new ATOM 0 HA SER A 137 21.759 -3.344 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.223 -1.976 -11.732 1.00 0.00 H new ATOM 0 HB3 SER A 137 21.922 -1.942 -12.161 1.00 0.00 H new ATOM 0 HG SER A 137 21.564 -3.296 -13.861 1.00 0.00 H new ATOM 2053 N ASN A 138 19.546 -5.422 -11.371 1.00 0.00 N ATOM 2054 CA ASN A 138 18.311 -6.115 -11.002 1.00 0.00 C ATOM 2055 C ASN A 138 18.309 -6.663 -9.557 1.00 0.00 C ATOM 2056 O ASN A 138 17.414 -6.280 -8.800 1.00 0.00 O ATOM 2057 CB ASN A 138 18.008 -7.205 -12.034 1.00 0.00 C ATOM 2058 CG ASN A 138 17.385 -6.649 -13.312 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.572 -5.502 -13.696 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.563 -7.426 -13.982 1.00 0.00 N ATOM 0 H ASN A 138 20.016 -5.815 -12.186 1.00 0.00 H new ATOM 0 HA ASN A 138 17.509 -5.377 -11.013 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.930 -7.730 -12.283 1.00 0.00 H new ATOM 0 HB3 ASN A 138 17.332 -7.938 -11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 138 16.089 -7.071 -14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.399 -8.384 -13.671 1.00 0.00 H new ATOM 2067 N PRO A 139 19.305 -7.460 -9.103 1.00 0.00 N ATOM 2068 CA PRO A 139 19.326 -7.946 -7.720 1.00 0.00 C ATOM 2069 C PRO A 139 19.507 -6.814 -6.697 1.00 0.00 C ATOM 2070 O PRO A 139 18.977 -6.902 -5.590 1.00 0.00 O ATOM 2071 CB PRO A 139 20.464 -8.968 -7.654 1.00 0.00 C ATOM 2072 CG PRO A 139 21.399 -8.513 -8.771 1.00 0.00 C ATOM 2073 CD PRO A 139 20.438 -8.006 -9.841 1.00 0.00 C ATOM 0 HA PRO A 139 18.370 -8.398 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 139 20.960 -8.958 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.104 -9.984 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.078 -7.729 -8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.016 -9.333 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 139 20.907 -7.244 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.125 -8.812 -10.505 1.00 0.00 H new ATOM 2081 N TRP A 140 20.192 -5.724 -7.071 1.00 0.00 N ATOM 2082 CA TRP A 140 20.290 -4.505 -6.259 1.00 0.00 C ATOM 2083 C TRP A 140 18.910 -3.864 -6.025 1.00 0.00 C ATOM 2084 O TRP A 140 18.554 -3.595 -4.876 1.00 0.00 O ATOM 2085 CB TRP A 140 21.272 -3.529 -6.924 1.00 0.00 C ATOM 2086 CG TRP A 140 21.536 -2.263 -6.162 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.606 -2.017 -5.369 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.706 -1.060 -6.075 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.494 -0.753 -4.814 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.322 -0.137 -5.182 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.481 -0.663 -6.645 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.746 1.096 -4.850 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.879 0.562 -6.313 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.508 1.439 -5.417 1.00 0.00 C ATOM 0 H TRP A 140 20.698 -5.664 -7.955 1.00 0.00 H new ATOM 0 HA TRP A 140 20.673 -4.767 -5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.220 -4.044 -7.080 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.886 -3.267 -7.909 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.423 -2.702 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.196 -0.331 -4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.993 -1.316 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.245 1.771 -4.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.928 0.830 -6.749 1.00 0.00 H new ATOM 0 HH2 TRP A 140 19.040 2.379 -5.163 1.00 0.00 H new ATOM 2105 N VAL A 141 18.099 -3.675 -7.080 1.00 0.00 N ATOM 2106 CA VAL A 141 16.742 -3.112 -6.935 1.00 0.00 C ATOM 2107 C VAL A 141 15.829 -4.095 -6.201 1.00 0.00 C ATOM 2108 O VAL A 141 15.064 -3.675 -5.332 1.00 0.00 O ATOM 2109 CB VAL A 141 16.086 -2.713 -8.275 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.719 -2.054 -8.035 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.909 -1.695 -9.074 1.00 0.00 C ATOM 0 H VAL A 141 18.357 -3.902 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 141 16.865 -2.197 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 141 16.006 -3.644 -8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.274 -1.781 -8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.064 -2.754 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.848 -1.159 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.392 -1.458 -10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 141 17.033 -0.786 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.888 -2.117 -9.301 1.00 0.00 H new ATOM 2121 N GLU A 142 15.918 -5.399 -6.496 1.00 0.00 N ATOM 2122 CA GLU A 142 15.124 -6.414 -5.793 1.00 0.00 C ATOM 2123 C GLU A 142 15.403 -6.391 -4.281 1.00 0.00 C ATOM 2124 O GLU A 142 14.459 -6.394 -3.490 1.00 0.00 O ATOM 2125 CB GLU A 142 15.381 -7.817 -6.369 1.00 0.00 C ATOM 2126 CG GLU A 142 14.711 -8.047 -7.731 1.00 0.00 C ATOM 2127 CD GLU A 142 15.079 -9.429 -8.299 1.00 0.00 C ATOM 2128 OE1 GLU A 142 14.542 -10.449 -7.804 1.00 0.00 O ATOM 2129 OE2 GLU A 142 15.894 -9.509 -9.251 1.00 0.00 O1- ATOM 0 H GLU A 142 16.533 -5.775 -7.218 1.00 0.00 H new ATOM 0 HA GLU A 142 14.073 -6.171 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.456 -7.969 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.018 -8.564 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.629 -7.969 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.020 -7.269 -8.429 1.00 0.00 H new ATOM 2136 N HIS A 143 16.676 -6.293 -3.873 1.00 0.00 N ATOM 2137 CA HIS A 143 17.078 -6.114 -2.475 1.00 0.00 C ATOM 2138 C HIS A 143 16.567 -4.794 -1.878 1.00 0.00 C ATOM 2139 O HIS A 143 15.850 -4.824 -0.878 1.00 0.00 O ATOM 2140 CB HIS A 143 18.605 -6.213 -2.368 1.00 0.00 C ATOM 2141 CG HIS A 143 19.123 -5.963 -0.972 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.241 -6.924 0.036 1.00 0.00 N ATOM 2143 CD2 HIS A 143 19.532 -4.755 -0.483 1.00 0.00 C ATOM 2144 CE1 HIS A 143 19.730 -6.271 1.107 1.00 0.00 C ATOM 2145 NE2 HIS A 143 19.917 -4.969 0.821 1.00 0.00 N ATOM 0 H HIS A 143 17.466 -6.337 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 143 16.618 -6.910 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 143 18.922 -7.204 -2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.058 -5.494 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.550 -3.816 -1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.943 -6.728 2.062 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.281 -4.263 1.460 1.00 0.00 H new ATOM 2153 N TRP A 144 16.878 -3.646 -2.492 1.00 0.00 N ATOM 2154 CA TRP A 144 16.447 -2.320 -2.020 1.00 0.00 C ATOM 2155 C TRP A 144 14.917 -2.228 -1.860 1.00 0.00 C ATOM 2156 O TRP A 144 14.420 -1.677 -0.878 1.00 0.00 O ATOM 2157 CB TRP A 144 16.978 -1.245 -2.981 1.00 0.00 C ATOM 2158 CG TRP A 144 16.659 0.175 -2.614 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.414 0.983 -1.833 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.505 0.982 -3.011 1.00 0.00 C ATOM 2161 NE1 TRP A 144 16.809 2.216 -1.703 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.619 2.266 -2.395 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.372 0.760 -3.825 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 14.653 3.266 -2.558 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.404 1.768 -4.008 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.543 3.015 -3.375 1.00 0.00 C ATOM 0 H TRP A 144 17.443 -3.609 -3.341 1.00 0.00 H new ATOM 0 HA TRP A 144 16.865 -2.153 -1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.061 -1.348 -3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.576 -1.443 -3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.353 0.703 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.194 2.991 -1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.246 -0.195 -4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 14.762 4.218 -2.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 12.548 1.581 -4.640 1.00 0.00 H new ATOM 0 HH2 TRP A 144 12.794 3.780 -3.518 1.00 0.00 H new ATOM 2177 N GLY A 145 14.164 -2.859 -2.766 1.00 0.00 N ATOM 2178 CA GLY A 145 12.706 -2.949 -2.710 1.00 0.00 C ATOM 2179 C GLY A 145 12.145 -3.731 -1.511 1.00 0.00 C ATOM 2180 O GLY A 145 10.997 -3.501 -1.130 1.00 0.00 O ATOM 0 H GLY A 145 14.563 -3.332 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.296 -1.939 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.351 -3.418 -3.628 1.00 0.00 H new ATOM 2184 N THR A 146 12.933 -4.600 -0.857 1.00 0.00 N ATOM 2185 CA THR A 146 12.543 -5.228 0.429 1.00 0.00 C ATOM 2186 C THR A 146 12.633 -4.266 1.623 1.00 0.00 C ATOM 2187 O THR A 146 12.033 -4.531 2.667 1.00 0.00 O ATOM 2188 CB THR A 146 13.368 -6.483 0.779 1.00 0.00 C ATOM 2189 OG1 THR A 146 14.704 -6.178 1.114 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.384 -7.531 -0.330 1.00 0.00 C ATOM 0 H THR A 146 13.851 -4.889 -1.195 1.00 0.00 H new ATOM 0 HA THR A 146 11.504 -5.514 0.262 1.00 0.00 H new ATOM 0 HB THR A 146 12.856 -6.899 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.153 -5.782 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 146 13.983 -8.385 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.365 -7.858 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 146 13.816 -7.099 -1.233 1.00 0.00 H new ATOM 2198 N LEU A 147 13.366 -3.151 1.483 1.00 0.00 N ATOM 2199 CA LEU A 147 13.631 -2.180 2.554 1.00 0.00 C ATOM 2200 C LEU A 147 12.589 -1.039 2.597 1.00 0.00 C ATOM 2201 O LEU A 147 12.608 -0.209 3.510 1.00 0.00 O ATOM 2202 CB LEU A 147 15.072 -1.652 2.418 1.00 0.00 C ATOM 2203 CG LEU A 147 16.155 -2.742 2.280 1.00 0.00 C ATOM 2204 CD1 LEU A 147 17.527 -2.098 2.115 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.216 -3.670 3.495 1.00 0.00 C ATOM 0 H LEU A 147 13.802 -2.894 0.598 1.00 0.00 H new ATOM 0 HA LEU A 147 13.533 -2.690 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.123 -0.998 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.303 -1.040 3.290 1.00 0.00 H new ATOM 0 HG LEU A 147 15.886 -3.332 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.285 -2.876 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 147 17.531 -1.474 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.748 -1.483 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 147 16.995 -4.417 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 147 16.442 -3.086 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.255 -4.168 3.621 1.00 0.00 H new ATOM 2217 N LEU A 148 11.679 -1.007 1.615 1.00 0.00 N ATOM 2218 CA LEU A 148 10.482 -0.161 1.574 1.00 0.00 C ATOM 2219 C LEU A 148 9.423 -0.628 2.611 1.00 0.00 C ATOM 2220 O LEU A 148 9.682 -1.518 3.431 1.00 0.00 O ATOM 2221 CB LEU A 148 9.929 -0.206 0.130 1.00 0.00 C ATOM 2222 CG LEU A 148 10.748 0.548 -0.939 1.00 0.00 C ATOM 2223 CD1 LEU A 148 10.172 0.229 -2.306 1.00 0.00 C ATOM 2224 CD2 LEU A 148 10.761 2.052 -0.679 1.00 0.00 C ATOM 0 H LEU A 148 11.763 -1.599 0.789 1.00 0.00 H new ATOM 0 HA LEU A 148 10.734 0.865 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 148 9.849 -1.250 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 148 8.918 0.202 0.138 1.00 0.00 H new ATOM 0 HG LEU A 148 11.786 0.218 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 148 10.741 0.755 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.230 -0.845 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 148 9.130 0.547 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 148 11.347 2.550 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 148 9.740 2.433 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 148 11.205 2.249 0.297 1.00 0.00 H new ATOM 2236 N SER A 149 8.226 -0.015 2.581 1.00 0.00 N ATOM 2237 CA SER A 149 7.063 -0.317 3.446 1.00 0.00 C ATOM 2238 C SER A 149 6.790 -1.817 3.647 1.00 0.00 C ATOM 2239 O SER A 149 6.736 -2.264 4.815 1.00 0.00 O ATOM 2240 CB SER A 149 5.810 0.364 2.893 1.00 0.00 C ATOM 2241 OG SER A 149 5.524 -0.271 1.669 1.00 0.00 O ATOM 2242 OXT SER A 149 6.553 -2.512 2.629 1.00 0.00 O1- ATOM 0 H SER A 149 8.030 0.740 1.924 1.00 0.00 H new ATOM 0 HA SER A 149 7.318 0.077 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 149 4.975 0.265 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.979 1.431 2.748 1.00 0.00 H new ATOM 0 HG SER A 149 5.169 0.386 1.035 1.00 0.00 H new